USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 660 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 79 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.47) USER MOD Set 1.2: A 84 SER OG : rot 179:sc= 0 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= -0.853 USER MOD Set 2.2: A 20 GLN : amide:sc= -0.838 K(o=-1.7,f=-3.2!) USER MOD Set 3.1: A 6 THR OG1 : rot 110:sc= -4.52! USER MOD Set 3.2: A 29 SER OG : rot 129:sc= -5.25! USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 23 SER OG : rot 42:sc= -0.0378 USER MOD Single : A 25 GLN : amide:sc=-0.00944 K(o=-0.0094,f=-1.6!) USER MOD Single : A 26 CYS SG : rot 170:sc= 0.53! USER MOD Single : A 32 SER OG : rot 140:sc= 0.0147 USER MOD Single : A 34 GLN : amide:sc= -0.535 X(o=-0.54,f=-0.27) USER MOD Single : A 46 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.52) USER MOD Single : A 48 ASN : amide:sc= -2.31 K(o=-2.3,f=-3.1!) USER MOD Single : A 50 MET CE :methyl -125:sc= -0.166 (180deg=-0.455) USER MOD Single : A 51 ASN : amide:sc=-0.00302 K(o=-0.003,f=-0.87) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-6.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 123:sc= 0.29 USER MOD Single : A 83 CYS SG : rot 180:sc= -0.0283 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 59.294 -10.334 15.220 1.00 0.00 N ATOM 45 CA GLU A 4 60.255 -10.672 14.174 1.00 0.00 C ATOM 46 C GLU A 4 60.677 -9.412 13.417 1.00 0.00 C ATOM 47 O GLU A 4 59.925 -8.441 13.349 1.00 0.00 O ATOM 48 CB GLU A 4 59.618 -11.669 13.197 1.00 0.00 C ATOM 49 CG GLU A 4 60.649 -12.125 12.159 1.00 0.00 C ATOM 50 CD GLU A 4 60.005 -13.112 11.192 1.00 0.00 C ATOM 51 OE1 GLU A 4 60.730 -13.714 10.418 1.00 0.00 O ATOM 52 OE2 GLU A 4 58.794 -13.251 11.240 1.00 0.00 O1- ATOM 0 HA GLU A 4 61.136 -11.120 14.633 1.00 0.00 H new ATOM 0 HB2 GLU A 4 59.236 -12.531 13.744 1.00 0.00 H new ATOM 0 HB3 GLU A 4 58.768 -11.206 12.697 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.034 -11.264 11.612 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.499 -12.592 12.657 1.00 0.00 H new ATOM 59 N VAL A 5 61.875 -9.439 12.844 1.00 0.00 N ATOM 60 CA VAL A 5 62.376 -8.294 12.088 1.00 0.00 C ATOM 61 C VAL A 5 61.537 -8.129 10.827 1.00 0.00 C ATOM 62 O VAL A 5 61.285 -9.114 10.132 1.00 0.00 O ATOM 63 CB VAL A 5 63.843 -8.541 11.696 1.00 0.00 C ATOM 64 CG1 VAL A 5 64.533 -7.205 11.395 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.568 -9.282 12.837 1.00 0.00 C ATOM 0 H VAL A 5 62.514 -10.233 12.887 1.00 0.00 H new ATOM 0 HA VAL A 5 62.311 -7.392 12.697 1.00 0.00 H new ATOM 0 HB VAL A 5 63.880 -9.160 10.799 1.00 0.00 H new ATOM 0 HG11 VAL A 5 65.572 -7.386 11.118 1.00 0.00 H new ATOM 0 HG12 VAL A 5 64.019 -6.708 10.572 1.00 0.00 H new ATOM 0 HG13 VAL A 5 64.499 -6.570 12.281 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.607 -9.455 12.556 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.533 -8.677 13.743 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.077 -10.238 13.020 1.00 0.00 H new ATOM 75 N THR A 6 61.093 -6.906 10.513 1.00 0.00 N ATOM 76 CA THR A 6 60.273 -6.741 9.292 1.00 0.00 C ATOM 77 C THR A 6 61.161 -6.445 8.092 1.00 0.00 C ATOM 78 O THR A 6 61.997 -5.541 8.128 1.00 0.00 O ATOM 79 CB THR A 6 59.222 -5.637 9.456 1.00 0.00 C ATOM 80 OG1 THR A 6 59.863 -4.422 9.777 1.00 0.00 O ATOM 81 CG2 THR A 6 58.222 -6.015 10.563 1.00 0.00 C ATOM 0 H THR A 6 61.270 -6.056 11.048 1.00 0.00 H new ATOM 0 HA THR A 6 59.745 -7.680 9.124 1.00 0.00 H new ATOM 0 HB THR A 6 58.676 -5.521 8.520 1.00 0.00 H new ATOM 0 HG1 THR A 6 59.798 -3.807 9.017 1.00 0.00 H new ATOM 0 HG21 THR A 6 57.481 -5.223 10.670 1.00 0.00 H new ATOM 0 HG22 THR A 6 57.722 -6.947 10.299 1.00 0.00 H new ATOM 0 HG23 THR A 6 58.754 -6.143 11.506 1.00 0.00 H new ATOM 89 N ILE A 7 60.987 -7.236 7.033 1.00 0.00 N ATOM 90 CA ILE A 7 61.787 -7.087 5.816 1.00 0.00 C ATOM 91 C ILE A 7 60.970 -6.428 4.707 1.00 0.00 C ATOM 92 O ILE A 7 60.932 -6.909 3.577 1.00 0.00 O ATOM 93 CB ILE A 7 62.255 -8.468 5.353 1.00 0.00 C ATOM 94 CG1 ILE A 7 62.810 -9.243 6.556 1.00 0.00 C ATOM 95 CG2 ILE A 7 63.340 -8.338 4.272 1.00 0.00 C ATOM 96 CD1 ILE A 7 63.896 -8.426 7.266 1.00 0.00 C ATOM 0 H ILE A 7 60.298 -7.987 6.993 1.00 0.00 H new ATOM 0 HA ILE A 7 62.646 -6.453 6.035 1.00 0.00 H new ATOM 0 HB ILE A 7 61.408 -9.005 4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 7 62.004 -9.470 7.253 1.00 0.00 H new ATOM 0 HG13 ILE A 7 63.222 -10.196 6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 7 63.660 -9.331 3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 7 62.938 -7.797 3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 7 64.193 -7.794 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.278 -8.991 8.116 1.00 0.00 H new ATOM 0 HD12 ILE A 7 64.710 -8.221 6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 7 63.473 -7.485 7.616 1.00 0.00 H new ATOM 108 N LEU A 8 60.322 -5.318 5.035 1.00 0.00 N ATOM 109 CA LEU A 8 59.519 -4.596 4.049 1.00 0.00 C ATOM 110 C LEU A 8 60.406 -3.599 3.309 1.00 0.00 C ATOM 111 O LEU A 8 60.431 -2.414 3.635 1.00 0.00 O ATOM 112 CB LEU A 8 58.372 -3.850 4.740 1.00 0.00 C ATOM 113 CG LEU A 8 57.440 -4.844 5.454 1.00 0.00 C ATOM 114 CD1 LEU A 8 56.407 -4.066 6.274 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.706 -5.725 4.427 1.00 0.00 C ATOM 0 H LEU A 8 60.334 -4.899 5.965 1.00 0.00 H new ATOM 0 HA LEU A 8 59.097 -5.310 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 8 58.775 -3.137 5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.808 -3.276 4.005 1.00 0.00 H new ATOM 0 HG LEU A 8 58.037 -5.481 6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.744 -4.766 6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.919 -3.449 7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.822 -3.428 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 8 56.051 -6.423 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.112 -5.095 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.435 -6.282 3.839 1.00 0.00 H new ATOM 127 N GLU A 9 61.143 -4.100 2.319 1.00 0.00 N ATOM 128 CA GLU A 9 62.055 -3.267 1.530 1.00 0.00 C ATOM 129 C GLU A 9 61.551 -3.128 0.086 1.00 0.00 C ATOM 130 O GLU A 9 61.811 -4.003 -0.740 1.00 0.00 O ATOM 131 CB GLU A 9 63.438 -3.920 1.511 1.00 0.00 C ATOM 132 CG GLU A 9 63.823 -4.341 2.931 1.00 0.00 C ATOM 133 CD GLU A 9 65.248 -4.879 2.943 1.00 0.00 C ATOM 134 OE1 GLU A 9 66.084 -4.270 3.590 1.00 0.00 O ATOM 135 OE2 GLU A 9 65.483 -5.893 2.305 1.00 0.00 O1- ATOM 0 H GLU A 9 61.128 -5.082 2.042 1.00 0.00 H new ATOM 0 HA GLU A 9 62.106 -2.277 1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.433 -4.788 0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 9 64.176 -3.223 1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 9 63.740 -3.490 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 9 63.134 -5.104 3.293 1.00 0.00 H new ATOM 142 N PRO A 10 60.859 -2.057 -0.250 1.00 0.00 N ATOM 143 CA PRO A 10 60.358 -1.853 -1.640 1.00 0.00 C ATOM 144 C PRO A 10 61.508 -1.592 -2.620 1.00 0.00 C ATOM 145 O PRO A 10 61.321 -0.956 -3.658 1.00 0.00 O ATOM 146 CB PRO A 10 59.389 -0.647 -1.550 1.00 0.00 C ATOM 147 CG PRO A 10 59.357 -0.213 -0.104 1.00 0.00 C ATOM 148 CD PRO A 10 60.486 -0.945 0.636 1.00 0.00 C ATOM 0 HA PRO A 10 59.854 -2.740 -2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 10 59.727 0.168 -2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 10 58.392 -0.927 -1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 10 59.488 0.866 -0.027 1.00 0.00 H new ATOM 0 HG3 PRO A 10 58.392 -0.450 0.344 1.00 0.00 H new ATOM 0 HD2 PRO A 10 61.333 -0.284 0.818 1.00 0.00 H new ATOM 0 HD3 PRO A 10 60.151 -1.309 1.607 1.00 0.00 H new ATOM 156 N LEU A 11 62.691 -2.090 -2.275 1.00 0.00 N ATOM 157 CA LEU A 11 63.867 -1.914 -3.120 1.00 0.00 C ATOM 158 C LEU A 11 63.762 -2.797 -4.363 1.00 0.00 C ATOM 159 O LEU A 11 63.574 -4.010 -4.264 1.00 0.00 O ATOM 160 CB LEU A 11 65.127 -2.290 -2.317 1.00 0.00 C ATOM 161 CG LEU A 11 65.630 -1.095 -1.484 1.00 0.00 C ATOM 162 CD1 LEU A 11 66.281 -0.030 -2.391 1.00 0.00 C ATOM 163 CD2 LEU A 11 64.460 -0.474 -0.702 1.00 0.00 C ATOM 0 H LEU A 11 62.861 -2.617 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 11 63.930 -0.873 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 11 64.905 -3.129 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.912 -2.619 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 11 66.382 -1.455 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 11 66.629 0.804 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 11 67.127 -0.470 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 11 65.548 0.329 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.822 0.370 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 11 63.697 -0.130 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 11 64.030 -1.222 -0.035 1.00 0.00 H new ATOM 175 N GLN A 12 63.893 -2.173 -5.534 1.00 0.00 N ATOM 176 CA GLN A 12 63.820 -2.892 -6.811 1.00 0.00 C ATOM 177 C GLN A 12 64.969 -2.464 -7.725 1.00 0.00 C ATOM 178 O GLN A 12 66.026 -2.050 -7.250 1.00 0.00 O ATOM 179 CB GLN A 12 62.470 -2.616 -7.482 1.00 0.00 C ATOM 180 CG GLN A 12 62.312 -1.115 -7.746 1.00 0.00 C ATOM 181 CD GLN A 12 60.970 -0.840 -8.416 1.00 0.00 C ATOM 182 OE1 GLN A 12 60.207 -1.770 -8.686 1.00 0.00 O ATOM 183 NE2 GLN A 12 60.634 0.389 -8.702 1.00 0.00 N ATOM 0 H GLN A 12 64.051 -1.170 -5.627 1.00 0.00 H new ATOM 0 HA GLN A 12 63.910 -3.962 -6.625 1.00 0.00 H new ATOM 0 HB2 GLN A 12 62.401 -3.168 -8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 12 61.659 -2.969 -6.845 1.00 0.00 H new ATOM 0 HG2 GLN A 12 62.379 -0.564 -6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 12 63.124 -0.762 -8.382 1.00 0.00 H new ATOM 0 HE21 GLN A 12 61.267 1.156 -8.477 1.00 0.00 H new ATOM 0 HE22 GLN A 12 59.738 0.582 -9.150 1.00 0.00 H new ATOM 192 N ASP A 13 64.758 -2.559 -9.041 1.00 0.00 N ATOM 193 CA ASP A 13 65.789 -2.175 -10.011 1.00 0.00 C ATOM 194 C ASP A 13 65.422 -0.853 -10.675 1.00 0.00 C ATOM 195 O ASP A 13 64.295 -0.670 -11.134 1.00 0.00 O ATOM 196 CB ASP A 13 65.932 -3.255 -11.089 1.00 0.00 C ATOM 197 CG ASP A 13 64.585 -3.526 -11.752 1.00 0.00 C ATOM 198 OD1 ASP A 13 64.586 -3.976 -12.885 1.00 0.00 O ATOM 199 OD2 ASP A 13 63.573 -3.288 -11.114 1.00 0.00 O1- ATOM 0 H ASP A 13 63.890 -2.896 -9.457 1.00 0.00 H new ATOM 0 HA ASP A 13 66.734 -2.065 -9.480 1.00 0.00 H new ATOM 0 HB2 ASP A 13 66.656 -2.936 -11.839 1.00 0.00 H new ATOM 0 HB3 ASP A 13 66.317 -4.173 -10.645 1.00 0.00 H new ATOM 204 N VAL A 14 66.380 0.074 -10.721 1.00 0.00 N ATOM 205 CA VAL A 14 66.150 1.384 -11.329 1.00 0.00 C ATOM 206 C VAL A 14 67.295 1.758 -12.266 1.00 0.00 C ATOM 207 O VAL A 14 68.428 1.310 -12.094 1.00 0.00 O ATOM 208 CB VAL A 14 66.050 2.448 -10.233 1.00 0.00 C ATOM 209 CG1 VAL A 14 64.836 2.170 -9.346 1.00 0.00 C ATOM 210 CG2 VAL A 14 67.315 2.406 -9.376 1.00 0.00 C ATOM 0 H VAL A 14 67.319 -0.058 -10.346 1.00 0.00 H new ATOM 0 HA VAL A 14 65.222 1.335 -11.899 1.00 0.00 H new ATOM 0 HB VAL A 14 65.943 3.430 -10.694 1.00 0.00 H new ATOM 0 HG11 VAL A 14 64.772 2.931 -8.569 1.00 0.00 H new ATOM 0 HG12 VAL A 14 63.930 2.192 -9.952 1.00 0.00 H new ATOM 0 HG13 VAL A 14 64.940 1.188 -8.885 1.00 0.00 H new ATOM 0 HG21 VAL A 14 67.250 3.162 -8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 14 67.414 1.420 -8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 14 68.185 2.606 -10.001 1.00 0.00 H new ATOM 220 N GLN A 15 66.987 2.614 -13.237 1.00 0.00 N ATOM 221 CA GLN A 15 67.982 3.099 -14.194 1.00 0.00 C ATOM 222 C GLN A 15 67.950 4.620 -14.201 1.00 0.00 C ATOM 223 O GLN A 15 66.960 5.223 -14.613 1.00 0.00 O ATOM 224 CB GLN A 15 67.671 2.591 -15.605 1.00 0.00 C ATOM 225 CG GLN A 15 67.952 1.092 -15.716 1.00 0.00 C ATOM 226 CD GLN A 15 67.555 0.603 -17.105 1.00 0.00 C ATOM 227 OE1 GLN A 15 67.201 1.406 -17.969 1.00 0.00 O ATOM 228 NE2 GLN A 15 67.580 -0.673 -17.371 1.00 0.00 N ATOM 0 H GLN A 15 66.050 2.989 -13.384 1.00 0.00 H new ATOM 0 HA GLN A 15 68.965 2.733 -13.898 1.00 0.00 H new ATOM 0 HB2 GLN A 15 66.626 2.789 -15.846 1.00 0.00 H new ATOM 0 HB3 GLN A 15 68.274 3.134 -16.333 1.00 0.00 H new ATOM 0 HG2 GLN A 15 69.009 0.895 -15.538 1.00 0.00 H new ATOM 0 HG3 GLN A 15 67.393 0.549 -14.954 1.00 0.00 H new ATOM 0 HE21 GLN A 15 67.873 -1.338 -16.655 1.00 0.00 H new ATOM 0 HE22 GLN A 15 67.306 -1.007 -18.295 1.00 0.00 H new ATOM 237 N LEU A 16 69.028 5.240 -13.730 1.00 0.00 N ATOM 238 CA LEU A 16 69.107 6.701 -13.675 1.00 0.00 C ATOM 239 C LEU A 16 70.122 7.216 -14.682 1.00 0.00 C ATOM 240 O LEU A 16 71.241 6.711 -14.757 1.00 0.00 O ATOM 241 CB LEU A 16 69.537 7.139 -12.277 1.00 0.00 C ATOM 242 CG LEU A 16 68.527 6.646 -11.238 1.00 0.00 C ATOM 243 CD1 LEU A 16 69.125 6.842 -9.845 1.00 0.00 C ATOM 244 CD2 LEU A 16 67.213 7.437 -11.349 1.00 0.00 C ATOM 0 H LEU A 16 69.857 4.758 -13.382 1.00 0.00 H new ATOM 0 HA LEU A 16 68.124 7.109 -13.911 1.00 0.00 H new ATOM 0 HB2 LEU A 16 70.526 6.741 -12.051 1.00 0.00 H new ATOM 0 HB3 LEU A 16 69.613 8.226 -12.235 1.00 0.00 H new ATOM 0 HG LEU A 16 68.312 5.592 -11.413 1.00 0.00 H new ATOM 0 HD11 LEU A 16 68.417 6.495 -9.093 1.00 0.00 H new ATOM 0 HD12 LEU A 16 70.050 6.271 -9.763 1.00 0.00 H new ATOM 0 HD13 LEU A 16 69.335 7.899 -9.685 1.00 0.00 H new ATOM 0 HD21 LEU A 16 66.506 7.074 -10.603 1.00 0.00 H new ATOM 0 HD22 LEU A 16 67.410 8.495 -11.178 1.00 0.00 H new ATOM 0 HD23 LEU A 16 66.791 7.303 -12.345 1.00 0.00 H new ATOM 256 N SER A 17 69.735 8.232 -15.443 1.00 0.00 N ATOM 257 CA SER A 17 70.635 8.808 -16.429 1.00 0.00 C ATOM 258 C SER A 17 71.713 9.619 -15.719 1.00 0.00 C ATOM 259 O SER A 17 71.556 9.987 -14.556 1.00 0.00 O ATOM 260 CB SER A 17 69.860 9.711 -17.389 1.00 0.00 C ATOM 261 OG SER A 17 69.502 10.915 -16.723 1.00 0.00 O ATOM 0 H SER A 17 68.814 8.669 -15.397 1.00 0.00 H new ATOM 0 HA SER A 17 71.099 8.004 -17.000 1.00 0.00 H new ATOM 0 HB2 SER A 17 70.468 9.935 -18.265 1.00 0.00 H new ATOM 0 HB3 SER A 17 68.965 9.199 -17.744 1.00 0.00 H new ATOM 0 HG SER A 17 69.006 11.494 -17.339 1.00 0.00 H new ATOM 267 N GLU A 18 72.804 9.898 -16.413 1.00 0.00 N ATOM 268 CA GLU A 18 73.881 10.667 -15.811 1.00 0.00 C ATOM 269 C GLU A 18 73.399 12.075 -15.467 1.00 0.00 C ATOM 270 O GLU A 18 72.610 12.666 -16.203 1.00 0.00 O ATOM 271 CB GLU A 18 75.070 10.737 -16.766 1.00 0.00 C ATOM 272 CG GLU A 18 76.208 11.515 -16.104 1.00 0.00 C ATOM 273 CD GLU A 18 77.451 11.462 -16.982 1.00 0.00 C ATOM 274 OE1 GLU A 18 78.505 11.845 -16.504 1.00 0.00 O ATOM 275 OE2 GLU A 18 77.330 11.036 -18.119 1.00 0.00 O1- ATOM 0 H GLU A 18 72.967 9.609 -17.378 1.00 0.00 H new ATOM 0 HA GLU A 18 74.194 10.172 -14.892 1.00 0.00 H new ATOM 0 HB2 GLU A 18 75.404 9.732 -17.023 1.00 0.00 H new ATOM 0 HB3 GLU A 18 74.775 11.223 -17.696 1.00 0.00 H new ATOM 0 HG2 GLU A 18 75.908 12.551 -15.945 1.00 0.00 H new ATOM 0 HG3 GLU A 18 76.427 11.093 -15.123 1.00 0.00 H new ATOM 282 N GLY A 19 73.876 12.600 -14.342 1.00 0.00 N ATOM 283 CA GLY A 19 73.488 13.940 -13.900 1.00 0.00 C ATOM 284 C GLY A 19 72.276 13.884 -12.972 1.00 0.00 C ATOM 285 O GLY A 19 71.841 14.906 -12.443 1.00 0.00 O ATOM 0 H GLY A 19 74.529 12.122 -13.721 1.00 0.00 H new ATOM 0 HA2 GLY A 19 74.324 14.412 -13.383 1.00 0.00 H new ATOM 0 HA3 GLY A 19 73.258 14.560 -14.767 1.00 0.00 H new ATOM 289 N GLN A 20 71.736 12.680 -12.772 1.00 0.00 N ATOM 290 CA GLN A 20 70.573 12.496 -11.896 1.00 0.00 C ATOM 291 C GLN A 20 70.990 11.905 -10.556 1.00 0.00 C ATOM 292 O GLN A 20 71.849 11.028 -10.490 1.00 0.00 O ATOM 293 CB GLN A 20 69.545 11.572 -12.553 1.00 0.00 C ATOM 294 CG GLN A 20 68.871 12.301 -13.713 1.00 0.00 C ATOM 295 CD GLN A 20 67.894 11.363 -14.412 1.00 0.00 C ATOM 296 OE1 GLN A 20 67.759 10.203 -14.020 1.00 0.00 O ATOM 297 NE2 GLN A 20 67.186 11.802 -15.415 1.00 0.00 N ATOM 0 H GLN A 20 72.082 11.822 -13.201 1.00 0.00 H new ATOM 0 HA GLN A 20 70.126 13.476 -11.731 1.00 0.00 H new ATOM 0 HB2 GLN A 20 70.033 10.666 -12.913 1.00 0.00 H new ATOM 0 HB3 GLN A 20 68.799 11.263 -11.821 1.00 0.00 H new ATOM 0 HG2 GLN A 20 68.344 13.181 -13.345 1.00 0.00 H new ATOM 0 HG3 GLN A 20 69.622 12.652 -14.420 1.00 0.00 H new ATOM 0 HE21 GLN A 20 67.300 12.763 -15.738 1.00 0.00 H new ATOM 0 HE22 GLN A 20 66.518 11.185 -15.877 1.00 0.00 H new ATOM 306 N ASP A 21 70.362 12.392 -9.494 1.00 0.00 N ATOM 307 CA ASP A 21 70.657 11.914 -8.149 1.00 0.00 C ATOM 308 C ASP A 21 69.975 10.572 -7.900 1.00 0.00 C ATOM 309 O ASP A 21 69.198 10.095 -8.728 1.00 0.00 O ATOM 310 CB ASP A 21 70.170 12.932 -7.116 1.00 0.00 C ATOM 311 CG ASP A 21 71.093 14.147 -7.090 1.00 0.00 C ATOM 312 OD1 ASP A 21 70.674 15.170 -6.573 1.00 0.00 O ATOM 313 OD2 ASP A 21 72.206 14.035 -7.578 1.00 0.00 O1- ATOM 0 H ASP A 21 69.646 13.117 -9.537 1.00 0.00 H new ATOM 0 HA ASP A 21 71.736 11.787 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.154 13.245 -7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.138 12.471 -6.129 1.00 0.00 H new ATOM 318 N ALA A 22 70.272 9.966 -6.750 1.00 0.00 N ATOM 319 CA ALA A 22 69.685 8.673 -6.393 1.00 0.00 C ATOM 320 C ALA A 22 69.433 8.591 -4.891 1.00 0.00 C ATOM 321 O ALA A 22 70.148 9.199 -4.094 1.00 0.00 O ATOM 322 CB ALA A 22 70.627 7.544 -6.813 1.00 0.00 C ATOM 0 H ALA A 22 70.912 10.347 -6.053 1.00 0.00 H new ATOM 0 HA ALA A 22 68.733 8.571 -6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 22 70.186 6.584 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 22 70.784 7.583 -7.891 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.583 7.659 -6.303 1.00 0.00 H new ATOM 328 N SER A 23 68.410 7.832 -4.514 1.00 0.00 N ATOM 329 CA SER A 23 68.059 7.666 -3.109 1.00 0.00 C ATOM 330 C SER A 23 67.160 6.453 -2.937 1.00 0.00 C ATOM 331 O SER A 23 66.465 6.045 -3.867 1.00 0.00 O ATOM 332 CB SER A 23 67.330 8.907 -2.599 1.00 0.00 C ATOM 333 OG SER A 23 66.948 8.700 -1.244 1.00 0.00 O ATOM 0 H SER A 23 67.809 7.322 -5.162 1.00 0.00 H new ATOM 0 HA SER A 23 68.976 7.524 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 23 67.976 9.781 -2.678 1.00 0.00 H new ATOM 0 HB3 SER A 23 66.450 9.104 -3.212 1.00 0.00 H new ATOM 0 HG SER A 23 67.680 8.264 -0.761 1.00 0.00 H new ATOM 339 N PHE A 24 67.171 5.885 -1.740 1.00 0.00 N ATOM 340 CA PHE A 24 66.343 4.722 -1.438 1.00 0.00 C ATOM 341 C PHE A 24 65.681 4.904 -0.079 1.00 0.00 C ATOM 342 O PHE A 24 66.193 5.621 0.779 1.00 0.00 O ATOM 343 CB PHE A 24 67.188 3.450 -1.402 1.00 0.00 C ATOM 344 CG PHE A 24 67.842 3.190 -2.745 1.00 0.00 C ATOM 345 CD1 PHE A 24 69.235 3.291 -2.882 1.00 0.00 C ATOM 346 CD2 PHE A 24 67.058 2.828 -3.847 1.00 0.00 C ATOM 347 CE1 PHE A 24 69.841 3.020 -4.115 1.00 0.00 C ATOM 348 CE2 PHE A 24 67.667 2.563 -5.083 1.00 0.00 C ATOM 349 CZ PHE A 24 69.059 2.659 -5.216 1.00 0.00 C ATOM 0 H PHE A 24 67.744 6.209 -0.961 1.00 0.00 H new ATOM 0 HA PHE A 24 65.588 4.630 -2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 24 67.955 3.541 -0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 24 66.561 2.601 -1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 24 69.841 3.578 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 24 65.985 2.753 -3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 24 70.914 3.090 -4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 24 67.062 2.285 -5.933 1.00 0.00 H new ATOM 0 HZ PHE A 24 69.527 2.454 -6.168 1.00 0.00 H new ATOM 359 N GLN A 25 64.550 4.237 0.116 1.00 0.00 N ATOM 360 CA GLN A 25 63.828 4.311 1.387 1.00 0.00 C ATOM 361 C GLN A 25 63.304 2.931 1.757 1.00 0.00 C ATOM 362 O GLN A 25 62.456 2.373 1.060 1.00 0.00 O ATOM 363 CB GLN A 25 62.663 5.295 1.284 1.00 0.00 C ATOM 364 CG GLN A 25 61.970 5.394 2.646 1.00 0.00 C ATOM 365 CD GLN A 25 60.894 6.474 2.612 1.00 0.00 C ATOM 366 OE1 GLN A 25 60.857 7.283 1.686 1.00 0.00 O ATOM 367 NE2 GLN A 25 60.022 6.547 3.582 1.00 0.00 N ATOM 0 H GLN A 25 64.111 3.640 -0.585 1.00 0.00 H new ATOM 0 HA GLN A 25 64.512 4.661 2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 25 63.025 6.275 0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 25 61.955 4.962 0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 25 61.524 4.434 2.906 1.00 0.00 H new ATOM 0 HG3 GLN A 25 62.703 5.625 3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 25 60.055 5.875 4.349 1.00 0.00 H new ATOM 0 HE22 GLN A 25 59.309 7.276 3.573 1.00 0.00 H new ATOM 376 N CYS A 26 63.831 2.375 2.847 1.00 0.00 N ATOM 377 CA CYS A 26 63.435 1.039 3.299 1.00 0.00 C ATOM 378 C CYS A 26 62.641 1.110 4.603 1.00 0.00 C ATOM 379 O CYS A 26 62.853 1.999 5.426 1.00 0.00 O ATOM 380 CB CYS A 26 64.695 0.179 3.508 1.00 0.00 C ATOM 381 SG CYS A 26 66.004 0.766 2.408 1.00 0.00 S ATOM 0 H CYS A 26 64.532 2.827 3.434 1.00 0.00 H new ATOM 0 HA CYS A 26 62.797 0.591 2.537 1.00 0.00 H new ATOM 0 HB2 CYS A 26 65.022 0.238 4.546 1.00 0.00 H new ATOM 0 HB3 CYS A 26 64.473 -0.868 3.303 1.00 0.00 H new ATOM 0 HG CYS A 26 67.128 0.197 2.729 1.00 0.00 H new ATOM 387 N ARG A 27 61.743 0.146 4.785 1.00 0.00 N ATOM 388 CA ARG A 27 60.926 0.065 5.996 1.00 0.00 C ATOM 389 C ARG A 27 61.311 -1.200 6.754 1.00 0.00 C ATOM 390 O ARG A 27 60.794 -2.280 6.466 1.00 0.00 O ATOM 391 CB ARG A 27 59.442 -0.006 5.624 1.00 0.00 C ATOM 392 CG ARG A 27 59.011 1.292 4.940 1.00 0.00 C ATOM 393 CD ARG A 27 57.535 1.186 4.551 1.00 0.00 C ATOM 394 NE ARG A 27 57.100 2.396 3.857 1.00 0.00 N ATOM 395 CZ ARG A 27 56.635 3.451 4.522 1.00 0.00 C ATOM 396 NH1 ARG A 27 56.537 3.423 5.823 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 56.275 4.520 3.866 1.00 0.00 N ATOM 0 H ARG A 27 61.561 -0.594 4.107 1.00 0.00 H new ATOM 0 HA ARG A 27 61.096 0.948 6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 27 59.265 -0.852 4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 27 58.842 -0.172 6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 27 59.164 2.139 5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.621 1.471 4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 27 57.383 0.318 3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 27 56.928 1.033 5.443 1.00 0.00 H new ATOM 0 HE ARG A 27 57.154 2.433 2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 27 56.818 2.588 6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 27 56.180 4.236 6.325 1.00 0.00 H new ATOM 0 HH21 ARG A 27 56.351 4.544 2.849 1.00 0.00 H new ATOM 0 HH22 ARG A 27 55.918 5.332 4.370 1.00 0.00 H new ATOM 411 N LEU A 28 62.244 -1.075 7.703 1.00 0.00 N ATOM 412 CA LEU A 28 62.712 -2.240 8.467 1.00 0.00 C ATOM 413 C LEU A 28 62.444 -2.085 9.959 1.00 0.00 C ATOM 414 O LEU A 28 62.988 -1.192 10.603 1.00 0.00 O ATOM 415 CB LEU A 28 64.222 -2.405 8.258 1.00 0.00 C ATOM 416 CG LEU A 28 64.521 -2.705 6.780 1.00 0.00 C ATOM 417 CD1 LEU A 28 66.035 -2.631 6.546 1.00 0.00 C ATOM 418 CD2 LEU A 28 64.009 -4.110 6.403 1.00 0.00 C ATOM 0 H LEU A 28 62.686 -0.192 7.960 1.00 0.00 H new ATOM 0 HA LEU A 28 62.167 -3.113 8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.741 -1.497 8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.597 -3.214 8.885 1.00 0.00 H new ATOM 0 HG LEU A 28 64.013 -1.968 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.252 -2.843 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.393 -1.632 6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.537 -3.365 7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 28 64.228 -4.308 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.504 -4.856 7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 28 62.932 -4.160 6.565 1.00 0.00 H new ATOM 430 N SER A 29 61.640 -2.993 10.514 1.00 0.00 N ATOM 431 CA SER A 29 61.360 -2.964 11.947 1.00 0.00 C ATOM 432 C SER A 29 62.563 -3.514 12.690 1.00 0.00 C ATOM 433 O SER A 29 63.406 -4.186 12.087 1.00 0.00 O ATOM 434 CB SER A 29 60.121 -3.777 12.305 1.00 0.00 C ATOM 435 OG SER A 29 60.369 -5.146 12.033 1.00 0.00 O ATOM 0 H SER A 29 61.179 -3.745 10.002 1.00 0.00 H new ATOM 0 HA SER A 29 61.166 -1.931 12.237 1.00 0.00 H new ATOM 0 HB2 SER A 29 59.874 -3.642 13.358 1.00 0.00 H new ATOM 0 HB3 SER A 29 59.264 -3.429 11.729 1.00 0.00 H new ATOM 0 HG SER A 29 60.142 -5.682 12.821 1.00 0.00 H new ATOM 441 N ARG A 30 62.644 -3.208 13.981 1.00 0.00 N ATOM 442 CA ARG A 30 63.781 -3.614 14.805 1.00 0.00 C ATOM 443 C ARG A 30 64.125 -5.093 14.706 1.00 0.00 C ATOM 444 O ARG A 30 63.340 -5.916 14.234 1.00 0.00 O ATOM 445 CB ARG A 30 63.501 -3.285 16.271 1.00 0.00 C ATOM 446 CG ARG A 30 62.250 -4.029 16.755 1.00 0.00 C ATOM 447 CD ARG A 30 62.084 -3.809 18.261 1.00 0.00 C ATOM 448 NE ARG A 30 61.794 -2.406 18.554 1.00 0.00 N ATOM 449 CZ ARG A 30 60.545 -1.950 18.583 1.00 0.00 C ATOM 450 NH1 ARG A 30 60.003 -1.444 17.509 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 59.863 -2.012 19.692 1.00 0.00 N ATOM 0 H ARG A 30 61.932 -2.677 14.483 1.00 0.00 H new ATOM 0 HA ARG A 30 64.636 -3.057 14.421 1.00 0.00 H new ATOM 0 HB2 ARG A 30 64.358 -3.565 16.883 1.00 0.00 H new ATOM 0 HB3 ARG A 30 63.362 -2.210 16.389 1.00 0.00 H new ATOM 0 HG2 ARG A 30 61.369 -3.668 16.224 1.00 0.00 H new ATOM 0 HG3 ARG A 30 62.339 -5.094 16.539 1.00 0.00 H new ATOM 0 HD2 ARG A 30 61.277 -4.438 18.638 1.00 0.00 H new ATOM 0 HD3 ARG A 30 62.993 -4.113 18.779 1.00 0.00 H new ATOM 0 HE ARG A 30 62.565 -1.764 18.740 1.00 0.00 H new ATOM 0 HH11 ARG A 30 60.538 -1.397 16.642 1.00 0.00 H new ATOM 0 HH12 ARG A 30 59.045 -1.096 17.537 1.00 0.00 H new ATOM 0 HH21 ARG A 30 60.288 -2.408 20.530 1.00 0.00 H new ATOM 0 HH22 ARG A 30 58.905 -1.664 19.721 1.00 0.00 H new ATOM 465 N ALA A 31 65.340 -5.391 15.166 1.00 0.00 N ATOM 466 CA ALA A 31 65.870 -6.743 15.157 1.00 0.00 C ATOM 467 C ALA A 31 65.384 -7.523 16.375 1.00 0.00 C ATOM 468 O ALA A 31 64.846 -6.949 17.322 1.00 0.00 O ATOM 469 CB ALA A 31 67.401 -6.692 15.159 1.00 0.00 C ATOM 0 H ALA A 31 65.980 -4.698 15.554 1.00 0.00 H new ATOM 0 HA ALA A 31 65.517 -7.249 14.258 1.00 0.00 H new ATOM 0 HB1 ALA A 31 67.799 -7.707 15.152 1.00 0.00 H new ATOM 0 HB2 ALA A 31 67.748 -6.160 14.273 1.00 0.00 H new ATOM 0 HB3 ALA A 31 67.747 -6.173 16.053 1.00 0.00 H new ATOM 475 N SER A 32 65.589 -8.834 16.345 1.00 0.00 N ATOM 476 CA SER A 32 65.185 -9.699 17.448 1.00 0.00 C ATOM 477 C SER A 32 66.095 -10.916 17.482 1.00 0.00 C ATOM 478 O SER A 32 66.799 -11.153 18.464 1.00 0.00 O ATOM 479 CB SER A 32 63.729 -10.133 17.275 1.00 0.00 C ATOM 480 OG SER A 32 63.502 -10.483 15.916 1.00 0.00 O ATOM 0 H SER A 32 66.033 -9.323 15.568 1.00 0.00 H new ATOM 0 HA SER A 32 65.270 -9.154 18.388 1.00 0.00 H new ATOM 0 HB2 SER A 32 63.511 -10.982 17.923 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.059 -9.326 17.572 1.00 0.00 H new ATOM 0 HG SER A 32 62.930 -11.278 15.874 1.00 0.00 H new ATOM 486 N GLY A 33 66.095 -11.670 16.386 1.00 0.00 N ATOM 487 CA GLY A 33 66.947 -12.850 16.275 1.00 0.00 C ATOM 488 C GLY A 33 68.284 -12.459 15.657 1.00 0.00 C ATOM 489 O GLY A 33 69.311 -12.428 16.337 1.00 0.00 O ATOM 0 H GLY A 33 65.517 -11.486 15.566 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.105 -13.291 17.259 1.00 0.00 H new ATOM 0 HA3 GLY A 33 66.459 -13.607 15.661 1.00 0.00 H new ATOM 493 N GLN A 34 68.257 -12.143 14.361 1.00 0.00 N ATOM 494 CA GLN A 34 69.462 -11.729 13.639 1.00 0.00 C ATOM 495 C GLN A 34 69.254 -10.342 13.031 1.00 0.00 C ATOM 496 O GLN A 34 68.196 -10.051 12.475 1.00 0.00 O ATOM 497 CB GLN A 34 69.777 -12.747 12.536 1.00 0.00 C ATOM 498 CG GLN A 34 71.193 -12.519 11.996 1.00 0.00 C ATOM 499 CD GLN A 34 72.225 -12.836 13.077 1.00 0.00 C ATOM 500 OE1 GLN A 34 73.144 -12.050 13.304 1.00 0.00 O ATOM 501 NE2 GLN A 34 72.125 -13.943 13.762 1.00 0.00 N ATOM 0 H GLN A 34 67.413 -12.166 13.789 1.00 0.00 H new ATOM 0 HA GLN A 34 70.301 -11.685 14.334 1.00 0.00 H new ATOM 0 HB2 GLN A 34 69.688 -13.760 12.929 1.00 0.00 H new ATOM 0 HB3 GLN A 34 69.052 -12.654 11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 34 71.364 -13.150 11.123 1.00 0.00 H new ATOM 0 HG3 GLN A 34 71.304 -11.485 11.669 1.00 0.00 H new ATOM 0 HE21 GLN A 34 71.362 -14.593 13.572 1.00 0.00 H new ATOM 0 HE22 GLN A 34 72.810 -14.158 14.487 1.00 0.00 H new ATOM 510 N GLU A 35 70.263 -9.486 13.157 1.00 0.00 N ATOM 511 CA GLU A 35 70.177 -8.125 12.630 1.00 0.00 C ATOM 512 C GLU A 35 70.528 -8.094 11.142 1.00 0.00 C ATOM 513 O GLU A 35 71.332 -8.896 10.665 1.00 0.00 O ATOM 514 CB GLU A 35 71.127 -7.217 13.411 1.00 0.00 C ATOM 515 CG GLU A 35 70.966 -5.771 12.938 1.00 0.00 C ATOM 516 CD GLU A 35 71.897 -4.863 13.731 1.00 0.00 C ATOM 517 OE1 GLU A 35 71.741 -3.658 13.634 1.00 0.00 O ATOM 518 OE2 GLU A 35 72.755 -5.388 14.423 1.00 0.00 O1- ATOM 0 H GLU A 35 71.146 -9.707 13.617 1.00 0.00 H new ATOM 0 HA GLU A 35 69.153 -7.769 12.744 1.00 0.00 H new ATOM 0 HB2 GLU A 35 70.916 -7.286 14.478 1.00 0.00 H new ATOM 0 HB3 GLU A 35 72.157 -7.544 13.268 1.00 0.00 H new ATOM 0 HG2 GLU A 35 71.192 -5.699 11.874 1.00 0.00 H new ATOM 0 HG3 GLU A 35 69.933 -5.449 13.067 1.00 0.00 H new ATOM 525 N ALA A 36 69.911 -7.166 10.414 1.00 0.00 N ATOM 526 CA ALA A 36 70.148 -7.033 8.979 1.00 0.00 C ATOM 527 C ALA A 36 71.504 -6.397 8.682 1.00 0.00 C ATOM 528 O ALA A 36 72.031 -5.625 9.483 1.00 0.00 O ATOM 529 CB ALA A 36 69.044 -6.179 8.355 1.00 0.00 C ATOM 0 H ALA A 36 69.243 -6.495 10.794 1.00 0.00 H new ATOM 0 HA ALA A 36 70.144 -8.034 8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 36 69.222 -6.080 7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 36 68.078 -6.656 8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 36 69.044 -5.191 8.815 1.00 0.00 H new ATOM 535 N ARG A 37 72.055 -6.727 7.511 1.00 0.00 N ATOM 536 CA ARG A 37 73.351 -6.193 7.081 1.00 0.00 C ATOM 537 C ARG A 37 73.205 -5.483 5.735 1.00 0.00 C ATOM 538 O ARG A 37 72.765 -6.081 4.752 1.00 0.00 O ATOM 539 CB ARG A 37 74.354 -7.351 6.946 1.00 0.00 C ATOM 540 CG ARG A 37 75.768 -6.828 6.618 1.00 0.00 C ATOM 541 CD ARG A 37 76.501 -6.428 7.904 1.00 0.00 C ATOM 542 NE ARG A 37 77.822 -5.906 7.580 1.00 0.00 N ATOM 543 CZ ARG A 37 78.743 -5.728 8.521 1.00 0.00 C ATOM 544 NH1 ARG A 37 78.435 -5.116 9.633 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 79.959 -6.157 8.325 1.00 0.00 N ATOM 0 H ARG A 37 71.623 -7.363 6.841 1.00 0.00 H new ATOM 0 HA ARG A 37 73.710 -5.477 7.821 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.381 -7.923 7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 37 74.024 -8.032 6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 37 76.335 -7.597 6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 37 75.699 -5.970 5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 37 75.925 -5.675 8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 37 76.593 -7.291 8.564 1.00 0.00 H new ATOM 0 HE ARG A 37 78.044 -5.673 6.612 1.00 0.00 H new ATOM 0 HH11 ARG A 37 77.486 -4.773 9.781 1.00 0.00 H new ATOM 0 HH12 ARG A 37 79.144 -4.981 10.354 1.00 0.00 H new ATOM 0 HH21 ARG A 37 80.200 -6.627 7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 37 80.669 -6.023 9.044 1.00 0.00 H new ATOM 559 N TRP A 38 73.596 -4.212 5.694 1.00 0.00 N ATOM 560 CA TRP A 38 73.523 -3.433 4.461 1.00 0.00 C ATOM 561 C TRP A 38 74.769 -3.722 3.628 1.00 0.00 C ATOM 562 O TRP A 38 75.783 -4.157 4.170 1.00 0.00 O ATOM 563 CB TRP A 38 73.433 -1.925 4.806 1.00 0.00 C ATOM 564 CG TRP A 38 72.348 -1.276 4.010 1.00 0.00 C ATOM 565 CD1 TRP A 38 72.504 -0.194 3.215 1.00 0.00 C ATOM 566 CD2 TRP A 38 70.949 -1.661 3.916 1.00 0.00 C ATOM 567 NE1 TRP A 38 71.284 0.112 2.638 1.00 0.00 N ATOM 568 CE2 TRP A 38 70.294 -0.764 3.043 1.00 0.00 C ATOM 569 CE3 TRP A 38 70.191 -2.691 4.503 1.00 0.00 C ATOM 570 CZ2 TRP A 38 68.937 -0.888 2.756 1.00 0.00 C ATOM 571 CZ3 TRP A 38 68.822 -2.818 4.218 1.00 0.00 C ATOM 572 CH2 TRP A 38 68.196 -1.917 3.345 1.00 0.00 C ATOM 0 H TRP A 38 73.965 -3.701 6.496 1.00 0.00 H new ATOM 0 HA TRP A 38 72.637 -3.708 3.889 1.00 0.00 H new ATOM 0 HB2 TRP A 38 73.237 -1.799 5.871 1.00 0.00 H new ATOM 0 HB3 TRP A 38 74.386 -1.440 4.598 1.00 0.00 H new ATOM 0 HD1 TRP A 38 73.428 0.343 3.056 1.00 0.00 H new ATOM 0 HE1 TRP A 38 71.134 0.888 1.993 1.00 0.00 H new ATOM 0 HE3 TRP A 38 70.665 -3.389 5.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 68.459 -0.193 2.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 68.249 -3.613 4.673 1.00 0.00 H new ATOM 0 HH2 TRP A 38 67.143 -2.018 3.128 1.00 0.00 H new ATOM 583 N ALA A 39 74.710 -3.491 2.318 1.00 0.00 N ATOM 584 CA ALA A 39 75.885 -3.765 1.497 1.00 0.00 C ATOM 585 C ALA A 39 75.781 -3.162 0.105 1.00 0.00 C ATOM 586 O ALA A 39 74.707 -3.097 -0.488 1.00 0.00 O ATOM 587 CB ALA A 39 76.095 -5.277 1.386 1.00 0.00 C ATOM 0 H ALA A 39 73.897 -3.130 1.819 1.00 0.00 H new ATOM 0 HA ALA A 39 76.738 -3.298 1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 39 76.973 -5.478 0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 39 76.243 -5.698 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 39 75.219 -5.733 0.926 1.00 0.00 H new ATOM 593 N LEU A 40 76.934 -2.745 -0.410 1.00 0.00 N ATOM 594 CA LEU A 40 77.033 -2.162 -1.746 1.00 0.00 C ATOM 595 C LEU A 40 78.328 -2.637 -2.389 1.00 0.00 C ATOM 596 O LEU A 40 79.397 -2.539 -1.790 1.00 0.00 O ATOM 597 CB LEU A 40 77.011 -0.632 -1.658 1.00 0.00 C ATOM 598 CG LEU A 40 76.902 -0.007 -3.068 1.00 0.00 C ATOM 599 CD1 LEU A 40 76.349 1.416 -2.949 1.00 0.00 C ATOM 600 CD2 LEU A 40 78.281 0.037 -3.769 1.00 0.00 C ATOM 0 H LEU A 40 77.824 -2.801 0.085 1.00 0.00 H new ATOM 0 HA LEU A 40 76.184 -2.479 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 40 76.169 -0.310 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 40 77.917 -0.278 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 40 76.232 -0.624 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 40 76.271 1.860 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 40 75.363 1.386 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 40 77.020 2.017 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 40 78.172 0.481 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 40 78.972 0.636 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 40 78.672 -0.976 -3.867 1.00 0.00 H new ATOM 612 N GLY A 41 78.231 -3.175 -3.597 1.00 0.00 N ATOM 613 CA GLY A 41 79.414 -3.683 -4.278 1.00 0.00 C ATOM 614 C GLY A 41 79.756 -5.066 -3.740 1.00 0.00 C ATOM 615 O GLY A 41 80.762 -5.668 -4.118 1.00 0.00 O ATOM 0 H GLY A 41 77.360 -3.270 -4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 41 79.235 -3.733 -5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 41 80.253 -3.004 -4.126 1.00 0.00 H new ATOM 619 N GLY A 42 78.893 -5.566 -2.854 1.00 0.00 N ATOM 620 CA GLY A 42 79.076 -6.887 -2.255 1.00 0.00 C ATOM 621 C GLY A 42 79.640 -6.798 -0.837 1.00 0.00 C ATOM 622 O GLY A 42 79.448 -7.712 -0.034 1.00 0.00 O ATOM 0 H GLY A 42 78.058 -5.074 -2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.120 -7.411 -2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 42 79.749 -7.477 -2.877 1.00 0.00 H new ATOM 626 N VAL A 43 80.345 -5.705 -0.531 1.00 0.00 N ATOM 627 CA VAL A 43 80.943 -5.525 0.801 1.00 0.00 C ATOM 628 C VAL A 43 80.220 -4.429 1.595 1.00 0.00 C ATOM 629 O VAL A 43 79.728 -3.465 1.008 1.00 0.00 O ATOM 630 CB VAL A 43 82.416 -5.137 0.645 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.202 -6.331 0.102 1.00 0.00 C ATOM 632 CG2 VAL A 43 82.533 -3.966 -0.335 1.00 0.00 C ATOM 0 H VAL A 43 80.516 -4.936 -1.179 1.00 0.00 H new ATOM 0 HA VAL A 43 80.849 -6.465 1.345 1.00 0.00 H new ATOM 0 HB VAL A 43 82.819 -4.844 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.251 -6.056 -0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.118 -7.168 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 43 82.798 -6.622 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 43 83.581 -3.689 -0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 43 82.130 -4.261 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 43 81.971 -3.114 0.048 1.00 0.00 H new ATOM 642 N PRO A 44 80.157 -4.536 2.910 1.00 0.00 N ATOM 643 CA PRO A 44 79.492 -3.498 3.742 1.00 0.00 C ATOM 644 C PRO A 44 80.088 -2.115 3.463 1.00 0.00 C ATOM 645 O PRO A 44 81.303 -1.967 3.332 1.00 0.00 O ATOM 646 CB PRO A 44 79.740 -3.924 5.211 1.00 0.00 C ATOM 647 CG PRO A 44 80.510 -5.223 5.181 1.00 0.00 C ATOM 648 CD PRO A 44 80.695 -5.645 3.713 1.00 0.00 C ATOM 0 HA PRO A 44 78.427 -3.423 3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 44 80.302 -3.157 5.743 1.00 0.00 H new ATOM 0 HB3 PRO A 44 78.795 -4.050 5.739 1.00 0.00 H new ATOM 0 HG2 PRO A 44 81.479 -5.101 5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 44 79.973 -5.995 5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 44 81.747 -5.819 3.485 1.00 0.00 H new ATOM 0 HD3 PRO A 44 80.165 -6.574 3.503 1.00 0.00 H new ATOM 656 N LEU A 45 79.220 -1.113 3.367 1.00 0.00 N ATOM 657 CA LEU A 45 79.654 0.261 3.093 1.00 0.00 C ATOM 658 C LEU A 45 79.784 1.066 4.391 1.00 0.00 C ATOM 659 O LEU A 45 79.592 0.539 5.486 1.00 0.00 O ATOM 660 CB LEU A 45 78.648 0.949 2.145 1.00 0.00 C ATOM 661 CG LEU A 45 77.238 0.380 2.364 1.00 0.00 C ATOM 662 CD1 LEU A 45 76.818 0.591 3.825 1.00 0.00 C ATOM 663 CD2 LEU A 45 76.246 1.098 1.433 1.00 0.00 C ATOM 0 H LEU A 45 78.212 -1.222 3.474 1.00 0.00 H new ATOM 0 HA LEU A 45 80.634 0.222 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.646 2.024 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.952 0.798 1.109 1.00 0.00 H new ATOM 0 HG LEU A 45 77.239 -0.687 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 45 75.817 0.187 3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.521 0.080 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 45 76.817 1.657 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 45 75.245 0.695 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 45 76.246 2.165 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 45 76.543 0.943 0.396 1.00 0.00 H new ATOM 675 N GLN A 46 80.112 2.355 4.245 1.00 0.00 N ATOM 676 CA GLN A 46 80.273 3.256 5.393 1.00 0.00 C ATOM 677 C GLN A 46 79.695 4.634 5.081 1.00 0.00 C ATOM 678 O GLN A 46 79.496 4.985 3.919 1.00 0.00 O ATOM 679 CB GLN A 46 81.756 3.404 5.741 1.00 0.00 C ATOM 680 CG GLN A 46 82.291 2.092 6.319 1.00 0.00 C ATOM 681 CD GLN A 46 81.639 1.806 7.670 1.00 0.00 C ATOM 682 OE1 GLN A 46 81.579 2.684 8.533 1.00 0.00 O ATOM 683 NE2 GLN A 46 81.153 0.620 7.905 1.00 0.00 N ATOM 0 H GLN A 46 80.272 2.799 3.341 1.00 0.00 H new ATOM 0 HA GLN A 46 79.737 2.826 6.239 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.322 3.676 4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 46 81.890 4.210 6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 46 82.089 1.273 5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 46 83.373 2.152 6.435 1.00 0.00 H new ATOM 0 HE21 GLN A 46 81.205 -0.104 7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 46 80.721 0.415 8.806 1.00 0.00 H new ATOM 692 N ALA A 47 79.426 5.408 6.129 1.00 0.00 N ATOM 693 CA ALA A 47 78.866 6.746 5.962 1.00 0.00 C ATOM 694 C ALA A 47 79.911 7.710 5.397 1.00 0.00 C ATOM 695 O ALA A 47 80.537 8.466 6.140 1.00 0.00 O ATOM 696 CB ALA A 47 78.362 7.268 7.309 1.00 0.00 C ATOM 0 H ALA A 47 79.586 5.134 7.098 1.00 0.00 H new ATOM 0 HA ALA A 47 78.036 6.684 5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 47 77.945 8.267 7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.591 6.600 7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 47 79.190 7.310 8.016 1.00 0.00 H new ATOM 702 N ASN A 48 80.092 7.675 4.079 1.00 0.00 N ATOM 703 CA ASN A 48 81.063 8.545 3.418 1.00 0.00 C ATOM 704 C ASN A 48 80.479 9.938 3.183 1.00 0.00 C ATOM 705 O ASN A 48 79.290 10.167 3.398 1.00 0.00 O ATOM 706 CB ASN A 48 81.482 7.933 2.080 1.00 0.00 C ATOM 707 CG ASN A 48 82.741 8.620 1.570 1.00 0.00 C ATOM 708 OD1 ASN A 48 83.620 8.973 2.357 1.00 0.00 O ATOM 709 ND2 ASN A 48 82.878 8.835 0.293 1.00 0.00 N ATOM 0 H ASN A 48 79.581 7.056 3.449 1.00 0.00 H new ATOM 0 HA ASN A 48 81.933 8.640 4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 48 81.663 6.865 2.199 1.00 0.00 H new ATOM 0 HB3 ASN A 48 80.678 8.041 1.352 1.00 0.00 H new ATOM 0 HD21 ASN A 48 83.716 9.298 -0.059 1.00 0.00 H new ATOM 0 HD22 ASN A 48 82.147 8.541 -0.355 1.00 0.00 H new ATOM 716 N GLU A 49 81.320 10.870 2.738 1.00 0.00 N ATOM 717 CA GLU A 49 80.860 12.231 2.480 1.00 0.00 C ATOM 718 C GLU A 49 79.830 12.232 1.355 1.00 0.00 C ATOM 719 O GLU A 49 78.869 13.000 1.378 1.00 0.00 O ATOM 720 CB GLU A 49 82.044 13.134 2.113 1.00 0.00 C ATOM 721 CG GLU A 49 82.765 12.573 0.887 1.00 0.00 C ATOM 722 CD GLU A 49 83.982 13.435 0.568 1.00 0.00 C ATOM 723 OE1 GLU A 49 84.119 14.481 1.181 1.00 0.00 O ATOM 724 OE2 GLU A 49 84.767 13.030 -0.274 1.00 0.00 O1- ATOM 0 H GLU A 49 82.310 10.710 2.551 1.00 0.00 H new ATOM 0 HA GLU A 49 80.394 12.619 3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 49 81.692 14.145 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 49 82.735 13.202 2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 49 83.074 11.545 1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 49 82.088 12.552 0.033 1.00 0.00 H new ATOM 731 N MET A 50 80.036 11.351 0.379 1.00 0.00 N ATOM 732 CA MET A 50 79.119 11.233 -0.752 1.00 0.00 C ATOM 733 C MET A 50 77.979 10.269 -0.414 1.00 0.00 C ATOM 734 O MET A 50 77.060 10.073 -1.211 1.00 0.00 O ATOM 735 CB MET A 50 79.884 10.743 -1.992 1.00 0.00 C ATOM 736 CG MET A 50 80.254 9.259 -1.844 1.00 0.00 C ATOM 737 SD MET A 50 78.885 8.232 -2.436 1.00 0.00 S ATOM 738 CE MET A 50 79.404 8.142 -4.169 1.00 0.00 C ATOM 0 H MET A 50 80.828 10.709 0.348 1.00 0.00 H new ATOM 0 HA MET A 50 78.690 12.212 -0.965 1.00 0.00 H new ATOM 0 HB2 MET A 50 79.273 10.884 -2.883 1.00 0.00 H new ATOM 0 HB3 MET A 50 80.788 11.337 -2.128 1.00 0.00 H new ATOM 0 HG2 MET A 50 81.158 9.041 -2.412 1.00 0.00 H new ATOM 0 HG3 MET A 50 80.470 9.030 -0.800 1.00 0.00 H new ATOM 0 HE1 MET A 50 78.592 8.484 -4.810 1.00 0.00 H new ATOM 0 HE2 MET A 50 80.277 8.776 -4.321 1.00 0.00 H new ATOM 0 HE3 MET A 50 79.656 7.112 -4.420 1.00 0.00 H new ATOM 748 N ASN A 51 78.052 9.673 0.781 1.00 0.00 N ATOM 749 CA ASN A 51 77.030 8.724 1.238 1.00 0.00 C ATOM 750 C ASN A 51 76.699 8.960 2.714 1.00 0.00 C ATOM 751 O ASN A 51 77.503 8.660 3.595 1.00 0.00 O ATOM 752 CB ASN A 51 77.540 7.294 1.057 1.00 0.00 C ATOM 753 CG ASN A 51 76.444 6.297 1.414 1.00 0.00 C ATOM 754 OD1 ASN A 51 75.269 6.539 1.140 1.00 0.00 O ATOM 755 ND2 ASN A 51 76.761 5.182 2.011 1.00 0.00 N ATOM 0 H ASN A 51 78.807 9.830 1.449 1.00 0.00 H new ATOM 0 HA ASN A 51 76.127 8.873 0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 51 77.859 7.141 0.026 1.00 0.00 H new ATOM 0 HB3 ASN A 51 78.413 7.128 1.689 1.00 0.00 H new ATOM 0 HD21 ASN A 51 76.034 4.508 2.252 1.00 0.00 H new ATOM 0 HD22 ASN A 51 77.736 4.984 2.237 1.00 0.00 H new ATOM 762 N ASP A 52 75.501 9.488 2.975 1.00 0.00 N ATOM 763 CA ASP A 52 75.054 9.759 4.346 1.00 0.00 C ATOM 764 C ASP A 52 73.947 8.788 4.738 1.00 0.00 C ATOM 765 O ASP A 52 72.928 8.687 4.057 1.00 0.00 O ATOM 766 CB ASP A 52 74.538 11.197 4.458 1.00 0.00 C ATOM 767 CG ASP A 52 74.400 11.595 5.927 1.00 0.00 C ATOM 768 OD1 ASP A 52 73.363 12.138 6.276 1.00 0.00 O ATOM 769 OD2 ASP A 52 75.329 11.355 6.677 1.00 0.00 O1- ATOM 0 H ASP A 52 74.822 9.737 2.256 1.00 0.00 H new ATOM 0 HA ASP A 52 75.901 9.629 5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 52 75.223 11.877 3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.574 11.285 3.958 1.00 0.00 H new ATOM 774 N ILE A 53 74.155 8.068 5.838 1.00 0.00 N ATOM 775 CA ILE A 53 73.170 7.096 6.317 1.00 0.00 C ATOM 776 C ILE A 53 72.537 7.583 7.610 1.00 0.00 C ATOM 777 O ILE A 53 73.235 8.009 8.530 1.00 0.00 O ATOM 778 CB ILE A 53 73.844 5.748 6.571 1.00 0.00 C ATOM 779 CG1 ILE A 53 74.744 5.398 5.381 1.00 0.00 C ATOM 780 CG2 ILE A 53 72.770 4.668 6.742 1.00 0.00 C ATOM 781 CD1 ILE A 53 75.279 3.974 5.543 1.00 0.00 C ATOM 0 H ILE A 53 74.994 8.137 6.414 1.00 0.00 H new ATOM 0 HA ILE A 53 72.399 6.983 5.554 1.00 0.00 H new ATOM 0 HB ILE A 53 74.448 5.804 7.477 1.00 0.00 H new ATOM 0 HG12 ILE A 53 74.183 5.483 4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 53 75.572 6.104 5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 53 73.248 3.705 6.923 1.00 0.00 H new ATOM 0 HG22 ILE A 53 72.131 4.921 7.588 1.00 0.00 H new ATOM 0 HG23 ILE A 53 72.166 4.609 5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.919 3.727 4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 53 75.856 3.905 6.465 1.00 0.00 H new ATOM 0 HD13 ILE A 53 74.444 3.274 5.583 1.00 0.00 H new ATOM 793 N THR A 54 71.208 7.524 7.681 1.00 0.00 N ATOM 794 CA THR A 54 70.503 7.975 8.882 1.00 0.00 C ATOM 795 C THR A 54 69.279 7.111 9.157 1.00 0.00 C ATOM 796 O THR A 54 68.666 6.565 8.240 1.00 0.00 O ATOM 797 CB THR A 54 70.075 9.431 8.706 1.00 0.00 C ATOM 798 OG1 THR A 54 69.506 9.906 9.918 1.00 0.00 O ATOM 799 CG2 THR A 54 69.048 9.534 7.577 1.00 0.00 C ATOM 0 H THR A 54 70.605 7.175 6.936 1.00 0.00 H new ATOM 0 HA THR A 54 71.180 7.888 9.732 1.00 0.00 H new ATOM 0 HB THR A 54 70.945 10.037 8.453 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.233 10.841 9.807 1.00 0.00 H new ATOM 0 HG21 THR A 54 68.745 10.574 7.454 1.00 0.00 H new ATOM 0 HG22 THR A 54 69.491 9.173 6.649 1.00 0.00 H new ATOM 0 HG23 THR A 54 68.176 8.928 7.822 1.00 0.00 H new ATOM 807 N VAL A 55 68.932 6.996 10.436 1.00 0.00 N ATOM 808 CA VAL A 55 67.782 6.201 10.856 1.00 0.00 C ATOM 809 C VAL A 55 66.590 7.106 11.140 1.00 0.00 C ATOM 810 O VAL A 55 66.628 7.934 12.050 1.00 0.00 O ATOM 811 CB VAL A 55 68.144 5.412 12.114 1.00 0.00 C ATOM 812 CG1 VAL A 55 66.975 4.512 12.511 1.00 0.00 C ATOM 813 CG2 VAL A 55 69.379 4.555 11.827 1.00 0.00 C ATOM 0 H VAL A 55 69.433 7.445 11.202 1.00 0.00 H new ATOM 0 HA VAL A 55 67.514 5.511 10.056 1.00 0.00 H new ATOM 0 HB VAL A 55 68.356 6.101 12.931 1.00 0.00 H new ATOM 0 HG11 VAL A 55 67.236 3.951 13.408 1.00 0.00 H new ATOM 0 HG12 VAL A 55 66.095 5.124 12.709 1.00 0.00 H new ATOM 0 HG13 VAL A 55 66.758 3.818 11.699 1.00 0.00 H new ATOM 0 HG21 VAL A 55 69.644 3.989 12.720 1.00 0.00 H new ATOM 0 HG22 VAL A 55 69.162 3.866 11.011 1.00 0.00 H new ATOM 0 HG23 VAL A 55 70.212 5.200 11.546 1.00 0.00 H new ATOM 823 N GLU A 56 65.529 6.940 10.356 1.00 0.00 N ATOM 824 CA GLU A 56 64.323 7.743 10.527 1.00 0.00 C ATOM 825 C GLU A 56 63.380 7.076 11.521 1.00 0.00 C ATOM 826 O GLU A 56 63.615 5.948 11.955 1.00 0.00 O ATOM 827 CB GLU A 56 63.612 7.916 9.180 1.00 0.00 C ATOM 828 CG GLU A 56 64.445 8.826 8.271 1.00 0.00 C ATOM 829 CD GLU A 56 63.792 8.927 6.896 1.00 0.00 C ATOM 830 OE1 GLU A 56 64.302 9.668 6.073 1.00 0.00 O ATOM 831 OE2 GLU A 56 62.796 8.255 6.684 1.00 0.00 O1- ATOM 0 H GLU A 56 65.480 6.259 9.598 1.00 0.00 H new ATOM 0 HA GLU A 56 64.609 8.722 10.911 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.468 6.945 8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.622 8.346 9.333 1.00 0.00 H new ATOM 0 HG2 GLU A 56 64.531 9.817 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.456 8.431 8.175 1.00 0.00 H new ATOM 838 N GLN A 57 62.315 7.779 11.877 1.00 0.00 N ATOM 839 CA GLN A 57 61.338 7.250 12.820 1.00 0.00 C ATOM 840 C GLN A 57 60.663 6.007 12.258 1.00 0.00 C ATOM 841 O GLN A 57 60.651 5.792 11.048 1.00 0.00 O ATOM 842 CB GLN A 57 60.279 8.305 13.107 1.00 0.00 C ATOM 843 CG GLN A 57 59.637 8.745 11.791 1.00 0.00 C ATOM 844 CD GLN A 57 58.615 9.845 12.047 1.00 0.00 C ATOM 845 OE1 GLN A 57 58.609 10.452 13.119 1.00 0.00 O ATOM 846 NE2 GLN A 57 57.743 10.139 11.122 1.00 0.00 N ATOM 0 H GLN A 57 62.105 8.714 11.529 1.00 0.00 H new ATOM 0 HA GLN A 57 61.859 6.984 13.740 1.00 0.00 H new ATOM 0 HB2 GLN A 57 59.521 7.903 13.779 1.00 0.00 H new ATOM 0 HB3 GLN A 57 60.729 9.161 13.610 1.00 0.00 H new ATOM 0 HG2 GLN A 57 60.405 9.104 11.105 1.00 0.00 H new ATOM 0 HG3 GLN A 57 59.154 7.894 11.311 1.00 0.00 H new ATOM 0 HE21 GLN A 57 57.750 9.635 10.235 1.00 0.00 H new ATOM 0 HE22 GLN A 57 57.054 10.873 11.285 1.00 0.00 H new ATOM 855 N GLY A 58 60.102 5.196 13.148 1.00 0.00 N ATOM 856 CA GLY A 58 59.424 3.976 12.735 1.00 0.00 C ATOM 857 C GLY A 58 60.437 2.949 12.261 1.00 0.00 C ATOM 858 O GLY A 58 60.091 1.985 11.576 1.00 0.00 O ATOM 0 H GLY A 58 60.104 5.361 14.155 1.00 0.00 H new ATOM 0 HA2 GLY A 58 58.848 3.572 13.567 1.00 0.00 H new ATOM 0 HA3 GLY A 58 58.717 4.197 11.935 1.00 0.00 H new ATOM 862 N THR A 59 61.693 3.165 12.635 1.00 0.00 N ATOM 863 CA THR A 59 62.760 2.256 12.249 1.00 0.00 C ATOM 864 C THR A 59 62.988 2.297 10.736 1.00 0.00 C ATOM 865 O THR A 59 63.433 1.315 10.134 1.00 0.00 O ATOM 866 CB THR A 59 62.414 0.829 12.707 1.00 0.00 C ATOM 867 OG1 THR A 59 61.628 0.895 13.889 1.00 0.00 O ATOM 868 CG2 THR A 59 63.697 0.037 12.984 1.00 0.00 C ATOM 0 H THR A 59 61.994 3.958 13.202 1.00 0.00 H new ATOM 0 HA THR A 59 63.684 2.571 12.734 1.00 0.00 H new ATOM 0 HB THR A 59 61.854 0.325 11.920 1.00 0.00 H new ATOM 0 HG1 THR A 59 61.404 -0.012 14.184 1.00 0.00 H new ATOM 0 HG21 THR A 59 63.439 -0.971 13.308 1.00 0.00 H new ATOM 0 HG22 THR A 59 64.296 -0.015 12.075 1.00 0.00 H new ATOM 0 HG23 THR A 59 64.270 0.534 13.767 1.00 0.00 H new ATOM 876 N LEU A 60 62.679 3.443 10.126 1.00 0.00 N ATOM 877 CA LEU A 60 62.860 3.609 8.682 1.00 0.00 C ATOM 878 C LEU A 60 64.294 4.038 8.357 1.00 0.00 C ATOM 879 O LEU A 60 64.818 4.982 8.945 1.00 0.00 O ATOM 880 CB LEU A 60 61.868 4.665 8.152 1.00 0.00 C ATOM 881 CG LEU A 60 60.525 4.016 7.793 1.00 0.00 C ATOM 882 CD1 LEU A 60 59.943 3.292 9.009 1.00 0.00 C ATOM 883 CD2 LEU A 60 59.552 5.105 7.341 1.00 0.00 C ATOM 0 H LEU A 60 62.306 4.263 10.604 1.00 0.00 H new ATOM 0 HA LEU A 60 62.669 2.651 8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 60 61.714 5.437 8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.287 5.156 7.273 1.00 0.00 H new ATOM 0 HG LEU A 60 60.679 3.293 6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 60 58.990 2.836 8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 60 60.636 2.517 9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 60 59.788 4.006 9.818 1.00 0.00 H new ATOM 0 HD21 LEU A 60 58.594 4.653 7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 60 59.409 5.823 8.148 1.00 0.00 H new ATOM 0 HD23 LEU A 60 59.958 5.616 6.468 1.00 0.00 H new ATOM 895 N HIS A 61 64.912 3.348 7.396 1.00 0.00 N ATOM 896 CA HIS A 61 66.275 3.672 6.970 1.00 0.00 C ATOM 897 C HIS A 61 66.223 4.601 5.766 1.00 0.00 C ATOM 898 O HIS A 61 65.181 4.733 5.122 1.00 0.00 O ATOM 899 CB HIS A 61 67.034 2.397 6.603 1.00 0.00 C ATOM 900 CG HIS A 61 67.328 1.619 7.854 1.00 0.00 C ATOM 901 ND1 HIS A 61 66.384 0.802 8.454 1.00 0.00 N ATOM 902 CD2 HIS A 61 68.454 1.529 8.637 1.00 0.00 C ATOM 903 CE1 HIS A 61 66.952 0.261 9.546 1.00 0.00 C ATOM 904 NE2 HIS A 61 68.213 0.671 9.705 1.00 0.00 N ATOM 0 H HIS A 61 64.491 2.563 6.899 1.00 0.00 H new ATOM 0 HA HIS A 61 66.795 4.165 7.791 1.00 0.00 H new ATOM 0 HB2 HIS A 61 66.442 1.793 5.915 1.00 0.00 H new ATOM 0 HB3 HIS A 61 67.962 2.647 6.090 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.384 2.046 8.451 1.00 0.00 H new ATOM 0 HE1 HIS A 61 66.449 -0.423 10.214 1.00 0.00 H new ATOM 0 HE2 HIS A 61 68.860 0.411 10.449 1.00 0.00 H new ATOM 912 N LEU A 62 67.342 5.254 5.463 1.00 0.00 N ATOM 913 CA LEU A 62 67.379 6.176 4.331 1.00 0.00 C ATOM 914 C LEU A 62 68.808 6.325 3.800 1.00 0.00 C ATOM 915 O LEU A 62 69.677 6.887 4.478 1.00 0.00 O ATOM 916 CB LEU A 62 66.831 7.543 4.789 1.00 0.00 C ATOM 917 CG LEU A 62 66.251 8.348 3.607 1.00 0.00 C ATOM 918 CD1 LEU A 62 67.250 8.383 2.446 1.00 0.00 C ATOM 919 CD2 LEU A 62 64.923 7.732 3.125 1.00 0.00 C ATOM 0 H LEU A 62 68.220 5.165 5.974 1.00 0.00 H new ATOM 0 HA LEU A 62 66.763 5.783 3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 62 66.057 7.392 5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.629 8.115 5.263 1.00 0.00 H new ATOM 0 HG LEU A 62 66.063 9.365 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 62 66.827 8.954 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 62 68.176 8.854 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 62 67.459 7.366 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 62 64.532 8.316 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 62 65.095 6.706 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 62 64.201 7.738 3.942 1.00 0.00 H new ATOM 931 N LEU A 63 69.037 5.840 2.571 1.00 0.00 N ATOM 932 CA LEU A 63 70.347 5.944 1.933 1.00 0.00 C ATOM 933 C LEU A 63 70.368 7.198 1.069 1.00 0.00 C ATOM 934 O LEU A 63 69.633 7.290 0.086 1.00 0.00 O ATOM 935 CB LEU A 63 70.618 4.712 1.049 1.00 0.00 C ATOM 936 CG LEU A 63 71.128 3.522 1.885 1.00 0.00 C ATOM 937 CD1 LEU A 63 72.524 3.818 2.470 1.00 0.00 C ATOM 938 CD2 LEU A 63 70.138 3.212 3.017 1.00 0.00 C ATOM 0 H LEU A 63 68.329 5.373 2.004 1.00 0.00 H new ATOM 0 HA LEU A 63 71.118 5.996 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 63 69.704 4.428 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 63 71.354 4.965 0.286 1.00 0.00 H new ATOM 0 HG LEU A 63 71.208 2.654 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 63 72.862 2.963 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 63 73.227 4.002 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.471 4.698 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 63 70.507 2.370 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 63 70.037 4.085 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 63 69.166 2.961 2.592 1.00 0.00 H new ATOM 950 N THR A 64 71.202 8.166 1.430 1.00 0.00 N ATOM 951 CA THR A 64 71.290 9.407 0.663 1.00 0.00 C ATOM 952 C THR A 64 72.533 9.381 -0.214 1.00 0.00 C ATOM 953 O THR A 64 73.651 9.565 0.267 1.00 0.00 O ATOM 954 CB THR A 64 71.359 10.598 1.625 1.00 0.00 C ATOM 955 OG1 THR A 64 70.228 10.571 2.485 1.00 0.00 O ATOM 956 CG2 THR A 64 71.364 11.913 0.839 1.00 0.00 C ATOM 0 H THR A 64 71.821 8.119 2.239 1.00 0.00 H new ATOM 0 HA THR A 64 70.408 9.505 0.030 1.00 0.00 H new ATOM 0 HB THR A 64 72.276 10.530 2.211 1.00 0.00 H new ATOM 0 HG1 THR A 64 70.269 11.330 3.103 1.00 0.00 H new ATOM 0 HG21 THR A 64 71.413 12.752 1.533 1.00 0.00 H new ATOM 0 HG22 THR A 64 72.230 11.938 0.178 1.00 0.00 H new ATOM 0 HG23 THR A 64 70.452 11.986 0.246 1.00 0.00 H new ATOM 964 N LEU A 65 72.328 9.145 -1.510 1.00 0.00 N ATOM 965 CA LEU A 65 73.442 9.087 -2.468 1.00 0.00 C ATOM 966 C LEU A 65 73.406 10.287 -3.412 1.00 0.00 C ATOM 967 O LEU A 65 72.386 10.561 -4.046 1.00 0.00 O ATOM 968 CB LEU A 65 73.356 7.788 -3.278 1.00 0.00 C ATOM 969 CG LEU A 65 74.603 7.626 -4.165 1.00 0.00 C ATOM 970 CD1 LEU A 65 75.869 7.478 -3.297 1.00 0.00 C ATOM 971 CD2 LEU A 65 74.426 6.382 -5.047 1.00 0.00 C ATOM 0 H LEU A 65 71.408 8.991 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 65 74.380 9.112 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 65 73.269 6.936 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 65 72.459 7.797 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 65 74.719 8.512 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 65 76.741 7.364 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 65 75.990 8.365 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 65 75.772 6.599 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 65 75.304 6.257 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 65 74.306 5.502 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 65 73.542 6.502 -5.673 1.00 0.00 H new ATOM 983 N HIS A 66 74.531 11.002 -3.500 1.00 0.00 N ATOM 984 CA HIS A 66 74.632 12.180 -4.369 1.00 0.00 C ATOM 985 C HIS A 66 75.853 12.072 -5.281 1.00 0.00 C ATOM 986 O HIS A 66 76.761 11.282 -5.026 1.00 0.00 O ATOM 987 CB HIS A 66 74.744 13.443 -3.513 1.00 0.00 C ATOM 988 CG HIS A 66 74.630 14.659 -4.389 1.00 0.00 C ATOM 989 ND1 HIS A 66 73.773 14.710 -5.478 1.00 0.00 N ATOM 990 CD2 HIS A 66 75.251 15.882 -4.344 1.00 0.00 C ATOM 991 CE1 HIS A 66 73.904 15.926 -6.040 1.00 0.00 C ATOM 992 NE2 HIS A 66 74.792 16.681 -5.386 1.00 0.00 N ATOM 0 H HIS A 66 75.383 10.787 -2.982 1.00 0.00 H new ATOM 0 HA HIS A 66 73.736 12.233 -4.988 1.00 0.00 H new ATOM 0 HB2 HIS A 66 73.959 13.453 -2.757 1.00 0.00 H new ATOM 0 HB3 HIS A 66 75.697 13.452 -2.984 1.00 0.00 H new ATOM 0 HD1 HIS A 66 73.156 13.962 -5.795 1.00 0.00 H new ATOM 0 HD2 HIS A 66 75.985 16.179 -3.610 1.00 0.00 H new ATOM 0 HE1 HIS A 66 73.358 16.252 -6.913 1.00 0.00 H new ATOM 1000 N LYS A 67 75.868 12.870 -6.346 1.00 0.00 N ATOM 1001 CA LYS A 67 76.983 12.857 -7.291 1.00 0.00 C ATOM 1002 C LYS A 67 77.254 11.446 -7.800 1.00 0.00 C ATOM 1003 O LYS A 67 78.253 10.827 -7.436 1.00 0.00 O ATOM 1004 CB LYS A 67 78.245 13.408 -6.628 1.00 0.00 C ATOM 1005 CG LYS A 67 78.095 14.917 -6.426 1.00 0.00 C ATOM 1006 CD LYS A 67 79.317 15.472 -5.677 1.00 0.00 C ATOM 1007 CE LYS A 67 80.504 15.626 -6.636 1.00 0.00 C ATOM 1008 NZ LYS A 67 81.560 16.454 -5.984 1.00 0.00 N1+ ATOM 0 H LYS A 67 75.125 13.530 -6.576 1.00 0.00 H new ATOM 0 HA LYS A 67 76.710 13.488 -8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 67 78.410 12.916 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 67 79.116 13.198 -7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 67 77.994 15.413 -7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 67 77.186 15.128 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 67 79.072 16.437 -5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 67 79.586 14.803 -4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 67 80.904 14.647 -6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 67 80.178 16.096 -7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 82.367 16.561 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 81.174 17.392 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 81.877 15.987 -5.110 1.00 0.00 H new ATOM 1022 N VAL A 68 76.363 10.950 -8.652 1.00 0.00 N ATOM 1023 CA VAL A 68 76.514 9.613 -9.220 1.00 0.00 C ATOM 1024 C VAL A 68 77.284 9.687 -10.537 1.00 0.00 C ATOM 1025 O VAL A 68 77.083 10.606 -11.333 1.00 0.00 O ATOM 1026 CB VAL A 68 75.131 8.985 -9.454 1.00 0.00 C ATOM 1027 CG1 VAL A 68 74.461 9.605 -10.687 1.00 0.00 C ATOM 1028 CG2 VAL A 68 75.286 7.477 -9.665 1.00 0.00 C ATOM 0 H VAL A 68 75.531 11.451 -8.964 1.00 0.00 H new ATOM 0 HA VAL A 68 77.073 8.992 -8.520 1.00 0.00 H new ATOM 0 HB VAL A 68 74.507 9.176 -8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 68 73.483 9.148 -10.838 1.00 0.00 H new ATOM 0 HG12 VAL A 68 74.341 10.678 -10.535 1.00 0.00 H new ATOM 0 HG13 VAL A 68 75.082 9.430 -11.565 1.00 0.00 H new ATOM 0 HG21 VAL A 68 74.306 7.030 -9.831 1.00 0.00 H new ATOM 0 HG22 VAL A 68 75.920 7.294 -10.533 1.00 0.00 H new ATOM 0 HG23 VAL A 68 75.743 7.031 -8.782 1.00 0.00 H new ATOM 1038 N THR A 69 78.159 8.714 -10.766 1.00 0.00 N ATOM 1039 CA THR A 69 78.951 8.666 -11.997 1.00 0.00 C ATOM 1040 C THR A 69 78.748 7.316 -12.670 1.00 0.00 C ATOM 1041 O THR A 69 78.833 6.275 -12.021 1.00 0.00 O ATOM 1042 CB THR A 69 80.435 8.873 -11.671 1.00 0.00 C ATOM 1043 OG1 THR A 69 80.580 10.047 -10.885 1.00 0.00 O ATOM 1044 CG2 THR A 69 81.227 9.037 -12.969 1.00 0.00 C ATOM 0 H THR A 69 78.340 7.947 -10.118 1.00 0.00 H new ATOM 0 HA THR A 69 78.627 9.459 -12.671 1.00 0.00 H new ATOM 0 HB THR A 69 80.811 8.010 -11.122 1.00 0.00 H new ATOM 0 HG1 THR A 69 81.527 10.183 -10.672 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.282 9.184 -12.736 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.112 8.142 -13.581 1.00 0.00 H new ATOM 0 HG23 THR A 69 80.853 9.902 -13.517 1.00 0.00 H new ATOM 1052 N LEU A 70 78.458 7.333 -13.965 1.00 0.00 N ATOM 1053 CA LEU A 70 78.223 6.091 -14.695 1.00 0.00 C ATOM 1054 C LEU A 70 79.278 5.049 -14.342 1.00 0.00 C ATOM 1055 O LEU A 70 79.079 3.853 -14.551 1.00 0.00 O ATOM 1056 CB LEU A 70 78.213 6.348 -16.213 1.00 0.00 C ATOM 1057 CG LEU A 70 79.466 7.152 -16.656 1.00 0.00 C ATOM 1058 CD1 LEU A 70 80.575 6.196 -17.116 1.00 0.00 C ATOM 1059 CD2 LEU A 70 79.102 8.079 -17.826 1.00 0.00 C ATOM 0 H LEU A 70 78.380 8.181 -14.527 1.00 0.00 H new ATOM 0 HA LEU A 70 77.247 5.706 -14.402 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.181 5.397 -16.745 1.00 0.00 H new ATOM 0 HB3 LEU A 70 77.311 6.896 -16.486 1.00 0.00 H new ATOM 0 HG LEU A 70 79.817 7.739 -15.808 1.00 0.00 H new ATOM 0 HD11 LEU A 70 81.448 6.772 -17.424 1.00 0.00 H new ATOM 0 HD12 LEU A 70 80.849 5.534 -16.294 1.00 0.00 H new ATOM 0 HD13 LEU A 70 80.217 5.602 -17.957 1.00 0.00 H new ATOM 0 HD21 LEU A 70 79.984 8.641 -18.133 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.742 7.483 -18.664 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.322 8.772 -17.512 1.00 0.00 H new ATOM 1071 N GLU A 71 80.396 5.512 -13.800 1.00 0.00 N ATOM 1072 CA GLU A 71 81.475 4.612 -13.413 1.00 0.00 C ATOM 1073 C GLU A 71 81.082 3.781 -12.191 1.00 0.00 C ATOM 1074 O GLU A 71 81.514 2.638 -12.046 1.00 0.00 O ATOM 1075 CB GLU A 71 82.745 5.407 -13.103 1.00 0.00 C ATOM 1076 CG GLU A 71 83.282 6.040 -14.388 1.00 0.00 C ATOM 1077 CD GLU A 71 84.533 6.856 -14.084 1.00 0.00 C ATOM 1078 OE1 GLU A 71 85.097 7.407 -15.015 1.00 0.00 O ATOM 1079 OE2 GLU A 71 84.908 6.919 -12.925 1.00 0.00 O1- ATOM 0 H GLU A 71 80.580 6.499 -13.619 1.00 0.00 H new ATOM 0 HA GLU A 71 81.665 3.938 -14.249 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.530 6.181 -12.367 1.00 0.00 H new ATOM 0 HB3 GLU A 71 83.499 4.752 -12.666 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.513 5.263 -15.117 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.520 6.679 -14.834 1.00 0.00 H new ATOM 1086 N ASP A 72 80.280 4.368 -11.305 1.00 0.00 N ATOM 1087 CA ASP A 72 79.866 3.670 -10.092 1.00 0.00 C ATOM 1088 C ASP A 72 79.232 2.320 -10.416 1.00 0.00 C ATOM 1089 O ASP A 72 79.830 1.278 -10.145 1.00 0.00 O ATOM 1090 CB ASP A 72 78.866 4.532 -9.314 1.00 0.00 C ATOM 1091 CG ASP A 72 78.533 3.872 -7.981 1.00 0.00 C ATOM 1092 OD1 ASP A 72 78.683 2.665 -7.885 1.00 0.00 O ATOM 1093 OD2 ASP A 72 78.139 4.583 -7.073 1.00 0.00 O1- ATOM 0 H ASP A 72 79.908 5.313 -11.402 1.00 0.00 H new ATOM 0 HA ASP A 72 80.754 3.493 -9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 72 79.284 5.524 -9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 72 77.957 4.666 -9.900 1.00 0.00 H new ATOM 1098 N ALA A 73 78.027 2.341 -11.001 1.00 0.00 N ATOM 1099 CA ALA A 73 77.321 1.106 -11.363 1.00 0.00 C ATOM 1100 C ALA A 73 77.614 -0.006 -10.360 1.00 0.00 C ATOM 1101 O ALA A 73 78.615 -0.712 -10.477 1.00 0.00 O ATOM 1102 CB ALA A 73 77.738 0.658 -12.764 1.00 0.00 C ATOM 0 H ALA A 73 77.523 3.197 -11.233 1.00 0.00 H new ATOM 0 HA ALA A 73 76.250 1.310 -11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 73 77.210 -0.259 -13.025 1.00 0.00 H new ATOM 0 HB2 ALA A 73 77.490 1.438 -13.484 1.00 0.00 H new ATOM 0 HB3 ALA A 73 78.812 0.476 -12.783 1.00 0.00 H new ATOM 1108 N GLY A 74 76.743 -0.149 -9.364 1.00 0.00 N ATOM 1109 CA GLY A 74 76.935 -1.171 -8.335 1.00 0.00 C ATOM 1110 C GLY A 74 75.634 -1.886 -8.015 1.00 0.00 C ATOM 1111 O GLY A 74 74.563 -1.489 -8.468 1.00 0.00 O ATOM 0 H GLY A 74 75.906 0.422 -9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 74 77.676 -1.895 -8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 74 77.330 -0.709 -7.430 1.00 0.00 H new ATOM 1115 N THR A 75 75.743 -2.957 -7.232 1.00 0.00 N ATOM 1116 CA THR A 75 74.578 -3.751 -6.841 1.00 0.00 C ATOM 1117 C THR A 75 74.399 -3.717 -5.323 1.00 0.00 C ATOM 1118 O THR A 75 75.261 -4.188 -4.580 1.00 0.00 O ATOM 1119 CB THR A 75 74.782 -5.199 -7.305 1.00 0.00 C ATOM 1120 OG1 THR A 75 75.103 -5.202 -8.690 1.00 0.00 O ATOM 1121 CG2 THR A 75 73.503 -6.011 -7.087 1.00 0.00 C ATOM 0 H THR A 75 76.628 -3.296 -6.855 1.00 0.00 H new ATOM 0 HA THR A 75 73.685 -3.334 -7.306 1.00 0.00 H new ATOM 0 HB THR A 75 75.591 -5.647 -6.728 1.00 0.00 H new ATOM 0 HG1 THR A 75 75.236 -6.124 -8.993 1.00 0.00 H new ATOM 0 HG21 THR A 75 73.662 -7.036 -7.421 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.247 -6.010 -6.027 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.688 -5.566 -7.658 1.00 0.00 H new ATOM 1129 N VAL A 76 73.270 -3.170 -4.862 1.00 0.00 N ATOM 1130 CA VAL A 76 72.994 -3.102 -3.424 1.00 0.00 C ATOM 1131 C VAL A 76 72.175 -4.316 -2.994 1.00 0.00 C ATOM 1132 O VAL A 76 71.195 -4.671 -3.649 1.00 0.00 O ATOM 1133 CB VAL A 76 72.218 -1.830 -3.085 1.00 0.00 C ATOM 1134 CG1 VAL A 76 72.206 -1.631 -1.572 1.00 0.00 C ATOM 1135 CG2 VAL A 76 72.884 -0.626 -3.749 1.00 0.00 C ATOM 0 H VAL A 76 72.541 -2.773 -5.455 1.00 0.00 H new ATOM 0 HA VAL A 76 73.946 -3.092 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 76 71.196 -1.924 -3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 76 71.653 -0.724 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 76 71.727 -2.487 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 76 73.230 -1.540 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 76 72.327 0.279 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 76 73.908 -0.531 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 76 72.893 -0.765 -4.830 1.00 0.00 H new ATOM 1145 N SER A 77 72.583 -4.958 -1.899 1.00 0.00 N ATOM 1146 CA SER A 77 71.877 -6.144 -1.401 1.00 0.00 C ATOM 1147 C SER A 77 71.745 -6.113 0.120 1.00 0.00 C ATOM 1148 O SER A 77 72.512 -5.440 0.810 1.00 0.00 O ATOM 1149 CB SER A 77 72.645 -7.402 -1.810 1.00 0.00 C ATOM 1150 OG SER A 77 73.692 -7.641 -0.876 1.00 0.00 O ATOM 0 H SER A 77 73.392 -4.682 -1.342 1.00 0.00 H new ATOM 0 HA SER A 77 70.877 -6.151 -1.835 1.00 0.00 H new ATOM 0 HB2 SER A 77 71.971 -8.258 -1.844 1.00 0.00 H new ATOM 0 HB3 SER A 77 73.057 -7.280 -2.812 1.00 0.00 H new ATOM 0 HG SER A 77 74.184 -8.448 -1.136 1.00 0.00 H new ATOM 1156 N PHE A 78 70.767 -6.862 0.636 1.00 0.00 N ATOM 1157 CA PHE A 78 70.530 -6.941 2.082 1.00 0.00 C ATOM 1158 C PHE A 78 70.413 -8.406 2.497 1.00 0.00 C ATOM 1159 O PHE A 78 69.896 -9.230 1.741 1.00 0.00 O ATOM 1160 CB PHE A 78 69.235 -6.195 2.447 1.00 0.00 C ATOM 1161 CG PHE A 78 69.082 -4.983 1.554 1.00 0.00 C ATOM 1162 CD1 PHE A 78 70.026 -3.949 1.607 1.00 0.00 C ATOM 1163 CD2 PHE A 78 67.994 -4.894 0.671 1.00 0.00 C ATOM 1164 CE1 PHE A 78 69.881 -2.829 0.777 1.00 0.00 C ATOM 1165 CE2 PHE A 78 67.853 -3.775 -0.155 1.00 0.00 C ATOM 1166 CZ PHE A 78 68.796 -2.742 -0.102 1.00 0.00 C ATOM 0 H PHE A 78 70.126 -7.423 0.075 1.00 0.00 H new ATOM 0 HA PHE A 78 71.365 -6.477 2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 78 68.377 -6.856 2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 78 69.262 -5.888 3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 78 70.863 -4.015 2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 78 67.266 -5.690 0.630 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.608 -2.032 0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 78 67.016 -3.708 -0.834 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.686 -1.877 -0.740 1.00 0.00 H new ATOM 1176 N HIS A 79 70.900 -8.733 3.693 1.00 0.00 N ATOM 1177 CA HIS A 79 70.845 -10.114 4.181 1.00 0.00 C ATOM 1178 C HIS A 79 70.470 -10.173 5.658 1.00 0.00 C ATOM 1179 O HIS A 79 71.221 -9.713 6.519 1.00 0.00 O ATOM 1180 CB HIS A 79 72.208 -10.778 3.975 1.00 0.00 C ATOM 1181 CG HIS A 79 72.116 -12.235 4.339 1.00 0.00 C ATOM 1182 ND1 HIS A 79 72.226 -12.677 5.649 1.00 0.00 N ATOM 1183 CD2 HIS A 79 71.927 -13.362 3.578 1.00 0.00 C ATOM 1184 CE1 HIS A 79 72.102 -14.016 5.638 1.00 0.00 C ATOM 1185 NE2 HIS A 79 71.919 -14.486 4.400 1.00 0.00 N ATOM 0 H HIS A 79 71.333 -8.071 4.337 1.00 0.00 H new ATOM 0 HA HIS A 79 70.077 -10.643 3.617 1.00 0.00 H new ATOM 0 HB2 HIS A 79 72.524 -10.671 2.937 1.00 0.00 H new ATOM 0 HB3 HIS A 79 72.961 -10.285 4.590 1.00 0.00 H new ATOM 0 HD2 HIS A 79 71.803 -13.375 2.505 1.00 0.00 H new ATOM 0 HE1 HIS A 79 72.145 -14.636 6.521 1.00 0.00 H new ATOM 0 HE2 HIS A 79 71.799 -15.459 4.118 1.00 0.00 H new ATOM 1193 N VAL A 80 69.306 -10.762 5.946 1.00 0.00 N ATOM 1194 CA VAL A 80 68.831 -10.905 7.329 1.00 0.00 C ATOM 1195 C VAL A 80 68.568 -12.385 7.632 1.00 0.00 C ATOM 1196 O VAL A 80 67.897 -13.074 6.862 1.00 0.00 O ATOM 1197 CB VAL A 80 67.546 -10.084 7.531 1.00 0.00 C ATOM 1198 CG1 VAL A 80 67.379 -9.718 9.010 1.00 0.00 C ATOM 1199 CG2 VAL A 80 67.624 -8.806 6.692 1.00 0.00 C ATOM 0 H VAL A 80 68.675 -11.147 5.243 1.00 0.00 H new ATOM 0 HA VAL A 80 69.594 -10.532 8.012 1.00 0.00 H new ATOM 0 HB VAL A 80 66.689 -10.679 7.216 1.00 0.00 H new ATOM 0 HG11 VAL A 80 66.466 -9.137 9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 80 67.318 -10.629 9.606 1.00 0.00 H new ATOM 0 HG13 VAL A 80 68.235 -9.127 9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.715 -8.222 6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 80 68.486 -8.217 7.006 1.00 0.00 H new ATOM 0 HG23 VAL A 80 67.727 -9.068 5.639 1.00 0.00 H new ATOM 1209 N GLY A 81 69.115 -12.866 8.746 1.00 0.00 N ATOM 1210 CA GLY A 81 68.952 -14.269 9.137 1.00 0.00 C ATOM 1211 C GLY A 81 67.545 -14.789 8.849 1.00 0.00 C ATOM 1212 O GLY A 81 67.337 -15.997 8.745 1.00 0.00 O ATOM 0 H GLY A 81 69.673 -12.310 9.393 1.00 0.00 H new ATOM 0 HA2 GLY A 81 69.680 -14.880 8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 81 69.166 -14.375 10.200 1.00 0.00 H new ATOM 1216 N THR A 82 66.581 -13.881 8.715 1.00 0.00 N ATOM 1217 CA THR A 82 65.204 -14.285 8.433 1.00 0.00 C ATOM 1218 C THR A 82 65.019 -14.511 6.939 1.00 0.00 C ATOM 1219 O THR A 82 64.937 -15.649 6.475 1.00 0.00 O ATOM 1220 CB THR A 82 64.217 -13.205 8.896 1.00 0.00 C ATOM 1221 OG1 THR A 82 64.655 -11.933 8.440 1.00 0.00 O ATOM 1222 CG2 THR A 82 64.128 -13.202 10.423 1.00 0.00 C ATOM 0 H THR A 82 66.723 -12.874 8.796 1.00 0.00 H new ATOM 0 HA THR A 82 65.007 -15.210 8.975 1.00 0.00 H new ATOM 0 HB THR A 82 63.232 -13.419 8.482 1.00 0.00 H new ATOM 0 HG1 THR A 82 63.950 -11.518 7.900 1.00 0.00 H new ATOM 0 HG21 THR A 82 63.426 -12.433 10.745 1.00 0.00 H new ATOM 0 HG22 THR A 82 63.783 -14.176 10.769 1.00 0.00 H new ATOM 0 HG23 THR A 82 65.112 -12.994 10.844 1.00 0.00 H new ATOM 1230 N CYS A 83 64.951 -13.413 6.193 1.00 0.00 N ATOM 1231 CA CYS A 83 64.769 -13.471 4.742 1.00 0.00 C ATOM 1232 C CYS A 83 65.871 -12.689 4.040 1.00 0.00 C ATOM 1233 O CYS A 83 66.557 -11.875 4.658 1.00 0.00 O ATOM 1234 CB CYS A 83 63.408 -12.884 4.368 1.00 0.00 C ATOM 1235 SG CYS A 83 62.117 -13.676 5.359 1.00 0.00 S ATOM 0 H CYS A 83 65.019 -12.467 6.569 1.00 0.00 H new ATOM 0 HA CYS A 83 64.816 -14.513 4.424 1.00 0.00 H new ATOM 0 HB2 CYS A 83 63.405 -11.808 4.540 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.213 -13.038 3.307 1.00 0.00 H new ATOM 0 HG CYS A 83 60.959 -13.176 5.043 1.00 0.00 H new ATOM 1241 N SER A 84 66.042 -12.948 2.745 1.00 0.00 N ATOM 1242 CA SER A 84 67.074 -12.270 1.953 1.00 0.00 C ATOM 1243 C SER A 84 66.482 -11.700 0.666 1.00 0.00 C ATOM 1244 O SER A 84 65.460 -12.182 0.176 1.00 0.00 O ATOM 1245 CB SER A 84 68.186 -13.260 1.611 1.00 0.00 C ATOM 1246 OG SER A 84 68.878 -13.616 2.800 1.00 0.00 O ATOM 0 H SER A 84 65.482 -13.620 2.220 1.00 0.00 H new ATOM 0 HA SER A 84 67.480 -11.447 2.541 1.00 0.00 H new ATOM 0 HB2 SER A 84 67.766 -14.149 1.141 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.876 -12.816 0.894 1.00 0.00 H new ATOM 0 HG SER A 84 69.581 -14.264 2.587 1.00 0.00 H new ATOM 1252 N SER A 85 67.131 -10.671 0.127 1.00 0.00 N ATOM 1253 CA SER A 85 66.663 -10.037 -1.104 1.00 0.00 C ATOM 1254 C SER A 85 67.816 -9.320 -1.803 1.00 0.00 C ATOM 1255 O SER A 85 68.850 -9.054 -1.190 1.00 0.00 O ATOM 1256 CB SER A 85 65.558 -9.034 -0.784 1.00 0.00 C ATOM 1257 OG SER A 85 66.108 -7.964 -0.027 1.00 0.00 O ATOM 0 H SER A 85 67.978 -10.260 0.520 1.00 0.00 H new ATOM 0 HA SER A 85 66.272 -10.809 -1.766 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.116 -8.655 -1.705 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.759 -9.520 -0.223 1.00 0.00 H new ATOM 0 HG SER A 85 65.404 -7.315 0.181 1.00 0.00 H new ATOM 1263 N GLU A 86 67.637 -9.009 -3.088 1.00 0.00 N ATOM 1264 CA GLU A 86 68.680 -8.323 -3.857 1.00 0.00 C ATOM 1265 C GLU A 86 68.080 -7.237 -4.749 1.00 0.00 C ATOM 1266 O GLU A 86 66.924 -7.322 -5.165 1.00 0.00 O ATOM 1267 CB GLU A 86 69.440 -9.331 -4.731 1.00 0.00 C ATOM 1268 CG GLU A 86 70.243 -10.305 -3.852 1.00 0.00 C ATOM 1269 CD GLU A 86 69.336 -11.415 -3.331 1.00 0.00 C ATOM 1270 OE1 GLU A 86 69.852 -12.331 -2.708 1.00 0.00 O ATOM 1271 OE2 GLU A 86 68.142 -11.336 -3.567 1.00 0.00 O1- ATOM 0 H GLU A 86 66.789 -9.218 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 86 69.366 -7.857 -3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 86 68.737 -9.887 -5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 86 70.112 -8.802 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 86 71.062 -10.735 -4.428 1.00 0.00 H new ATOM 0 HG3 GLU A 86 70.690 -9.768 -3.015 1.00 0.00 H new ATOM 1278 N ALA A 87 68.891 -6.218 -5.042 1.00 0.00 N ATOM 1279 CA ALA A 87 68.471 -5.099 -5.889 1.00 0.00 C ATOM 1280 C ALA A 87 69.615 -4.716 -6.828 1.00 0.00 C ATOM 1281 O ALA A 87 70.787 -4.888 -6.489 1.00 0.00 O ATOM 1282 CB ALA A 87 68.086 -3.898 -5.019 1.00 0.00 C ATOM 0 H ALA A 87 69.850 -6.145 -4.702 1.00 0.00 H new ATOM 0 HA ALA A 87 67.604 -5.398 -6.477 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.775 -3.071 -5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.264 -4.175 -4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 87 68.944 -3.592 -4.421 1.00 0.00 H new ATOM 1288 N GLN A 88 69.273 -4.213 -8.017 1.00 0.00 N ATOM 1289 CA GLN A 88 70.287 -3.830 -9.011 1.00 0.00 C ATOM 1290 C GLN A 88 70.197 -2.347 -9.365 1.00 0.00 C ATOM 1291 O GLN A 88 69.143 -1.854 -9.766 1.00 0.00 O ATOM 1292 CB GLN A 88 70.085 -4.656 -10.283 1.00 0.00 C ATOM 1293 CG GLN A 88 70.409 -6.124 -10.005 1.00 0.00 C ATOM 1294 CD GLN A 88 70.066 -6.967 -11.228 1.00 0.00 C ATOM 1295 OE1 GLN A 88 69.713 -6.426 -12.275 1.00 0.00 O ATOM 1296 NE2 GLN A 88 70.136 -8.268 -11.155 1.00 0.00 N ATOM 0 H GLN A 88 68.310 -4.061 -8.316 1.00 0.00 H new ATOM 0 HA GLN A 88 71.269 -4.020 -8.579 1.00 0.00 H new ATOM 0 HB2 GLN A 88 69.056 -4.561 -10.630 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.726 -4.277 -11.079 1.00 0.00 H new ATOM 0 HG2 GLN A 88 71.466 -6.233 -9.761 1.00 0.00 H new ATOM 0 HG3 GLN A 88 69.844 -6.474 -9.141 1.00 0.00 H new ATOM 0 HE21 GLN A 88 70.429 -8.715 -10.286 1.00 0.00 H new ATOM 0 HE22 GLN A 88 69.898 -8.838 -11.967 1.00 0.00 H new ATOM 1305 N LEU A 89 71.331 -1.651 -9.243 1.00 0.00 N ATOM 1306 CA LEU A 89 71.415 -0.227 -9.579 1.00 0.00 C ATOM 1307 C LEU A 89 72.325 -0.060 -10.787 1.00 0.00 C ATOM 1308 O LEU A 89 73.516 -0.369 -10.724 1.00 0.00 O ATOM 1309 CB LEU A 89 71.985 0.561 -8.391 1.00 0.00 C ATOM 1310 CG LEU A 89 72.141 2.048 -8.741 1.00 0.00 C ATOM 1311 CD1 LEU A 89 70.784 2.647 -9.146 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.689 2.784 -7.513 1.00 0.00 C ATOM 0 H LEU A 89 72.208 -2.053 -8.912 1.00 0.00 H new ATOM 0 HA LEU A 89 70.419 0.154 -9.807 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.326 0.454 -7.529 1.00 0.00 H new ATOM 0 HB3 LEU A 89 72.952 0.147 -8.106 1.00 0.00 H new ATOM 0 HG LEU A 89 72.828 2.156 -9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 89 70.910 3.702 -9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 89 70.397 2.116 -10.016 1.00 0.00 H new ATOM 0 HD13 LEU A 89 70.081 2.549 -8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 89 72.806 3.843 -7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 89 71.995 2.670 -6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 89 73.657 2.364 -7.239 1.00 0.00 H new ATOM 1324 N LYS A 90 71.758 0.420 -11.888 1.00 0.00 N ATOM 1325 CA LYS A 90 72.520 0.615 -13.122 1.00 0.00 C ATOM 1326 C LYS A 90 72.332 2.034 -13.643 1.00 0.00 C ATOM 1327 O LYS A 90 71.270 2.626 -13.471 1.00 0.00 O ATOM 1328 CB LYS A 90 72.053 -0.392 -14.175 1.00 0.00 C ATOM 1329 CG LYS A 90 72.414 -1.809 -13.711 1.00 0.00 C ATOM 1330 CD LYS A 90 72.009 -2.842 -14.774 1.00 0.00 C ATOM 1331 CE LYS A 90 70.493 -3.060 -14.758 1.00 0.00 C ATOM 1332 NZ LYS A 90 70.154 -4.220 -15.628 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.774 0.682 -11.954 1.00 0.00 H new ATOM 0 HA LYS A 90 73.578 0.459 -12.914 1.00 0.00 H new ATOM 0 HB2 LYS A 90 70.976 -0.308 -14.324 1.00 0.00 H new ATOM 0 HB3 LYS A 90 72.525 -0.179 -15.134 1.00 0.00 H new ATOM 0 HG2 LYS A 90 73.485 -1.874 -13.521 1.00 0.00 H new ATOM 0 HG3 LYS A 90 71.910 -2.030 -12.770 1.00 0.00 H new ATOM 0 HD2 LYS A 90 72.323 -2.500 -15.760 1.00 0.00 H new ATOM 0 HD3 LYS A 90 72.520 -3.786 -14.586 1.00 0.00 H new ATOM 0 HE2 LYS A 90 70.151 -3.242 -13.739 1.00 0.00 H new ATOM 0 HE3 LYS A 90 69.981 -2.164 -15.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 69.125 -4.371 -15.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 70.468 -4.028 -16.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 70.632 -5.072 -15.272 1.00 0.00 H new ATOM 1346 N VAL A 91 73.368 2.579 -14.282 1.00 0.00 N ATOM 1347 CA VAL A 91 73.298 3.938 -14.824 1.00 0.00 C ATOM 1348 C VAL A 91 73.184 3.889 -16.341 1.00 0.00 C ATOM 1349 O VAL A 91 74.003 3.266 -17.017 1.00 0.00 O ATOM 1350 CB VAL A 91 74.555 4.724 -14.426 1.00 0.00 C ATOM 1351 CG1 VAL A 91 74.286 6.228 -14.552 1.00 0.00 C ATOM 1352 CG2 VAL A 91 74.924 4.389 -12.978 1.00 0.00 C ATOM 0 H VAL A 91 74.258 2.106 -14.436 1.00 0.00 H new ATOM 0 HA VAL A 91 72.418 4.436 -14.416 1.00 0.00 H new ATOM 0 HB VAL A 91 75.378 4.451 -15.086 1.00 0.00 H new ATOM 0 HG11 VAL A 91 75.181 6.783 -14.269 1.00 0.00 H new ATOM 0 HG12 VAL A 91 74.023 6.465 -15.583 1.00 0.00 H new ATOM 0 HG13 VAL A 91 73.463 6.507 -13.894 1.00 0.00 H new ATOM 0 HG21 VAL A 91 75.816 4.946 -12.692 1.00 0.00 H new ATOM 0 HG22 VAL A 91 74.099 4.662 -12.320 1.00 0.00 H new ATOM 0 HG23 VAL A 91 75.119 3.320 -12.890 1.00 0.00 H new ATOM 1362 N THR A 92 72.156 4.547 -16.872 1.00 0.00 N ATOM 1363 CA THR A 92 71.935 4.567 -18.318 1.00 0.00 C ATOM 1364 C THR A 92 72.511 5.834 -18.937 1.00 0.00 C ATOM 1365 O THR A 92 72.816 6.799 -18.237 1.00 0.00 O ATOM 1366 CB THR A 92 70.439 4.492 -18.621 1.00 0.00 C ATOM 1367 OG1 THR A 92 70.243 4.432 -20.028 1.00 0.00 O ATOM 1368 CG2 THR A 92 69.741 5.731 -18.060 1.00 0.00 C ATOM 0 H THR A 92 71.468 5.069 -16.330 1.00 0.00 H new ATOM 0 HA THR A 92 72.440 3.703 -18.749 1.00 0.00 H new ATOM 0 HB THR A 92 70.019 3.599 -18.158 1.00 0.00 H new ATOM 0 HG1 THR A 92 69.284 4.382 -20.223 1.00 0.00 H new ATOM 0 HG21 THR A 92 68.674 5.677 -18.276 1.00 0.00 H new ATOM 0 HG22 THR A 92 69.891 5.776 -16.981 1.00 0.00 H new ATOM 0 HG23 THR A 92 70.160 6.625 -18.522 1.00 0.00 H new