USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 688 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 32 LYS NZ :NH3+ 166:sc= 2.41 (180deg=0.923) USER MOD Set 1.2: A 62 THR OG1 : rot -41:sc= 1.1 USER MOD Set 2.1: A 42 THR OG1 : rot 91:sc= 0.275 USER MOD Set 2.2: A 45 SER OG : rot 120:sc= 0.319 USER MOD Set 3.1: A 12 ASN : amide:sc= 0.136 X(o=-1.4,f=-1.6) USER MOD Set 3.2: A 88 ASN : amide:sc= -1.54! X(o=-1.4!,f=-1.6) USER MOD Set 4.1: A 11 THR OG1 : rot 180:sc=-0.00643 USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc= -1.57 USER MOD Set 5.1: A 10 THR OG1 : rot -18:sc= 0.434 USER MOD Set 5.2: A 49 GLN : amide:sc= -1.07 K(o=-1.5,f=-2.8!) USER MOD Set 5.3: A 80 HIS : no HD1:sc= -0.852 K(o=-1.5,f=0.57) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.041 (180deg=-0.015) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 165:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -166:sc=-0.00666 (180deg=-0.118) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0972 USER MOD Single : A 26 MET CE :methyl -171:sc= -0.744 (180deg=-0.912) USER MOD Single : A 27 SER OG : rot 180:sc= -0.113 USER MOD Single : A 29 ASN : amide:sc= -2.84! C(o=-2.8!,f=-4.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 46 MET CE :methyl -141:sc= -1.23 (180deg=-4.42!) USER MOD Single : A 56 GLN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= 1.35 (180deg=1.21) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 69 LYS NZ :NH3+ -146:sc= 1.17 (180deg=-0.903!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0.499 USER MOD Single : A 85 THR OG1 : rot 29:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.901 5.457 -5.280 1.00 0.00 N ATOM 2 CA MET A 1 -19.096 4.094 -5.808 1.00 0.00 C ATOM 3 C MET A 1 -18.401 3.081 -4.925 1.00 0.00 C ATOM 4 O MET A 1 -17.383 3.393 -4.289 1.00 0.00 O ATOM 5 CB MET A 1 -18.540 3.962 -7.237 1.00 0.00 C ATOM 6 CG MET A 1 -19.256 4.787 -8.283 1.00 0.00 C ATOM 7 SD MET A 1 -18.529 4.594 -9.919 1.00 0.00 S ATOM 8 CE MET A 1 -19.600 5.658 -10.885 1.00 0.00 C ATOM 0 H1 MET A 1 -19.820 5.855 -4.998 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.270 5.422 -4.454 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.475 6.057 -6.015 1.00 0.00 H new ATOM 0 HA MET A 1 -20.169 3.904 -5.823 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.488 4.248 -7.229 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.583 2.913 -7.532 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.306 4.495 -8.317 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.227 5.838 -7.996 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.280 5.647 -11.927 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.627 5.299 -10.817 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.546 6.676 -10.499 1.00 0.00 H new ATOM 18 N THR A 2 -18.934 1.878 -4.869 1.00 0.00 N ATOM 19 CA THR A 2 -18.288 0.828 -4.137 1.00 0.00 C ATOM 20 C THR A 2 -17.269 0.155 -5.045 1.00 0.00 C ATOM 21 O THR A 2 -17.610 -0.465 -6.068 1.00 0.00 O ATOM 22 CB THR A 2 -19.290 -0.208 -3.509 1.00 0.00 C ATOM 23 OG1 THR A 2 -18.572 -1.258 -2.829 1.00 0.00 O ATOM 24 CG2 THR A 2 -20.231 -0.815 -4.545 1.00 0.00 C ATOM 0 H THR A 2 -19.808 1.612 -5.322 1.00 0.00 H new ATOM 0 HA THR A 2 -17.782 1.274 -3.281 1.00 0.00 H new ATOM 0 HB THR A 2 -19.901 0.342 -2.793 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.210 -1.893 -2.442 1.00 0.00 H new ATOM 0 HG21 THR A 2 -20.901 -1.523 -4.057 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.817 -0.024 -5.012 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.648 -1.333 -5.307 1.00 0.00 H new ATOM 32 N GLU A 3 -16.030 0.314 -4.699 1.00 0.00 N ATOM 33 CA GLU A 3 -14.946 -0.189 -5.474 1.00 0.00 C ATOM 34 C GLU A 3 -14.010 -0.863 -4.562 1.00 0.00 C ATOM 35 O GLU A 3 -13.702 -0.340 -3.505 1.00 0.00 O ATOM 36 CB GLU A 3 -14.261 0.951 -6.196 1.00 0.00 C ATOM 37 CG GLU A 3 -15.188 1.653 -7.131 1.00 0.00 C ATOM 38 CD GLU A 3 -14.602 2.868 -7.773 1.00 0.00 C ATOM 39 OE1 GLU A 3 -14.527 3.922 -7.114 1.00 0.00 O ATOM 40 OE2 GLU A 3 -14.198 2.801 -8.951 1.00 0.00 O ATOM 0 H GLU A 3 -15.741 0.807 -3.854 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.304 -0.895 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.873 1.662 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.406 0.567 -6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.497 0.956 -7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.087 1.941 -6.586 1.00 0.00 H new ATOM 47 N VAL A 4 -13.576 -2.010 -4.935 1.00 0.00 N ATOM 48 CA VAL A 4 -12.713 -2.805 -4.085 1.00 0.00 C ATOM 49 C VAL A 4 -11.550 -3.430 -4.836 1.00 0.00 C ATOM 50 O VAL A 4 -11.640 -3.735 -6.028 1.00 0.00 O ATOM 51 CB VAL A 4 -13.496 -3.921 -3.328 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.451 -3.331 -2.300 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.263 -4.790 -4.316 1.00 0.00 C ATOM 0 H VAL A 4 -13.798 -2.440 -5.833 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.308 -2.100 -3.359 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.769 -4.537 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.980 -4.136 -1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.887 -2.750 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.171 -2.684 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.805 -5.565 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.970 -4.173 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.564 -5.255 -5.011 1.00 0.00 H new ATOM 63 N TYR A 5 -10.467 -3.574 -4.127 1.00 0.00 N ATOM 64 CA TYR A 5 -9.260 -4.249 -4.595 1.00 0.00 C ATOM 65 C TYR A 5 -8.908 -5.363 -3.623 1.00 0.00 C ATOM 66 O TYR A 5 -9.120 -5.221 -2.420 1.00 0.00 O ATOM 67 CB TYR A 5 -8.060 -3.293 -4.667 1.00 0.00 C ATOM 68 CG TYR A 5 -8.201 -2.097 -5.569 1.00 0.00 C ATOM 69 CD1 TYR A 5 -8.540 -2.236 -6.906 1.00 0.00 C ATOM 70 CD2 TYR A 5 -7.980 -0.820 -5.078 1.00 0.00 C ATOM 71 CE1 TYR A 5 -8.656 -1.136 -7.726 1.00 0.00 C ATOM 72 CE2 TYR A 5 -8.091 0.283 -5.891 1.00 0.00 C ATOM 73 CZ TYR A 5 -8.429 0.123 -7.214 1.00 0.00 C ATOM 74 OH TYR A 5 -8.553 1.227 -8.029 1.00 0.00 O ATOM 0 H TYR A 5 -10.383 -3.218 -3.175 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.464 -4.634 -5.594 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.849 -2.936 -3.659 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.190 -3.863 -4.992 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.716 -3.222 -7.310 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.716 -0.689 -4.039 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -8.924 -1.259 -8.765 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.913 1.271 -5.492 1.00 0.00 H new ATOM 0 HH TYR A 5 -8.599 2.036 -7.479 1.00 0.00 H new ATOM 84 N ASP A 6 -8.437 -6.474 -4.131 1.00 0.00 N ATOM 85 CA ASP A 6 -7.940 -7.542 -3.270 1.00 0.00 C ATOM 86 C ASP A 6 -6.470 -7.310 -3.077 1.00 0.00 C ATOM 87 O ASP A 6 -5.706 -7.348 -4.036 1.00 0.00 O ATOM 88 CB ASP A 6 -8.108 -8.918 -3.895 1.00 0.00 C ATOM 89 CG ASP A 6 -9.530 -9.288 -4.234 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.223 -9.884 -3.384 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.963 -9.029 -5.380 1.00 0.00 O ATOM 0 H ASP A 6 -8.383 -6.672 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.505 -7.522 -2.338 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.508 -8.965 -4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.706 -9.665 -3.210 1.00 0.00 H new ATOM 96 N LEU A 7 -6.078 -7.060 -1.883 1.00 0.00 N ATOM 97 CA LEU A 7 -4.712 -6.766 -1.578 1.00 0.00 C ATOM 98 C LEU A 7 -4.075 -7.903 -0.821 1.00 0.00 C ATOM 99 O LEU A 7 -4.743 -8.634 -0.083 1.00 0.00 O ATOM 100 CB LEU A 7 -4.572 -5.473 -0.738 1.00 0.00 C ATOM 101 CG LEU A 7 -4.909 -4.108 -1.395 1.00 0.00 C ATOM 102 CD1 LEU A 7 -6.361 -3.977 -1.734 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.488 -2.968 -0.502 1.00 0.00 C ATOM 0 H LEU A 7 -6.698 -7.052 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.205 -6.623 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.208 -5.581 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.543 -5.422 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.348 -4.065 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.542 -3.004 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.644 -4.764 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.956 -4.067 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.733 -2.020 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.013 -3.039 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.413 -3.019 -0.329 1.00 0.00 H new ATOM 115 N GLU A 8 -2.804 -8.046 -1.001 1.00 0.00 N ATOM 116 CA GLU A 8 -2.023 -9.011 -0.282 1.00 0.00 C ATOM 117 C GLU A 8 -1.129 -8.268 0.670 1.00 0.00 C ATOM 118 O GLU A 8 -0.378 -7.402 0.272 1.00 0.00 O ATOM 119 CB GLU A 8 -1.200 -9.857 -1.250 1.00 0.00 C ATOM 120 CG GLU A 8 -0.240 -10.819 -0.576 1.00 0.00 C ATOM 121 CD GLU A 8 0.508 -11.677 -1.557 1.00 0.00 C ATOM 122 OE1 GLU A 8 1.453 -11.185 -2.200 1.00 0.00 O ATOM 123 OE2 GLU A 8 0.172 -12.875 -1.678 1.00 0.00 O ATOM 0 H GLU A 8 -2.264 -7.488 -1.663 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.674 -9.688 0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.879 -10.425 -1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.633 -9.193 -1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.474 -10.253 0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.795 -11.459 0.110 1.00 0.00 H new ATOM 130 N ILE A 9 -1.242 -8.571 1.910 1.00 0.00 N ATOM 131 CA ILE A 9 -0.466 -7.914 2.912 1.00 0.00 C ATOM 132 C ILE A 9 0.754 -8.741 3.207 1.00 0.00 C ATOM 133 O ILE A 9 0.651 -9.937 3.515 1.00 0.00 O ATOM 134 CB ILE A 9 -1.268 -7.718 4.222 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.603 -6.982 3.966 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.429 -6.986 5.272 1.00 0.00 C ATOM 137 CD1 ILE A 9 -2.460 -5.602 3.340 1.00 0.00 C ATOM 0 H ILE A 9 -1.877 -9.285 2.268 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.188 -6.930 2.533 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.510 -8.707 4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.223 -7.599 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.135 -6.883 4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.015 -6.861 6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.466 -7.568 5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.140 -6.007 4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.447 -5.163 3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.870 -4.963 3.998 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.960 -5.690 2.376 1.00 0.00 H new ATOM 149 N THR A 10 1.872 -8.116 3.104 1.00 0.00 N ATOM 150 CA THR A 10 3.147 -8.715 3.367 1.00 0.00 C ATOM 151 C THR A 10 3.931 -7.820 4.285 1.00 0.00 C ATOM 152 O THR A 10 3.708 -6.616 4.310 1.00 0.00 O ATOM 153 CB THR A 10 3.956 -8.936 2.068 1.00 0.00 C ATOM 154 OG1 THR A 10 3.968 -7.735 1.272 1.00 0.00 O ATOM 155 CG2 THR A 10 3.418 -10.091 1.264 1.00 0.00 C ATOM 0 H THR A 10 1.935 -7.137 2.824 1.00 0.00 H new ATOM 0 HA THR A 10 2.974 -9.687 3.828 1.00 0.00 H new ATOM 0 HB THR A 10 4.978 -9.182 2.356 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.242 -7.144 1.561 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.014 -10.213 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.469 -11.003 1.858 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.381 -9.893 0.992 1.00 0.00 H new ATOM 163 N THR A 11 4.825 -8.387 5.019 1.00 0.00 N ATOM 164 CA THR A 11 5.655 -7.660 5.911 1.00 0.00 C ATOM 165 C THR A 11 6.962 -8.408 5.933 1.00 0.00 C ATOM 166 O THR A 11 7.033 -9.551 5.497 1.00 0.00 O ATOM 167 CB THR A 11 5.078 -7.644 7.355 1.00 0.00 C ATOM 168 OG1 THR A 11 3.673 -7.408 7.325 1.00 0.00 O ATOM 169 CG2 THR A 11 5.716 -6.553 8.222 1.00 0.00 C ATOM 0 H THR A 11 5.002 -9.392 5.014 1.00 0.00 H new ATOM 0 HA THR A 11 5.746 -6.624 5.585 1.00 0.00 H new ATOM 0 HB THR A 11 5.301 -8.620 7.787 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.323 -7.402 8.240 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.281 -6.581 9.221 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.790 -6.724 8.289 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.531 -5.577 7.773 1.00 0.00 H new ATOM 177 N ASN A 12 7.949 -7.790 6.422 1.00 0.00 N ATOM 178 CA ASN A 12 9.270 -8.398 6.529 1.00 0.00 C ATOM 179 C ASN A 12 9.300 -9.266 7.777 1.00 0.00 C ATOM 180 O ASN A 12 9.956 -10.301 7.828 1.00 0.00 O ATOM 181 CB ASN A 12 10.354 -7.308 6.605 1.00 0.00 C ATOM 182 CG ASN A 12 11.781 -7.856 6.671 1.00 0.00 C ATOM 183 OD1 ASN A 12 12.089 -8.931 6.141 1.00 0.00 O ATOM 184 ND2 ASN A 12 12.654 -7.118 7.300 1.00 0.00 N ATOM 0 H ASN A 12 7.900 -6.834 6.774 1.00 0.00 H new ATOM 0 HA ASN A 12 9.471 -9.010 5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.264 -6.659 5.734 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.172 -6.689 7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 12 13.625 -7.422 7.366 1.00 0.00 H new ATOM 0 HD22 ASN A 12 12.365 -6.237 7.725 1.00 0.00 H new ATOM 191 N ALA A 13 8.523 -8.847 8.762 1.00 0.00 N ATOM 192 CA ALA A 13 8.440 -9.527 10.029 1.00 0.00 C ATOM 193 C ALA A 13 7.416 -10.664 9.998 1.00 0.00 C ATOM 194 O ALA A 13 7.368 -11.482 10.909 1.00 0.00 O ATOM 195 CB ALA A 13 8.105 -8.535 11.136 1.00 0.00 C ATOM 0 H ALA A 13 7.931 -8.019 8.697 1.00 0.00 H new ATOM 0 HA ALA A 13 9.414 -9.972 10.232 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.045 -9.060 12.089 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.883 -7.773 11.190 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.147 -8.061 10.922 1.00 0.00 H new ATOM 201 N THR A 14 6.593 -10.709 8.967 1.00 0.00 N ATOM 202 CA THR A 14 5.605 -11.756 8.853 1.00 0.00 C ATOM 203 C THR A 14 6.012 -12.715 7.752 1.00 0.00 C ATOM 204 O THR A 14 6.515 -12.290 6.699 1.00 0.00 O ATOM 205 CB THR A 14 4.180 -11.194 8.579 1.00 0.00 C ATOM 206 OG1 THR A 14 4.181 -10.413 7.376 1.00 0.00 O ATOM 207 CG2 THR A 14 3.709 -10.326 9.741 1.00 0.00 C ATOM 0 H THR A 14 6.592 -10.035 8.202 1.00 0.00 H new ATOM 0 HA THR A 14 5.562 -12.281 9.807 1.00 0.00 H new ATOM 0 HB THR A 14 3.499 -12.038 8.468 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.280 -10.065 7.211 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.711 -9.944 9.528 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.682 -10.922 10.653 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.397 -9.491 9.873 1.00 0.00 H new ATOM 215 N ASP A 15 5.829 -13.978 7.980 1.00 0.00 N ATOM 216 CA ASP A 15 6.208 -14.978 7.003 1.00 0.00 C ATOM 217 C ASP A 15 5.037 -15.339 6.110 1.00 0.00 C ATOM 218 O ASP A 15 5.212 -15.633 4.926 1.00 0.00 O ATOM 219 CB ASP A 15 6.768 -16.223 7.697 1.00 0.00 C ATOM 220 CG ASP A 15 7.191 -17.304 6.728 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.224 -17.146 6.065 1.00 0.00 O ATOM 222 OD2 ASP A 15 6.516 -18.343 6.652 1.00 0.00 O ATOM 0 H ASP A 15 5.418 -14.353 8.835 1.00 0.00 H new ATOM 0 HA ASP A 15 6.990 -14.556 6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.624 -15.937 8.308 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.013 -16.625 8.373 1.00 0.00 H new ATOM 227 N PHE A 16 3.847 -15.278 6.662 1.00 0.00 N ATOM 228 CA PHE A 16 2.660 -15.655 5.930 1.00 0.00 C ATOM 229 C PHE A 16 1.858 -14.418 5.496 1.00 0.00 C ATOM 230 O PHE A 16 1.343 -13.676 6.338 1.00 0.00 O ATOM 231 CB PHE A 16 1.788 -16.578 6.781 1.00 0.00 C ATOM 232 CG PHE A 16 2.511 -17.804 7.276 1.00 0.00 C ATOM 233 CD1 PHE A 16 2.767 -18.864 6.430 1.00 0.00 C ATOM 234 CD2 PHE A 16 2.946 -17.883 8.591 1.00 0.00 C ATOM 235 CE1 PHE A 16 3.439 -19.982 6.879 1.00 0.00 C ATOM 236 CE2 PHE A 16 3.618 -19.001 9.048 1.00 0.00 C ATOM 237 CZ PHE A 16 3.864 -20.050 8.190 1.00 0.00 C ATOM 0 H PHE A 16 3.675 -14.970 7.619 1.00 0.00 H new ATOM 0 HA PHE A 16 2.972 -16.187 5.031 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.410 -16.019 7.637 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.923 -16.888 6.195 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.437 -18.818 5.403 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.757 -17.061 9.266 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.632 -20.803 6.205 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.949 -19.052 10.075 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.389 -20.925 8.543 1.00 0.00 H new ATOM 247 N PRO A 17 1.769 -14.166 4.176 1.00 0.00 N ATOM 248 CA PRO A 17 0.991 -13.052 3.623 1.00 0.00 C ATOM 249 C PRO A 17 -0.512 -13.259 3.827 1.00 0.00 C ATOM 250 O PRO A 17 -1.002 -14.400 3.846 1.00 0.00 O ATOM 251 CB PRO A 17 1.314 -13.087 2.118 1.00 0.00 C ATOM 252 CG PRO A 17 2.514 -13.954 1.993 1.00 0.00 C ATOM 253 CD PRO A 17 2.432 -14.934 3.121 1.00 0.00 C ATOM 0 HA PRO A 17 1.240 -12.106 4.105 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.478 -13.489 1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.511 -12.086 1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.527 -14.466 1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.429 -13.365 2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.859 -15.820 2.846 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.419 -15.277 3.431 1.00 0.00 H new ATOM 261 N MET A 18 -1.241 -12.178 3.971 1.00 0.00 N ATOM 262 CA MET A 18 -2.679 -12.243 4.181 1.00 0.00 C ATOM 263 C MET A 18 -3.367 -11.517 3.065 1.00 0.00 C ATOM 264 O MET A 18 -2.984 -10.406 2.734 1.00 0.00 O ATOM 265 CB MET A 18 -3.093 -11.590 5.513 1.00 0.00 C ATOM 266 CG MET A 18 -2.526 -12.227 6.767 1.00 0.00 C ATOM 267 SD MET A 18 -3.097 -11.384 8.262 1.00 0.00 S ATOM 268 CE MET A 18 -2.254 -12.320 9.534 1.00 0.00 C ATOM 0 H MET A 18 -0.863 -11.231 3.947 1.00 0.00 H new ATOM 0 HA MET A 18 -2.966 -13.294 4.208 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.790 -10.543 5.492 1.00 0.00 H new ATOM 0 HB3 MET A 18 -4.181 -11.606 5.581 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.819 -13.276 6.807 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.437 -12.201 6.728 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.510 -11.915 10.513 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.562 -13.364 9.481 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.177 -12.251 9.383 1.00 0.00 H new ATOM 278 N GLU A 19 -4.358 -12.119 2.487 1.00 0.00 N ATOM 279 CA GLU A 19 -5.094 -11.465 1.444 1.00 0.00 C ATOM 280 C GLU A 19 -6.381 -10.898 1.998 1.00 0.00 C ATOM 281 O GLU A 19 -7.134 -11.584 2.692 1.00 0.00 O ATOM 282 CB GLU A 19 -5.360 -12.397 0.253 1.00 0.00 C ATOM 283 CG GLU A 19 -6.068 -13.701 0.590 1.00 0.00 C ATOM 284 CD GLU A 19 -6.434 -14.492 -0.643 1.00 0.00 C ATOM 285 OE1 GLU A 19 -5.577 -15.238 -1.169 1.00 0.00 O ATOM 286 OE2 GLU A 19 -7.582 -14.352 -1.122 1.00 0.00 O ATOM 0 H GLU A 19 -4.678 -13.060 2.716 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.484 -10.645 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.958 -11.858 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.408 -12.633 -0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.425 -14.306 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.971 -13.484 1.161 1.00 0.00 H new ATOM 293 N LYS A 20 -6.620 -9.655 1.732 1.00 0.00 N ATOM 294 CA LYS A 20 -7.808 -9.024 2.186 1.00 0.00 C ATOM 295 C LYS A 20 -8.259 -8.014 1.169 1.00 0.00 C ATOM 296 O LYS A 20 -7.441 -7.405 0.485 1.00 0.00 O ATOM 297 CB LYS A 20 -7.609 -8.355 3.544 1.00 0.00 C ATOM 298 CG LYS A 20 -8.913 -7.860 4.109 1.00 0.00 C ATOM 299 CD LYS A 20 -8.755 -7.144 5.398 1.00 0.00 C ATOM 300 CE LYS A 20 -10.105 -6.638 5.885 1.00 0.00 C ATOM 301 NZ LYS A 20 -10.733 -5.671 4.929 1.00 0.00 N ATOM 0 H LYS A 20 -5.996 -9.053 1.195 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.574 -9.789 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.156 -9.064 4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.915 -7.521 3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.386 -7.195 3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.585 -8.706 4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.318 -7.810 6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.067 -6.307 5.276 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.775 -7.485 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.981 -6.156 6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.519 -5.179 5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.023 -4.976 4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.093 -6.186 4.101 1.00 0.00 H new ATOM 315 N LYS A 21 -9.530 -7.834 1.067 1.00 0.00 N ATOM 316 CA LYS A 21 -10.083 -6.928 0.132 1.00 0.00 C ATOM 317 C LYS A 21 -10.308 -5.590 0.830 1.00 0.00 C ATOM 318 O LYS A 21 -10.743 -5.547 1.997 1.00 0.00 O ATOM 319 CB LYS A 21 -11.390 -7.515 -0.396 1.00 0.00 C ATOM 320 CG LYS A 21 -12.029 -6.755 -1.540 1.00 0.00 C ATOM 321 CD LYS A 21 -13.313 -7.439 -2.007 1.00 0.00 C ATOM 322 CE LYS A 21 -13.062 -8.877 -2.462 1.00 0.00 C ATOM 323 NZ LYS A 21 -14.298 -9.552 -2.898 1.00 0.00 N ATOM 0 H LYS A 21 -10.220 -8.320 1.640 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.413 -6.766 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.203 -8.538 -0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.103 -7.567 0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.251 -5.736 -1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.327 -6.686 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.041 -7.437 -1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.749 -6.870 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.343 -8.876 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.612 -9.441 -1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.076 -10.523 -3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.976 -9.578 -2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.715 -9.031 -3.696 1.00 0.00 H new ATOM 337 N TYR A 22 -9.958 -4.529 0.152 1.00 0.00 N ATOM 338 CA TYR A 22 -10.113 -3.180 0.658 1.00 0.00 C ATOM 339 C TYR A 22 -10.747 -2.310 -0.406 1.00 0.00 C ATOM 340 O TYR A 22 -10.556 -2.556 -1.597 1.00 0.00 O ATOM 341 CB TYR A 22 -8.757 -2.560 1.062 1.00 0.00 C ATOM 342 CG TYR A 22 -8.065 -3.193 2.245 1.00 0.00 C ATOM 343 CD1 TYR A 22 -8.341 -2.764 3.533 1.00 0.00 C ATOM 344 CD2 TYR A 22 -7.122 -4.198 2.077 1.00 0.00 C ATOM 345 CE1 TYR A 22 -7.701 -3.319 4.619 1.00 0.00 C ATOM 346 CE2 TYR A 22 -6.477 -4.755 3.157 1.00 0.00 C ATOM 347 CZ TYR A 22 -6.771 -4.311 4.426 1.00 0.00 C ATOM 348 OH TYR A 22 -6.129 -4.859 5.507 1.00 0.00 O ATOM 0 H TYR A 22 -9.550 -4.572 -0.782 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.747 -3.231 1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.087 -2.612 0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.914 -1.504 1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.070 -1.982 3.688 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.891 -4.548 1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.929 -2.976 5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.745 -5.535 3.010 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.503 -5.548 5.201 1.00 0.00 H new ATOM 358 N PRO A 23 -11.526 -1.297 -0.010 1.00 0.00 N ATOM 359 CA PRO A 23 -12.132 -0.361 -0.955 1.00 0.00 C ATOM 360 C PRO A 23 -11.086 0.478 -1.694 1.00 0.00 C ATOM 361 O PRO A 23 -10.053 0.815 -1.142 1.00 0.00 O ATOM 362 CB PRO A 23 -12.980 0.561 -0.069 1.00 0.00 C ATOM 363 CG PRO A 23 -13.136 -0.161 1.220 1.00 0.00 C ATOM 364 CD PRO A 23 -11.904 -0.992 1.382 1.00 0.00 C ATOM 0 HA PRO A 23 -12.697 -0.888 -1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.490 1.524 0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.949 0.762 -0.526 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.245 0.539 2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.029 -0.786 1.211 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.116 -0.449 1.905 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.101 -1.898 1.955 1.00 0.00 H new ATOM 372 N ALA A 24 -11.370 0.820 -2.933 1.00 0.00 N ATOM 373 CA ALA A 24 -10.481 1.666 -3.732 1.00 0.00 C ATOM 374 C ALA A 24 -10.354 3.074 -3.145 1.00 0.00 C ATOM 375 O ALA A 24 -9.352 3.773 -3.354 1.00 0.00 O ATOM 376 CB ALA A 24 -10.967 1.726 -5.160 1.00 0.00 C ATOM 0 H ALA A 24 -12.216 0.526 -3.421 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.488 1.218 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.299 2.358 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.980 0.721 -5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.974 2.142 -5.184 1.00 0.00 H new ATOM 382 N GLY A 25 -11.354 3.458 -2.400 1.00 0.00 N ATOM 383 CA GLY A 25 -11.387 4.770 -1.780 1.00 0.00 C ATOM 384 C GLY A 25 -10.816 4.757 -0.372 1.00 0.00 C ATOM 385 O GLY A 25 -10.888 5.752 0.346 1.00 0.00 O ATOM 0 H GLY A 25 -12.170 2.879 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.822 5.473 -2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.416 5.129 -1.749 1.00 0.00 H new ATOM 389 N MET A 26 -10.265 3.624 0.020 1.00 0.00 N ATOM 390 CA MET A 26 -9.652 3.445 1.337 1.00 0.00 C ATOM 391 C MET A 26 -8.353 4.233 1.417 1.00 0.00 C ATOM 392 O MET A 26 -7.651 4.395 0.407 1.00 0.00 O ATOM 393 CB MET A 26 -9.350 1.964 1.527 1.00 0.00 C ATOM 394 CG MET A 26 -8.746 1.534 2.848 1.00 0.00 C ATOM 395 SD MET A 26 -9.863 1.758 4.227 1.00 0.00 S ATOM 396 CE MET A 26 -8.919 0.957 5.517 1.00 0.00 C ATOM 0 H MET A 26 -10.226 2.790 -0.566 1.00 0.00 H new ATOM 0 HA MET A 26 -10.331 3.801 2.112 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.279 1.411 1.387 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.672 1.655 0.731 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.458 0.484 2.786 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.835 2.104 3.028 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.534 0.862 6.412 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.611 -0.033 5.181 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.036 1.554 5.745 1.00 0.00 H new ATOM 406 N SER A 27 -8.037 4.710 2.591 1.00 0.00 N ATOM 407 CA SER A 27 -6.805 5.416 2.802 1.00 0.00 C ATOM 408 C SER A 27 -5.763 4.447 3.236 1.00 0.00 C ATOM 409 O SER A 27 -6.050 3.483 3.968 1.00 0.00 O ATOM 410 CB SER A 27 -6.964 6.518 3.849 1.00 0.00 C ATOM 411 OG SER A 27 -7.457 6.011 5.059 1.00 0.00 O ATOM 0 H SER A 27 -8.622 4.621 3.422 1.00 0.00 H new ATOM 0 HA SER A 27 -6.510 5.892 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.001 7.000 4.021 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.641 7.284 3.472 1.00 0.00 H new ATOM 0 HG SER A 27 -7.545 6.740 5.707 1.00 0.00 H new ATOM 417 N LEU A 28 -4.565 4.674 2.782 1.00 0.00 N ATOM 418 CA LEU A 28 -3.446 3.852 3.147 1.00 0.00 C ATOM 419 C LEU A 28 -3.246 3.966 4.668 1.00 0.00 C ATOM 420 O LEU A 28 -2.902 3.008 5.321 1.00 0.00 O ATOM 421 CB LEU A 28 -2.221 4.355 2.363 1.00 0.00 C ATOM 422 CG LEU A 28 -0.974 3.442 2.220 1.00 0.00 C ATOM 423 CD1 LEU A 28 -0.267 3.223 3.531 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.353 2.106 1.592 1.00 0.00 C ATOM 0 H LEU A 28 -4.335 5.437 2.146 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.604 2.801 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.558 4.606 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.893 5.284 2.831 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.278 3.961 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.598 2.578 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.063 4.182 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.949 2.751 4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.464 1.482 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.087 1.603 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.779 2.277 0.603 1.00 0.00 H new ATOM 436 N ASN A 29 -3.555 5.143 5.210 1.00 0.00 N ATOM 437 CA ASN A 29 -3.372 5.411 6.663 1.00 0.00 C ATOM 438 C ASN A 29 -4.336 4.642 7.531 1.00 0.00 C ATOM 439 O ASN A 29 -3.950 4.123 8.579 1.00 0.00 O ATOM 440 CB ASN A 29 -3.425 6.909 7.007 1.00 0.00 C ATOM 441 CG ASN A 29 -2.227 7.675 6.496 1.00 0.00 C ATOM 442 OD1 ASN A 29 -1.135 7.133 6.378 1.00 0.00 O ATOM 443 ND2 ASN A 29 -2.415 8.927 6.188 1.00 0.00 N ATOM 0 H ASN A 29 -3.931 5.930 4.682 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.367 5.053 6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.332 7.341 6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.489 7.026 8.089 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.639 9.488 5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.338 9.346 6.299 1.00 0.00 H new ATOM 450 N ASP A 30 -5.581 4.536 7.105 1.00 0.00 N ATOM 451 CA ASP A 30 -6.573 3.812 7.905 1.00 0.00 C ATOM 452 C ASP A 30 -6.287 2.328 7.822 1.00 0.00 C ATOM 453 O ASP A 30 -6.553 1.565 8.754 1.00 0.00 O ATOM 454 CB ASP A 30 -7.976 4.081 7.393 1.00 0.00 C ATOM 455 CG ASP A 30 -9.044 3.610 8.361 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.193 4.215 9.447 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.742 2.635 8.071 1.00 0.00 O ATOM 0 H ASP A 30 -5.932 4.929 6.232 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.508 4.153 8.938 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.096 5.150 7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.112 3.581 6.434 1.00 0.00 H new ATOM 462 N LEU A 31 -5.697 1.950 6.709 1.00 0.00 N ATOM 463 CA LEU A 31 -5.343 0.574 6.413 1.00 0.00 C ATOM 464 C LEU A 31 -4.133 0.220 7.276 1.00 0.00 C ATOM 465 O LEU A 31 -4.056 -0.872 7.819 1.00 0.00 O ATOM 466 CB LEU A 31 -5.030 0.489 4.895 1.00 0.00 C ATOM 467 CG LEU A 31 -5.048 -0.888 4.187 1.00 0.00 C ATOM 468 CD1 LEU A 31 -4.841 -0.703 2.697 1.00 0.00 C ATOM 469 CD2 LEU A 31 -3.995 -1.819 4.725 1.00 0.00 C ATOM 0 H LEU A 31 -5.444 2.603 5.967 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.143 -0.132 6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.744 1.131 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.042 0.922 4.741 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.021 -1.339 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.855 -1.675 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.639 -0.080 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.880 -0.220 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.047 -2.771 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.009 -1.377 4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.165 -1.984 5.789 1.00 0.00 H new ATOM 481 N LYS A 32 -3.200 1.168 7.410 1.00 0.00 N ATOM 482 CA LYS A 32 -2.053 0.996 8.310 1.00 0.00 C ATOM 483 C LYS A 32 -2.542 0.779 9.701 1.00 0.00 C ATOM 484 O LYS A 32 -2.107 -0.103 10.341 1.00 0.00 O ATOM 485 CB LYS A 32 -1.122 2.217 8.333 1.00 0.00 C ATOM 486 CG LYS A 32 -0.490 2.563 7.017 1.00 0.00 C ATOM 487 CD LYS A 32 0.495 3.734 7.141 1.00 0.00 C ATOM 488 CE LYS A 32 1.644 3.428 8.106 1.00 0.00 C ATOM 489 NZ LYS A 32 2.625 4.537 8.172 1.00 0.00 N ATOM 0 H LYS A 32 -3.215 2.057 6.911 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.491 0.140 7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.689 3.079 8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.331 2.037 9.062 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.032 1.690 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.268 2.818 6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.902 3.969 6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.039 4.620 7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.241 3.241 9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.149 2.515 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.247 4.402 8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.197 4.547 7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.120 5.442 8.265 1.00 0.00 H new ATOM 503 N LYS A 33 -3.489 1.590 10.131 1.00 0.00 N ATOM 504 CA LYS A 33 -4.049 1.532 11.485 1.00 0.00 C ATOM 505 C LYS A 33 -4.655 0.139 11.748 1.00 0.00 C ATOM 506 O LYS A 33 -4.633 -0.375 12.883 1.00 0.00 O ATOM 507 CB LYS A 33 -5.136 2.601 11.584 1.00 0.00 C ATOM 508 CG LYS A 33 -5.477 3.052 12.988 1.00 0.00 C ATOM 509 CD LYS A 33 -4.278 3.740 13.636 1.00 0.00 C ATOM 510 CE LYS A 33 -3.774 4.944 12.810 1.00 0.00 C ATOM 511 NZ LYS A 33 -4.798 6.004 12.661 1.00 0.00 N ATOM 0 H LYS A 33 -3.902 2.320 9.550 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.270 1.709 12.227 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.820 3.471 11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.042 2.219 11.113 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.325 3.736 12.960 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.779 2.194 13.588 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.552 4.078 14.635 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.469 3.019 13.754 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.890 5.364 13.290 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.468 4.599 11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.408 6.787 12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.633 5.615 12.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.073 6.355 13.600 1.00 0.00 H new ATOM 525 N LYS A 34 -5.192 -0.452 10.705 1.00 0.00 N ATOM 526 CA LYS A 34 -5.718 -1.761 10.725 1.00 0.00 C ATOM 527 C LYS A 34 -4.579 -2.789 10.768 1.00 0.00 C ATOM 528 O LYS A 34 -4.618 -3.745 11.540 1.00 0.00 O ATOM 529 CB LYS A 34 -6.575 -1.904 9.476 1.00 0.00 C ATOM 530 CG LYS A 34 -7.928 -1.218 9.528 1.00 0.00 C ATOM 531 CD LYS A 34 -8.793 -1.759 10.661 1.00 0.00 C ATOM 532 CE LYS A 34 -10.162 -1.112 10.667 1.00 0.00 C ATOM 533 NZ LYS A 34 -11.019 -1.640 11.743 1.00 0.00 N ATOM 0 H LYS A 34 -5.268 -0.001 9.794 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.325 -1.941 11.612 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.018 -1.506 8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.733 -2.965 9.285 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.787 -0.145 9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.444 -1.358 8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.899 -2.839 10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.299 -1.579 11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.053 -0.034 10.787 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.645 -1.278 9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.946 -1.170 11.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.145 -2.664 11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.571 -1.459 12.664 1.00 0.00 H new ATOM 547 N LEU A 35 -3.559 -2.557 9.970 1.00 0.00 N ATOM 548 CA LEU A 35 -2.393 -3.396 9.933 1.00 0.00 C ATOM 549 C LEU A 35 -1.606 -3.301 11.236 1.00 0.00 C ATOM 550 O LEU A 35 -1.042 -4.277 11.689 1.00 0.00 O ATOM 551 CB LEU A 35 -1.532 -3.027 8.744 1.00 0.00 C ATOM 552 CG LEU A 35 -2.119 -3.312 7.364 1.00 0.00 C ATOM 553 CD1 LEU A 35 -1.115 -2.987 6.271 1.00 0.00 C ATOM 554 CD2 LEU A 35 -2.599 -4.754 7.253 1.00 0.00 C ATOM 0 H LEU A 35 -3.521 -1.769 9.323 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.711 -4.433 9.823 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.304 -1.963 8.805 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.586 -3.561 8.829 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.986 -2.664 7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.556 -3.198 5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.846 -1.932 6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.222 -3.597 6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.011 -4.925 6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.761 -5.430 7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.369 -4.940 8.002 1.00 0.00 H new ATOM 566 N GLU A 36 -1.597 -2.126 11.822 1.00 0.00 N ATOM 567 CA GLU A 36 -1.014 -1.860 13.112 1.00 0.00 C ATOM 568 C GLU A 36 -1.609 -2.778 14.163 1.00 0.00 C ATOM 569 O GLU A 36 -0.929 -3.216 15.076 1.00 0.00 O ATOM 570 CB GLU A 36 -1.279 -0.402 13.481 1.00 0.00 C ATOM 571 CG GLU A 36 -0.398 0.619 12.795 1.00 0.00 C ATOM 572 CD GLU A 36 -0.759 2.027 13.208 1.00 0.00 C ATOM 573 OE1 GLU A 36 -0.434 2.425 14.362 1.00 0.00 O ATOM 574 OE2 GLU A 36 -1.398 2.732 12.428 1.00 0.00 O ATOM 0 H GLU A 36 -2.013 -1.298 11.394 1.00 0.00 H new ATOM 0 HA GLU A 36 0.060 -2.042 13.069 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.319 -0.171 13.250 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.160 -0.292 14.559 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.646 0.423 13.039 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.497 0.519 11.714 1.00 0.00 H new ATOM 581 N LEU A 37 -2.872 -3.091 13.996 1.00 0.00 N ATOM 582 CA LEU A 37 -3.580 -3.941 14.923 1.00 0.00 C ATOM 583 C LEU A 37 -3.166 -5.408 14.727 1.00 0.00 C ATOM 584 O LEU A 37 -3.130 -6.196 15.676 1.00 0.00 O ATOM 585 CB LEU A 37 -5.092 -3.776 14.714 1.00 0.00 C ATOM 586 CG LEU A 37 -6.006 -4.520 15.694 1.00 0.00 C ATOM 587 CD1 LEU A 37 -5.776 -4.046 17.122 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.457 -4.337 15.295 1.00 0.00 C ATOM 0 H LEU A 37 -3.438 -2.763 13.213 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.327 -3.650 15.943 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.329 -2.713 14.767 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.334 -4.107 13.704 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.763 -5.582 15.653 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.437 -4.590 17.797 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.739 -4.229 17.404 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.987 -2.979 17.190 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.098 -4.870 15.998 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.707 -3.276 15.308 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.611 -4.733 14.291 1.00 0.00 H new ATOM 600 N VAL A 38 -2.843 -5.756 13.503 1.00 0.00 N ATOM 601 CA VAL A 38 -2.481 -7.123 13.163 1.00 0.00 C ATOM 602 C VAL A 38 -0.975 -7.374 13.365 1.00 0.00 C ATOM 603 O VAL A 38 -0.569 -8.409 13.898 1.00 0.00 O ATOM 604 CB VAL A 38 -2.861 -7.435 11.684 1.00 0.00 C ATOM 605 CG1 VAL A 38 -2.514 -8.868 11.304 1.00 0.00 C ATOM 606 CG2 VAL A 38 -4.339 -7.167 11.444 1.00 0.00 C ATOM 0 H VAL A 38 -2.822 -5.108 12.715 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.036 -7.782 13.831 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.274 -6.772 11.048 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.794 -9.047 10.266 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.442 -9.027 11.423 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.057 -9.557 11.950 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.585 -7.390 10.406 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.935 -7.799 12.103 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.557 -6.119 11.651 1.00 0.00 H new ATOM 616 N VAL A 39 -0.164 -6.420 12.969 1.00 0.00 N ATOM 617 CA VAL A 39 1.282 -6.568 13.032 1.00 0.00 C ATOM 618 C VAL A 39 1.836 -6.090 14.376 1.00 0.00 C ATOM 619 O VAL A 39 2.901 -6.527 14.800 1.00 0.00 O ATOM 620 CB VAL A 39 1.989 -5.835 11.839 1.00 0.00 C ATOM 621 CG1 VAL A 39 3.482 -6.141 11.806 1.00 0.00 C ATOM 622 CG2 VAL A 39 1.348 -6.222 10.511 1.00 0.00 C ATOM 0 H VAL A 39 -0.479 -5.524 12.596 1.00 0.00 H new ATOM 0 HA VAL A 39 1.501 -7.632 12.942 1.00 0.00 H new ATOM 0 HB VAL A 39 1.863 -4.763 11.993 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.942 -5.618 10.968 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.942 -5.810 12.737 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.631 -7.214 11.690 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.854 -5.702 9.698 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.437 -7.298 10.364 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.294 -5.943 10.520 1.00 0.00 H new ATOM 632 N GLY A 40 1.104 -5.212 15.054 1.00 0.00 N ATOM 633 CA GLY A 40 1.564 -4.712 16.343 1.00 0.00 C ATOM 634 C GLY A 40 2.498 -3.527 16.197 1.00 0.00 C ATOM 635 O GLY A 40 3.025 -3.010 17.176 1.00 0.00 O ATOM 0 H GLY A 40 0.208 -4.839 14.740 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.704 -4.422 16.946 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.075 -5.511 16.880 1.00 0.00 H new ATOM 639 N THR A 41 2.696 -3.097 14.977 1.00 0.00 N ATOM 640 CA THR A 41 3.572 -1.969 14.695 1.00 0.00 C ATOM 641 C THR A 41 2.796 -0.631 14.901 1.00 0.00 C ATOM 642 O THR A 41 1.588 -0.645 15.159 1.00 0.00 O ATOM 643 CB THR A 41 4.068 -2.091 13.242 1.00 0.00 C ATOM 644 OG1 THR A 41 4.466 -3.448 13.045 1.00 0.00 O ATOM 645 CG2 THR A 41 5.290 -1.215 12.983 1.00 0.00 C ATOM 0 H THR A 41 2.262 -3.509 14.151 1.00 0.00 H new ATOM 0 HA THR A 41 4.425 -1.973 15.373 1.00 0.00 H new ATOM 0 HB THR A 41 3.268 -1.777 12.571 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.787 -3.565 12.127 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.608 -1.331 11.947 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.036 -0.172 13.170 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.101 -1.516 13.647 1.00 0.00 H new ATOM 653 N THR A 42 3.492 0.483 14.820 1.00 0.00 N ATOM 654 CA THR A 42 2.899 1.793 14.966 1.00 0.00 C ATOM 655 C THR A 42 2.981 2.544 13.632 1.00 0.00 C ATOM 656 O THR A 42 3.589 2.049 12.693 1.00 0.00 O ATOM 657 CB THR A 42 3.622 2.586 16.057 1.00 0.00 C ATOM 658 OG1 THR A 42 5.012 2.624 15.752 1.00 0.00 O ATOM 659 CG2 THR A 42 3.418 1.947 17.421 1.00 0.00 C ATOM 0 H THR A 42 4.497 0.503 14.649 1.00 0.00 H new ATOM 0 HA THR A 42 1.854 1.679 15.254 1.00 0.00 H new ATOM 0 HB THR A 42 3.213 3.596 16.090 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.206 3.417 15.210 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.942 2.530 18.178 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.354 1.921 17.655 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.812 0.931 17.409 1.00 0.00 H new ATOM 667 N VAL A 43 2.409 3.737 13.568 1.00 0.00 N ATOM 668 CA VAL A 43 2.324 4.499 12.310 1.00 0.00 C ATOM 669 C VAL A 43 3.699 4.902 11.755 1.00 0.00 C ATOM 670 O VAL A 43 3.984 4.686 10.572 1.00 0.00 O ATOM 671 CB VAL A 43 1.466 5.793 12.473 1.00 0.00 C ATOM 672 CG1 VAL A 43 1.316 6.527 11.152 1.00 0.00 C ATOM 673 CG2 VAL A 43 0.109 5.489 13.060 1.00 0.00 C ATOM 0 H VAL A 43 1.992 4.208 14.371 1.00 0.00 H new ATOM 0 HA VAL A 43 1.847 3.820 11.603 1.00 0.00 H new ATOM 0 HB VAL A 43 1.998 6.442 13.168 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.713 7.423 11.300 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.300 6.809 10.779 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.826 5.876 10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.460 6.413 13.159 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.426 4.802 12.404 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.231 5.032 14.042 1.00 0.00 H new ATOM 683 N ASP A 44 4.545 5.448 12.601 1.00 0.00 N ATOM 684 CA ASP A 44 5.832 5.998 12.149 1.00 0.00 C ATOM 685 C ASP A 44 6.840 4.902 11.911 1.00 0.00 C ATOM 686 O ASP A 44 7.685 4.992 11.019 1.00 0.00 O ATOM 687 CB ASP A 44 6.375 6.990 13.173 1.00 0.00 C ATOM 688 CG ASP A 44 7.634 7.714 12.720 1.00 0.00 C ATOM 689 OD1 ASP A 44 8.755 7.217 12.957 1.00 0.00 O ATOM 690 OD2 ASP A 44 7.515 8.818 12.152 1.00 0.00 O ATOM 0 H ASP A 44 4.378 5.529 13.604 1.00 0.00 H new ATOM 0 HA ASP A 44 5.660 6.516 11.205 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.603 7.727 13.395 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.586 6.460 14.102 1.00 0.00 H new ATOM 695 N SER A 45 6.736 3.854 12.690 1.00 0.00 N ATOM 696 CA SER A 45 7.630 2.763 12.616 1.00 0.00 C ATOM 697 C SER A 45 7.277 1.818 11.472 1.00 0.00 C ATOM 698 O SER A 45 8.059 0.929 11.118 1.00 0.00 O ATOM 699 CB SER A 45 7.578 2.047 13.930 1.00 0.00 C ATOM 700 OG SER A 45 7.845 2.944 15.000 1.00 0.00 O ATOM 0 H SER A 45 6.011 3.749 13.399 1.00 0.00 H new ATOM 0 HA SER A 45 8.637 3.127 12.414 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.596 1.594 14.065 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.307 1.236 13.938 1.00 0.00 H new ATOM 0 HG SER A 45 7.073 2.974 15.602 1.00 0.00 H new ATOM 706 N MET A 46 6.130 2.019 10.898 1.00 0.00 N ATOM 707 CA MET A 46 5.665 1.169 9.831 1.00 0.00 C ATOM 708 C MET A 46 5.786 1.874 8.496 1.00 0.00 C ATOM 709 O MET A 46 5.081 2.854 8.232 1.00 0.00 O ATOM 710 CB MET A 46 4.217 0.784 10.066 1.00 0.00 C ATOM 711 CG MET A 46 3.664 -0.200 9.075 1.00 0.00 C ATOM 712 SD MET A 46 1.936 -0.553 9.375 1.00 0.00 S ATOM 713 CE MET A 46 1.659 -1.771 8.120 1.00 0.00 C ATOM 0 H MET A 46 5.489 2.771 11.150 1.00 0.00 H new ATOM 0 HA MET A 46 6.283 0.272 9.816 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.124 0.363 11.067 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.606 1.686 10.042 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.784 0.195 8.066 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.237 -1.126 9.125 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.674 -1.621 7.679 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.421 -1.676 7.347 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.711 -2.766 8.561 1.00 0.00 H new ATOM 723 N ARG A 47 6.657 1.381 7.666 1.00 0.00 N ATOM 724 CA ARG A 47 6.838 1.922 6.344 1.00 0.00 C ATOM 725 C ARG A 47 6.270 0.939 5.342 1.00 0.00 C ATOM 726 O ARG A 47 6.374 -0.263 5.537 1.00 0.00 O ATOM 727 CB ARG A 47 8.314 2.236 6.081 1.00 0.00 C ATOM 728 CG ARG A 47 8.603 2.765 4.691 1.00 0.00 C ATOM 729 CD ARG A 47 10.042 3.215 4.550 1.00 0.00 C ATOM 730 NE ARG A 47 11.024 2.164 4.859 1.00 0.00 N ATOM 731 CZ ARG A 47 12.291 2.183 4.420 1.00 0.00 C ATOM 732 NH1 ARG A 47 12.665 3.078 3.515 1.00 0.00 N ATOM 733 NH2 ARG A 47 13.171 1.290 4.861 1.00 0.00 N ATOM 0 H ARG A 47 7.265 0.591 7.883 1.00 0.00 H new ATOM 0 HA ARG A 47 6.304 2.867 6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.653 2.969 6.813 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.900 1.331 6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.391 1.989 3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.938 3.601 4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.206 3.564 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.214 4.065 5.210 1.00 0.00 H new ATOM 0 HE ARG A 47 10.725 1.379 5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.989 3.751 3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.628 3.093 3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.885 0.583 5.538 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.133 1.311 4.522 1.00 0.00 H new ATOM 747 N ILE A 48 5.640 1.440 4.305 1.00 0.00 N ATOM 748 CA ILE A 48 4.968 0.582 3.354 1.00 0.00 C ATOM 749 C ILE A 48 5.470 0.743 1.920 1.00 0.00 C ATOM 750 O ILE A 48 5.648 1.854 1.426 1.00 0.00 O ATOM 751 CB ILE A 48 3.420 0.775 3.425 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.877 0.228 4.758 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.705 0.148 2.232 1.00 0.00 C ATOM 754 CD1 ILE A 48 1.380 0.344 4.917 1.00 0.00 C ATOM 0 H ILE A 48 5.578 2.437 4.097 1.00 0.00 H new ATOM 0 HA ILE A 48 5.214 -0.439 3.647 1.00 0.00 H new ATOM 0 HB ILE A 48 3.216 1.845 3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.159 -0.821 4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.359 0.760 5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.631 0.308 2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.061 0.609 1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.911 -0.922 2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.084 -0.065 5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.088 1.393 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.885 -0.212 4.121 1.00 0.00 H new ATOM 766 N GLN A 49 5.694 -0.386 1.286 1.00 0.00 N ATOM 767 CA GLN A 49 6.055 -0.482 -0.097 1.00 0.00 C ATOM 768 C GLN A 49 4.905 -1.127 -0.850 1.00 0.00 C ATOM 769 O GLN A 49 4.164 -1.923 -0.286 1.00 0.00 O ATOM 770 CB GLN A 49 7.323 -1.335 -0.325 1.00 0.00 C ATOM 771 CG GLN A 49 8.645 -0.743 0.155 1.00 0.00 C ATOM 772 CD GLN A 49 8.759 -0.592 1.656 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.173 -1.350 2.425 1.00 0.00 O ATOM 774 NE2 GLN A 49 9.529 0.366 2.078 1.00 0.00 N ATOM 0 H GLN A 49 5.625 -1.294 1.745 1.00 0.00 H new ATOM 0 HA GLN A 49 6.264 0.526 -0.454 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.181 -2.295 0.171 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.409 -1.537 -1.393 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.460 -1.376 -0.196 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.779 0.235 -0.307 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.999 0.975 1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.664 0.509 3.079 1.00 0.00 H new ATOM 783 N LEU A 50 4.744 -0.784 -2.082 1.00 0.00 N ATOM 784 CA LEU A 50 3.705 -1.373 -2.904 1.00 0.00 C ATOM 785 C LEU A 50 4.321 -2.143 -4.044 1.00 0.00 C ATOM 786 O LEU A 50 5.211 -1.642 -4.723 1.00 0.00 O ATOM 787 CB LEU A 50 2.795 -0.304 -3.488 1.00 0.00 C ATOM 788 CG LEU A 50 1.657 -0.816 -4.390 1.00 0.00 C ATOM 789 CD1 LEU A 50 0.622 -1.582 -3.616 1.00 0.00 C ATOM 790 CD2 LEU A 50 1.046 0.300 -5.211 1.00 0.00 C ATOM 0 H LEU A 50 5.319 -0.091 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 50 3.120 -2.037 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.356 0.262 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.405 0.392 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 50 2.102 -1.520 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.160 -1.923 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.089 -2.443 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.186 -0.936 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.247 -0.102 -5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.639 1.061 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.812 0.746 -5.846 1.00 0.00 H new ATOM 802 N PHE A 51 3.869 -3.340 -4.248 1.00 0.00 N ATOM 803 CA PHE A 51 4.321 -4.143 -5.354 1.00 0.00 C ATOM 804 C PHE A 51 3.131 -4.505 -6.209 1.00 0.00 C ATOM 805 O PHE A 51 1.997 -4.525 -5.720 1.00 0.00 O ATOM 806 CB PHE A 51 5.011 -5.435 -4.882 1.00 0.00 C ATOM 807 CG PHE A 51 6.289 -5.258 -4.101 1.00 0.00 C ATOM 808 CD1 PHE A 51 6.269 -4.965 -2.749 1.00 0.00 C ATOM 809 CD2 PHE A 51 7.511 -5.411 -4.726 1.00 0.00 C ATOM 810 CE1 PHE A 51 7.447 -4.824 -2.042 1.00 0.00 C ATOM 811 CE2 PHE A 51 8.689 -5.271 -4.027 1.00 0.00 C ATOM 812 CZ PHE A 51 8.659 -4.977 -2.684 1.00 0.00 C ATOM 0 H PHE A 51 3.175 -3.794 -3.655 1.00 0.00 H new ATOM 0 HA PHE A 51 5.049 -3.562 -5.920 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.307 -5.994 -4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.226 -6.048 -5.757 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.323 -4.845 -2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.543 -5.644 -5.780 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.420 -4.594 -0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.635 -5.392 -4.533 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.581 -4.866 -2.133 1.00 0.00 H new ATOM 822 N ASP A 52 3.382 -4.787 -7.468 1.00 0.00 N ATOM 823 CA ASP A 52 2.351 -5.210 -8.395 1.00 0.00 C ATOM 824 C ASP A 52 1.815 -6.572 -8.044 1.00 0.00 C ATOM 825 O ASP A 52 2.206 -7.192 -7.047 1.00 0.00 O ATOM 826 CB ASP A 52 2.908 -5.322 -9.817 1.00 0.00 C ATOM 827 CG ASP A 52 3.105 -4.033 -10.550 1.00 0.00 C ATOM 828 OD1 ASP A 52 2.115 -3.525 -11.134 1.00 0.00 O ATOM 829 OD2 ASP A 52 4.249 -3.543 -10.625 1.00 0.00 O ATOM 0 H ASP A 52 4.312 -4.730 -7.882 1.00 0.00 H new ATOM 0 HA ASP A 52 1.564 -4.459 -8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.866 -5.840 -9.770 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.234 -5.949 -10.401 1.00 0.00 H new ATOM 834 N GLY A 53 0.949 -7.049 -8.889 1.00 0.00 N ATOM 835 CA GLY A 53 0.475 -8.397 -8.800 1.00 0.00 C ATOM 836 C GLY A 53 1.270 -9.189 -9.784 1.00 0.00 C ATOM 837 O GLY A 53 0.727 -9.874 -10.650 1.00 0.00 O ATOM 0 H GLY A 53 0.551 -6.513 -9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.605 -8.788 -7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.590 -8.450 -9.028 1.00 0.00 H new ATOM 841 N ASP A 54 2.567 -9.070 -9.645 1.00 0.00 N ATOM 842 CA ASP A 54 3.528 -9.583 -10.591 1.00 0.00 C ATOM 843 C ASP A 54 4.777 -10.017 -9.854 1.00 0.00 C ATOM 844 O ASP A 54 5.090 -11.203 -9.798 1.00 0.00 O ATOM 845 CB ASP A 54 3.876 -8.457 -11.594 1.00 0.00 C ATOM 846 CG ASP A 54 4.909 -8.835 -12.633 1.00 0.00 C ATOM 847 OD1 ASP A 54 4.534 -9.455 -13.656 1.00 0.00 O ATOM 848 OD2 ASP A 54 6.098 -8.471 -12.464 1.00 0.00 O ATOM 0 H ASP A 54 2.996 -8.600 -8.848 1.00 0.00 H new ATOM 0 HA ASP A 54 3.115 -10.440 -11.123 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.963 -8.148 -12.104 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.239 -7.593 -11.038 1.00 0.00 H new ATOM 853 N ASP A 55 5.458 -9.029 -9.251 1.00 0.00 N ATOM 854 CA ASP A 55 6.714 -9.218 -8.517 1.00 0.00 C ATOM 855 C ASP A 55 7.293 -7.859 -8.186 1.00 0.00 C ATOM 856 O ASP A 55 7.666 -7.575 -7.046 1.00 0.00 O ATOM 857 CB ASP A 55 7.740 -9.977 -9.384 1.00 0.00 C ATOM 858 CG ASP A 55 9.095 -10.151 -8.717 1.00 0.00 C ATOM 859 OD1 ASP A 55 9.973 -9.278 -8.887 1.00 0.00 O ATOM 860 OD2 ASP A 55 9.311 -11.171 -8.035 1.00 0.00 O ATOM 0 H ASP A 55 5.143 -8.059 -9.262 1.00 0.00 H new ATOM 0 HA ASP A 55 6.509 -9.791 -7.613 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.338 -10.960 -9.631 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.874 -9.442 -10.324 1.00 0.00 H new ATOM 865 N GLN A 56 7.304 -7.029 -9.211 1.00 0.00 N ATOM 866 CA GLN A 56 7.934 -5.709 -9.228 1.00 0.00 C ATOM 867 C GLN A 56 7.327 -4.688 -8.274 1.00 0.00 C ATOM 868 O GLN A 56 6.123 -4.698 -7.975 1.00 0.00 O ATOM 869 CB GLN A 56 7.900 -5.181 -10.630 1.00 0.00 C ATOM 870 CG GLN A 56 8.626 -6.071 -11.617 1.00 0.00 C ATOM 871 CD GLN A 56 8.366 -5.675 -13.037 1.00 0.00 C ATOM 872 OE1 GLN A 56 9.066 -4.840 -13.601 1.00 0.00 O ATOM 873 NE2 GLN A 56 7.384 -6.289 -13.639 1.00 0.00 N ATOM 0 H GLN A 56 6.856 -7.260 -10.098 1.00 0.00 H new ATOM 0 HA GLN A 56 8.954 -5.853 -8.871 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.862 -5.070 -10.945 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.347 -4.187 -10.649 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.697 -6.029 -11.421 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.315 -7.105 -11.468 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.826 -6.977 -13.133 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.174 -6.081 -14.615 1.00 0.00 H new ATOM 882 N LEU A 57 8.197 -3.811 -7.823 1.00 0.00 N ATOM 883 CA LEU A 57 7.898 -2.729 -6.897 1.00 0.00 C ATOM 884 C LEU A 57 7.341 -1.506 -7.629 1.00 0.00 C ATOM 885 O LEU A 57 7.897 -1.074 -8.652 1.00 0.00 O ATOM 886 CB LEU A 57 9.197 -2.334 -6.151 1.00 0.00 C ATOM 887 CG LEU A 57 9.105 -1.194 -5.115 1.00 0.00 C ATOM 888 CD1 LEU A 57 8.209 -1.571 -3.960 1.00 0.00 C ATOM 889 CD2 LEU A 57 10.486 -0.809 -4.609 1.00 0.00 C ATOM 0 H LEU A 57 9.178 -3.830 -8.102 1.00 0.00 H new ATOM 0 HA LEU A 57 7.141 -3.075 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.576 -3.221 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.940 -2.052 -6.896 1.00 0.00 H new ATOM 0 HG LEU A 57 8.666 -0.331 -5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.166 -0.746 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.206 -1.783 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.607 -2.457 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.395 -0.004 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.955 -1.673 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.100 -0.474 -5.445 1.00 0.00 H new ATOM 901 N LYS A 58 6.270 -0.950 -7.107 1.00 0.00 N ATOM 902 CA LYS A 58 5.731 0.298 -7.616 1.00 0.00 C ATOM 903 C LYS A 58 6.460 1.454 -6.973 1.00 0.00 C ATOM 904 O LYS A 58 6.867 2.403 -7.646 1.00 0.00 O ATOM 905 CB LYS A 58 4.226 0.420 -7.340 1.00 0.00 C ATOM 906 CG LYS A 58 3.327 -0.393 -8.251 1.00 0.00 C ATOM 907 CD LYS A 58 3.441 0.118 -9.674 1.00 0.00 C ATOM 908 CE LYS A 58 2.473 -0.566 -10.606 1.00 0.00 C ATOM 909 NZ LYS A 58 2.659 -0.125 -12.001 1.00 0.00 N ATOM 0 H LYS A 58 5.749 -1.344 -6.324 1.00 0.00 H new ATOM 0 HA LYS A 58 5.874 0.315 -8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.038 0.119 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.943 1.470 -7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.608 -1.445 -8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.293 -0.325 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.258 1.192 -9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.459 -0.037 -10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.609 -1.646 -10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.452 -0.354 -10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.977 -0.616 -12.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.505 0.902 -12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.626 -0.350 -12.310 1.00 0.00 H new ATOM 923 N GLY A 59 6.667 1.349 -5.690 1.00 0.00 N ATOM 924 CA GLY A 59 7.351 2.374 -4.972 1.00 0.00 C ATOM 925 C GLY A 59 7.049 2.305 -3.505 1.00 0.00 C ATOM 926 O GLY A 59 6.516 1.289 -3.020 1.00 0.00 O ATOM 0 H GLY A 59 6.368 0.556 -5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.425 2.277 -5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.059 3.350 -5.360 1.00 0.00 H new ATOM 930 N GLU A 60 7.371 3.355 -2.803 1.00 0.00 N ATOM 931 CA GLU A 60 7.161 3.433 -1.402 1.00 0.00 C ATOM 932 C GLU A 60 5.941 4.310 -1.145 1.00 0.00 C ATOM 933 O GLU A 60 5.891 5.469 -1.583 1.00 0.00 O ATOM 934 CB GLU A 60 8.423 4.012 -0.743 1.00 0.00 C ATOM 935 CG GLU A 60 8.414 4.054 0.771 1.00 0.00 C ATOM 936 CD GLU A 60 9.718 4.582 1.322 1.00 0.00 C ATOM 937 OE1 GLU A 60 10.695 3.811 1.401 1.00 0.00 O ATOM 938 OE2 GLU A 60 9.794 5.765 1.674 1.00 0.00 O ATOM 0 H GLU A 60 7.794 4.191 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 60 6.976 2.448 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.282 3.424 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.572 5.026 -1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.593 4.684 1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.232 3.053 1.162 1.00 0.00 H new ATOM 945 N LEU A 61 4.966 3.757 -0.468 1.00 0.00 N ATOM 946 CA LEU A 61 3.736 4.455 -0.167 1.00 0.00 C ATOM 947 C LEU A 61 3.846 5.144 1.175 1.00 0.00 C ATOM 948 O LEU A 61 4.749 5.922 1.378 1.00 0.00 O ATOM 949 CB LEU A 61 2.528 3.490 -0.195 1.00 0.00 C ATOM 950 CG LEU A 61 2.192 2.838 -1.532 1.00 0.00 C ATOM 951 CD1 LEU A 61 0.992 1.921 -1.370 1.00 0.00 C ATOM 952 CD2 LEU A 61 1.904 3.897 -2.585 1.00 0.00 C ATOM 0 H LEU A 61 5.001 2.804 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 61 3.571 5.211 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.710 2.698 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.649 4.038 0.145 1.00 0.00 H new ATOM 0 HG LEU A 61 3.049 2.251 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.756 1.458 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.222 1.146 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.135 2.500 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.666 3.413 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.058 4.506 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.781 4.532 -2.712 1.00 0.00 H new ATOM 964 N THR A 62 2.888 4.846 2.047 1.00 0.00 N ATOM 965 CA THR A 62 2.744 5.344 3.436 1.00 0.00 C ATOM 966 C THR A 62 2.081 6.739 3.468 1.00 0.00 C ATOM 967 O THR A 62 1.946 7.360 4.521 1.00 0.00 O ATOM 968 CB THR A 62 4.063 5.241 4.346 1.00 0.00 C ATOM 969 OG1 THR A 62 3.686 5.238 5.726 1.00 0.00 O ATOM 970 CG2 THR A 62 5.030 6.414 4.151 1.00 0.00 C ATOM 0 H THR A 62 2.133 4.207 1.797 1.00 0.00 H new ATOM 0 HA THR A 62 2.064 4.645 3.922 1.00 0.00 H new ATOM 0 HB THR A 62 4.567 4.322 4.045 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.967 5.889 5.870 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.899 6.280 4.796 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.353 6.451 3.110 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.527 7.346 4.408 1.00 0.00 H new ATOM 978 N ASP A 63 1.631 7.183 2.289 1.00 0.00 N ATOM 979 CA ASP A 63 0.937 8.470 2.107 1.00 0.00 C ATOM 980 C ASP A 63 -0.355 8.519 2.930 1.00 0.00 C ATOM 981 O ASP A 63 -0.464 9.243 3.910 1.00 0.00 O ATOM 982 CB ASP A 63 0.535 8.653 0.633 1.00 0.00 C ATOM 983 CG ASP A 63 1.664 8.563 -0.363 1.00 0.00 C ATOM 984 OD1 ASP A 63 2.236 7.473 -0.513 1.00 0.00 O ATOM 985 OD2 ASP A 63 1.952 9.567 -1.057 1.00 0.00 O ATOM 0 H ASP A 63 1.738 6.655 1.423 1.00 0.00 H new ATOM 0 HA ASP A 63 1.623 9.253 2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.210 7.898 0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.054 9.625 0.524 1.00 0.00 H new ATOM 990 N GLY A 64 -1.350 7.751 2.472 1.00 0.00 N ATOM 991 CA GLY A 64 -2.654 7.652 3.131 1.00 0.00 C ATOM 992 C GLY A 64 -3.569 8.830 2.910 1.00 0.00 C ATOM 993 O GLY A 64 -4.762 8.721 3.125 1.00 0.00 O ATOM 0 H GLY A 64 -1.272 7.179 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.155 6.750 2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.495 7.530 4.202 1.00 0.00 H new ATOM 997 N ALA A 65 -3.027 9.954 2.489 1.00 0.00 N ATOM 998 CA ALA A 65 -3.849 11.120 2.171 1.00 0.00 C ATOM 999 C ALA A 65 -4.384 10.997 0.749 1.00 0.00 C ATOM 1000 O ALA A 65 -5.066 11.881 0.228 1.00 0.00 O ATOM 1001 CB ALA A 65 -3.053 12.389 2.339 1.00 0.00 C ATOM 0 H ALA A 65 -2.025 10.092 2.357 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.693 11.162 2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.681 13.247 2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.709 12.469 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.192 12.370 1.670 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.040 9.896 0.137 1.00 0.00 N ATOM 1008 CA LYS A 66 -4.474 9.530 -1.176 1.00 0.00 C ATOM 1009 C LYS A 66 -5.167 8.191 -1.011 1.00 0.00 C ATOM 1010 O LYS A 66 -4.860 7.460 -0.045 1.00 0.00 O ATOM 1011 CB LYS A 66 -3.273 9.345 -2.155 1.00 0.00 C ATOM 1012 CG LYS A 66 -2.321 10.549 -2.389 1.00 0.00 C ATOM 1013 CD LYS A 66 -1.534 10.930 -1.140 1.00 0.00 C ATOM 1014 CE LYS A 66 -0.528 12.051 -1.386 1.00 0.00 C ATOM 1015 NZ LYS A 66 0.591 11.633 -2.258 1.00 0.00 N ATOM 0 H LYS A 66 -3.423 9.203 0.561 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.116 10.307 -1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.672 8.512 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.676 9.047 -3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.625 10.305 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.904 11.408 -2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.229 11.239 -0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.007 10.052 -0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.040 12.899 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.130 12.393 -0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.311 12.383 -2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.014 10.759 -1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.236 11.462 -3.220 1.00 0.00 H new ATOM 1029 N SER A 67 -6.058 7.852 -1.898 1.00 0.00 N ATOM 1030 CA SER A 67 -6.751 6.615 -1.809 1.00 0.00 C ATOM 1031 C SER A 67 -5.951 5.538 -2.460 1.00 0.00 C ATOM 1032 O SER A 67 -4.926 5.813 -3.094 1.00 0.00 O ATOM 1033 CB SER A 67 -8.108 6.739 -2.480 1.00 0.00 C ATOM 1034 OG SER A 67 -7.977 7.277 -3.794 1.00 0.00 O ATOM 0 H SER A 67 -6.319 8.429 -2.698 1.00 0.00 H new ATOM 0 HA SER A 67 -6.897 6.358 -0.760 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.585 5.760 -2.529 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.757 7.380 -1.883 1.00 0.00 H new ATOM 0 HG SER A 67 -8.862 7.347 -4.209 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.409 4.328 -2.334 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.739 3.198 -2.950 1.00 0.00 C ATOM 1042 C LEU A 68 -5.759 3.334 -4.459 1.00 0.00 C ATOM 1043 O LEU A 68 -4.811 2.954 -5.144 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.373 1.877 -2.519 1.00 0.00 C ATOM 1045 CG LEU A 68 -6.280 1.533 -1.027 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -6.908 0.180 -0.757 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -4.833 1.553 -0.548 1.00 0.00 C ATOM 0 H LEU A 68 -7.249 4.087 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.702 3.194 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.426 1.895 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.905 1.072 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.830 2.292 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.834 -0.050 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.957 0.201 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.385 -0.585 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.797 1.306 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.253 0.821 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.412 2.546 -0.703 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.814 3.935 -4.958 1.00 0.00 N ATOM 1060 CA LYS A 69 -6.975 4.136 -6.379 1.00 0.00 C ATOM 1061 C LYS A 69 -5.971 5.166 -6.868 1.00 0.00 C ATOM 1062 O LYS A 69 -5.320 4.987 -7.894 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.394 4.622 -6.699 1.00 0.00 C ATOM 1064 CG LYS A 69 -8.640 4.859 -8.189 1.00 0.00 C ATOM 1065 CD LYS A 69 -10.015 5.452 -8.459 1.00 0.00 C ATOM 1066 CE LYS A 69 -11.143 4.527 -8.037 1.00 0.00 C ATOM 1067 NZ LYS A 69 -12.459 5.140 -8.288 1.00 0.00 N ATOM 0 H LYS A 69 -7.582 4.297 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.805 3.185 -6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.111 3.887 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.582 5.549 -6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.874 5.529 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.542 3.916 -8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.109 6.399 -7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.109 5.672 -9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.068 3.586 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.045 4.291 -6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.127 4.842 -7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.368 6.176 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.812 4.835 -9.217 1.00 0.00 H new ATOM 1081 N ASP A 70 -5.827 6.225 -6.099 1.00 0.00 N ATOM 1082 CA ASP A 70 -4.967 7.338 -6.474 1.00 0.00 C ATOM 1083 C ASP A 70 -3.510 6.968 -6.309 1.00 0.00 C ATOM 1084 O ASP A 70 -2.646 7.437 -7.040 1.00 0.00 O ATOM 1085 CB ASP A 70 -5.297 8.527 -5.616 1.00 0.00 C ATOM 1086 CG ASP A 70 -4.613 9.786 -6.075 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -5.068 10.389 -7.076 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -3.650 10.223 -5.423 1.00 0.00 O ATOM 0 H ASP A 70 -6.297 6.343 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.138 7.582 -7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.376 8.683 -5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.008 8.317 -4.586 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.250 6.109 -5.351 1.00 0.00 N ATOM 1094 CA LEU A 71 -1.894 5.615 -5.092 1.00 0.00 C ATOM 1095 C LEU A 71 -1.436 4.607 -6.136 1.00 0.00 C ATOM 1096 O LEU A 71 -0.254 4.282 -6.208 1.00 0.00 O ATOM 1097 CB LEU A 71 -1.780 4.993 -3.694 1.00 0.00 C ATOM 1098 CG LEU A 71 -1.869 5.948 -2.503 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -1.806 5.173 -1.202 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.741 6.962 -2.564 1.00 0.00 C ATOM 0 H LEU A 71 -3.960 5.727 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.240 6.485 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.567 4.246 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.829 4.464 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.821 6.477 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.870 5.865 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.637 4.470 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.865 4.626 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.813 7.638 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.217 6.443 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.816 7.535 -3.488 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.357 4.118 -6.933 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.002 3.166 -7.964 1.00 0.00 C ATOM 1114 C GLY A 72 -2.010 1.746 -7.450 1.00 0.00 C ATOM 1115 O GLY A 72 -1.287 0.882 -7.956 1.00 0.00 O ATOM 0 H GLY A 72 -3.347 4.359 -6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.701 3.255 -8.795 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.012 3.405 -8.353 1.00 0.00 H new ATOM 1119 N VAL A 73 -2.808 1.510 -6.441 1.00 0.00 N ATOM 1120 CA VAL A 73 -2.970 0.196 -5.876 1.00 0.00 C ATOM 1121 C VAL A 73 -4.156 -0.438 -6.571 1.00 0.00 C ATOM 1122 O VAL A 73 -5.143 0.235 -6.840 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.261 0.266 -4.344 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -3.377 -1.127 -3.732 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -2.204 1.084 -3.618 1.00 0.00 C ATOM 0 H VAL A 73 -3.368 2.230 -5.985 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.055 -0.379 -6.015 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.221 0.767 -4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.580 -1.040 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.191 -1.669 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.443 -1.669 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.435 1.114 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.226 0.626 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.193 2.099 -4.015 1.00 0.00 H new ATOM 1135 N ARG A 74 -4.053 -1.695 -6.895 1.00 0.00 N ATOM 1136 CA ARG A 74 -5.124 -2.404 -7.563 1.00 0.00 C ATOM 1137 C ARG A 74 -5.245 -3.775 -6.963 1.00 0.00 C ATOM 1138 O ARG A 74 -4.519 -4.110 -6.026 1.00 0.00 O ATOM 1139 CB ARG A 74 -4.848 -2.527 -9.065 1.00 0.00 C ATOM 1140 CG ARG A 74 -4.778 -1.215 -9.810 1.00 0.00 C ATOM 1141 CD ARG A 74 -4.365 -1.433 -11.241 1.00 0.00 C ATOM 1142 NE ARG A 74 -4.297 -0.181 -11.985 1.00 0.00 N ATOM 1143 CZ ARG A 74 -3.307 0.160 -12.818 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -2.210 -0.600 -12.922 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -3.399 1.283 -13.519 1.00 0.00 N ATOM 0 H ARG A 74 -3.227 -2.264 -6.707 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.052 -1.847 -7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.906 -3.057 -9.204 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.629 -3.141 -9.514 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.749 -0.722 -9.779 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.067 -0.551 -9.319 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.392 -1.924 -11.267 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.074 -2.105 -11.725 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.060 0.484 -11.861 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.123 -1.449 -12.363 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.461 -0.330 -13.560 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.220 1.880 -13.421 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.648 1.550 -14.156 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.141 -4.566 -7.491 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.316 -5.916 -7.026 1.00 0.00 C ATOM 1161 C ASP A 75 -5.175 -6.769 -7.455 1.00 0.00 C ATOM 1162 O ASP A 75 -4.628 -6.608 -8.555 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.632 -6.520 -7.491 1.00 0.00 C ATOM 1164 CG ASP A 75 -7.794 -6.508 -8.993 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -8.199 -5.475 -9.539 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -7.524 -7.537 -9.646 1.00 0.00 O ATOM 0 H ASP A 75 -6.766 -4.295 -8.250 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.344 -5.878 -5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.700 -7.547 -7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.457 -5.970 -7.039 1.00 0.00 H new ATOM 1171 N GLY A 76 -4.796 -7.626 -6.584 1.00 0.00 N ATOM 1172 CA GLY A 76 -3.691 -8.524 -6.830 1.00 0.00 C ATOM 1173 C GLY A 76 -2.370 -7.944 -6.382 1.00 0.00 C ATOM 1174 O GLY A 76 -1.372 -8.661 -6.275 1.00 0.00 O ATOM 0 H GLY A 76 -5.234 -7.739 -5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.868 -9.465 -6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.642 -8.753 -7.894 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.365 -6.652 -6.118 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.177 -5.956 -5.672 1.00 0.00 C ATOM 1180 C TYR A 77 -0.912 -6.261 -4.228 1.00 0.00 C ATOM 1181 O TYR A 77 -1.845 -6.430 -3.428 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.308 -4.439 -5.872 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.235 -3.956 -7.313 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -1.997 -4.534 -8.318 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -0.387 -2.915 -7.661 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -1.920 -4.088 -9.619 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -0.307 -2.462 -8.960 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.076 -3.051 -9.934 1.00 0.00 C ATOM 1189 OH TYR A 77 -1.009 -2.596 -11.230 1.00 0.00 O ATOM 0 H TYR A 77 -3.187 -6.055 -6.207 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.339 -6.305 -6.275 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.258 -4.116 -5.447 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.520 -3.946 -5.302 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.663 -5.349 -8.076 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.222 -2.451 -6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.520 -4.551 -10.388 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.357 -1.648 -9.211 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.366 -1.859 -11.285 1.00 0.00 H new ATOM 1199 N ARG A 78 0.331 -6.333 -3.883 1.00 0.00 N ATOM 1200 CA ARG A 78 0.692 -6.629 -2.541 1.00 0.00 C ATOM 1201 C ARG A 78 1.246 -5.407 -1.859 1.00 0.00 C ATOM 1202 O ARG A 78 2.023 -4.634 -2.446 1.00 0.00 O ATOM 1203 CB ARG A 78 1.660 -7.829 -2.444 1.00 0.00 C ATOM 1204 CG ARG A 78 2.966 -7.653 -3.176 1.00 0.00 C ATOM 1205 CD ARG A 78 3.859 -8.875 -3.032 1.00 0.00 C ATOM 1206 NE ARG A 78 5.108 -8.732 -3.797 1.00 0.00 N ATOM 1207 CZ ARG A 78 6.084 -9.653 -3.864 1.00 0.00 C ATOM 1208 NH1 ARG A 78 5.952 -10.815 -3.224 1.00 0.00 N ATOM 1209 NH2 ARG A 78 7.183 -9.408 -4.589 1.00 0.00 N ATOM 0 H ARG A 78 1.116 -6.190 -4.518 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.215 -6.927 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.873 -8.021 -1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.158 -8.714 -2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.769 -7.468 -4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.485 -6.775 -2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.094 -9.032 -1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.322 -9.760 -3.374 1.00 0.00 H new ATOM 0 HE ARG A 78 5.243 -7.865 -4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.109 -11.006 -2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.694 -11.513 -3.276 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.278 -8.524 -5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.925 -10.106 -4.641 1.00 0.00 H new ATOM 1223 N ILE A 79 0.849 -5.234 -0.646 1.00 0.00 N ATOM 1224 CA ILE A 79 1.277 -4.149 0.167 1.00 0.00 C ATOM 1225 C ILE A 79 2.337 -4.710 1.072 1.00 0.00 C ATOM 1226 O ILE A 79 2.112 -5.720 1.749 1.00 0.00 O ATOM 1227 CB ILE A 79 0.125 -3.630 1.077 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -1.080 -3.153 0.268 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.622 -2.520 1.989 1.00 0.00 C ATOM 1230 CD1 ILE A 79 -0.811 -1.953 -0.603 1.00 0.00 C ATOM 0 H ILE A 79 0.197 -5.864 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 79 1.620 -3.327 -0.462 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.205 -4.471 1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.427 -3.973 -0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.891 -2.913 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.198 -2.171 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.426 -2.900 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.995 -1.693 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.720 -1.683 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.495 -1.115 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.023 -2.191 -1.318 1.00 0.00 H new ATOM 1242 N HIS A 80 3.456 -4.108 1.078 1.00 0.00 N ATOM 1243 CA HIS A 80 4.531 -4.574 1.869 1.00 0.00 C ATOM 1244 C HIS A 80 4.802 -3.635 3.015 1.00 0.00 C ATOM 1245 O HIS A 80 5.078 -2.474 2.814 1.00 0.00 O ATOM 1246 CB HIS A 80 5.779 -4.764 1.009 1.00 0.00 C ATOM 1247 CG HIS A 80 6.969 -5.196 1.786 1.00 0.00 C ATOM 1248 ND1 HIS A 80 7.171 -6.491 2.168 1.00 0.00 N ATOM 1249 CD2 HIS A 80 7.985 -4.482 2.304 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.250 -6.571 2.897 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.779 -5.365 3.001 1.00 0.00 N ATOM 0 H HIS A 80 3.660 -3.271 0.532 1.00 0.00 H new ATOM 0 HA HIS A 80 4.255 -5.540 2.291 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.570 -5.504 0.237 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.007 -3.828 0.500 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.147 -3.420 2.194 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.645 -7.473 3.341 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.630 -5.128 3.511 1.00 0.00 H new ATOM 1260 N ALA A 81 4.713 -4.142 4.191 1.00 0.00 N ATOM 1261 CA ALA A 81 5.026 -3.393 5.360 1.00 0.00 C ATOM 1262 C ALA A 81 6.425 -3.755 5.815 1.00 0.00 C ATOM 1263 O ALA A 81 6.846 -4.917 5.711 1.00 0.00 O ATOM 1264 CB ALA A 81 4.021 -3.695 6.449 1.00 0.00 C ATOM 0 H ALA A 81 4.417 -5.101 4.374 1.00 0.00 H new ATOM 0 HA ALA A 81 4.983 -2.326 5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.267 -3.118 7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.022 -3.426 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.049 -4.759 6.685 1.00 0.00 H new ATOM 1270 N VAL A 82 7.146 -2.791 6.275 1.00 0.00 N ATOM 1271 CA VAL A 82 8.453 -3.008 6.768 1.00 0.00 C ATOM 1272 C VAL A 82 8.619 -2.182 8.032 1.00 0.00 C ATOM 1273 O VAL A 82 7.987 -1.117 8.183 1.00 0.00 O ATOM 1274 CB VAL A 82 9.531 -2.648 5.704 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.583 -1.161 5.402 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.883 -3.183 6.090 1.00 0.00 C ATOM 0 H VAL A 82 6.836 -1.820 6.318 1.00 0.00 H new ATOM 0 HA VAL A 82 8.593 -4.065 6.996 1.00 0.00 H new ATOM 0 HB VAL A 82 9.230 -3.138 4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.352 -0.968 4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.616 -0.833 5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.819 -0.613 6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.612 -2.914 5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.184 -2.755 7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.833 -4.268 6.178 1.00 0.00 H new ATOM 1286 N ASP A 83 9.421 -2.661 8.927 1.00 0.00 N ATOM 1287 CA ASP A 83 9.579 -2.020 10.215 1.00 0.00 C ATOM 1288 C ASP A 83 10.811 -1.143 10.208 1.00 0.00 C ATOM 1289 O ASP A 83 11.912 -1.590 9.875 1.00 0.00 O ATOM 1290 CB ASP A 83 9.678 -3.076 11.302 1.00 0.00 C ATOM 1291 CG ASP A 83 9.679 -2.509 12.706 1.00 0.00 C ATOM 1292 OD1 ASP A 83 10.751 -2.118 13.193 1.00 0.00 O ATOM 1293 OD2 ASP A 83 8.616 -2.488 13.353 1.00 0.00 O ATOM 0 H ASP A 83 9.986 -3.500 8.799 1.00 0.00 H new ATOM 0 HA ASP A 83 8.711 -1.392 10.416 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.842 -3.768 11.200 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.590 -3.653 11.153 1.00 0.00 H new ATOM 1298 N VAL A 84 10.626 0.101 10.548 1.00 0.00 N ATOM 1299 CA VAL A 84 11.708 1.070 10.545 1.00 0.00 C ATOM 1300 C VAL A 84 12.511 1.005 11.853 1.00 0.00 C ATOM 1301 O VAL A 84 13.731 1.187 11.858 1.00 0.00 O ATOM 1302 CB VAL A 84 11.166 2.511 10.318 1.00 0.00 C ATOM 1303 CG1 VAL A 84 12.291 3.532 10.242 1.00 0.00 C ATOM 1304 CG2 VAL A 84 10.306 2.577 9.066 1.00 0.00 C ATOM 0 H VAL A 84 9.725 0.481 10.837 1.00 0.00 H new ATOM 0 HA VAL A 84 12.373 0.817 9.720 1.00 0.00 H new ATOM 0 HB VAL A 84 10.547 2.761 11.180 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.871 4.525 10.083 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.855 3.522 11.175 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.954 3.282 9.414 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.939 3.594 8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.901 2.287 8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.460 1.897 9.169 1.00 0.00 H new ATOM 1314 N THR A 85 11.833 0.695 12.944 1.00 0.00 N ATOM 1315 CA THR A 85 12.454 0.671 14.259 1.00 0.00 C ATOM 1316 C THR A 85 13.464 -0.463 14.456 1.00 0.00 C ATOM 1317 O THR A 85 14.383 -0.345 15.259 1.00 0.00 O ATOM 1318 CB THR A 85 11.402 0.675 15.370 1.00 0.00 C ATOM 1319 OG1 THR A 85 10.318 -0.210 15.025 1.00 0.00 O ATOM 1320 CG2 THR A 85 10.878 2.075 15.614 1.00 0.00 C ATOM 0 H THR A 85 10.842 0.454 12.945 1.00 0.00 H new ATOM 0 HA THR A 85 13.034 1.591 14.322 1.00 0.00 H new ATOM 0 HB THR A 85 11.871 0.323 16.289 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.655 -0.935 14.459 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.132 2.051 16.408 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.701 2.725 15.909 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.423 2.458 14.700 1.00 0.00 H new ATOM 1328 N GLY A 86 13.295 -1.545 13.734 1.00 0.00 N ATOM 1329 CA GLY A 86 14.230 -2.637 13.837 1.00 0.00 C ATOM 1330 C GLY A 86 15.404 -2.480 12.898 1.00 0.00 C ATOM 1331 O GLY A 86 16.331 -3.282 12.922 1.00 0.00 O ATOM 0 H GLY A 86 12.529 -1.691 13.077 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.594 -2.704 14.862 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.716 -3.573 13.619 1.00 0.00 H new ATOM 1335 N GLY A 87 15.367 -1.440 12.073 1.00 0.00 N ATOM 1336 CA GLY A 87 16.443 -1.187 11.130 1.00 0.00 C ATOM 1337 C GLY A 87 16.536 -2.259 10.061 1.00 0.00 C ATOM 1338 O GLY A 87 17.619 -2.546 9.537 1.00 0.00 O ATOM 0 H GLY A 87 14.605 -0.762 12.040 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.288 -0.218 10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.389 -1.131 11.668 1.00 0.00 H new ATOM 1342 N ASN A 88 15.417 -2.861 9.744 1.00 0.00 N ATOM 1343 CA ASN A 88 15.377 -3.895 8.734 1.00 0.00 C ATOM 1344 C ASN A 88 14.966 -3.329 7.405 1.00 0.00 C ATOM 1345 O ASN A 88 14.059 -2.503 7.332 1.00 0.00 O ATOM 1346 CB ASN A 88 14.516 -5.103 9.149 1.00 0.00 C ATOM 1347 CG ASN A 88 13.111 -4.764 9.588 1.00 0.00 C ATOM 1348 OD1 ASN A 88 12.178 -4.694 8.776 1.00 0.00 O ATOM 1349 ND2 ASN A 88 12.938 -4.618 10.877 1.00 0.00 N ATOM 0 H ASN A 88 14.515 -2.653 10.172 1.00 0.00 H new ATOM 0 HA ASN A 88 16.390 -4.282 8.630 1.00 0.00 H new ATOM 0 HB2 ASN A 88 14.461 -5.796 8.310 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.019 -5.626 9.963 1.00 0.00 H new ATOM 0 HD21 ASN A 88 12.005 -4.439 11.249 1.00 0.00 H new ATOM 0 HD22 ASN A 88 13.736 -4.684 11.509 1.00 0.00 H new ATOM 1356 N GLU A 89 15.686 -3.748 6.358 1.00 0.00 N ATOM 1357 CA GLU A 89 15.516 -3.268 4.967 1.00 0.00 C ATOM 1358 C GLU A 89 15.883 -1.783 4.866 1.00 0.00 C ATOM 1359 O GLU A 89 15.614 -1.111 3.856 1.00 0.00 O ATOM 1360 CB GLU A 89 14.092 -3.501 4.460 1.00 0.00 C ATOM 1361 CG GLU A 89 13.633 -4.952 4.505 1.00 0.00 C ATOM 1362 CD GLU A 89 14.489 -5.873 3.675 1.00 0.00 C ATOM 1363 OE1 GLU A 89 14.236 -6.006 2.464 1.00 0.00 O ATOM 1364 OE2 GLU A 89 15.415 -6.498 4.225 1.00 0.00 O ATOM 0 H GLU A 89 16.423 -4.447 6.449 1.00 0.00 H new ATOM 0 HA GLU A 89 16.191 -3.844 4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.406 -2.898 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.023 -3.143 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.638 -5.296 5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.602 -5.011 4.155 1.00 0.00 H new ATOM 1371 N ASP A 90 16.511 -1.296 5.899 1.00 0.00 N ATOM 1372 CA ASP A 90 16.922 0.073 5.996 1.00 0.00 C ATOM 1373 C ASP A 90 18.418 0.134 5.936 1.00 0.00 C ATOM 1374 O ASP A 90 19.069 -0.187 6.945 1.00 0.00 O ATOM 1375 CB ASP A 90 16.405 0.714 7.285 1.00 0.00 C ATOM 1376 CG ASP A 90 16.872 2.144 7.440 1.00 0.00 C ATOM 1377 OD1 ASP A 90 16.278 3.044 6.820 1.00 0.00 O ATOM 1378 OD2 ASP A 90 17.835 2.388 8.196 1.00 0.00 O ATOM 0 H ASP A 90 16.756 -1.855 6.716 1.00 0.00 H new ATOM 0 HA ASP A 90 16.499 0.635 5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.315 0.687 7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.743 0.129 8.140 1.00 0.00 H new TER 1383 ASP A 90