USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 781 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HE2:sc= -3.69! C(o=-3.7!,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 140:sc= 0 USER MOD Single : A 17 MET CE :methyl -170:sc= -1.94 (180deg=-2.31) USER MOD Single : A 19 LYS NZ :NH3+ -116:sc=0.000709 (180deg=-0.125) USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= -0.076 (180deg=-0.432) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0.119 (180deg=0.0915) USER MOD Single : A 36 MET CE :methyl 135:sc= -0.32 (180deg=-3.51!) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0203 USER MOD Single : A 52 ASN : amide:sc= -5.51 K(o=-5.5,f=-11!) USER MOD Single : A 55 MET CE :methyl 150:sc= -0.842 (180deg=-2.45!) USER MOD Single : A 60 GLN :FLIP amide:sc= -3.39 F(o=-5.3!,f=-3.4) USER MOD Single : A 65 ASN : amide:sc= -3.71! C(o=-3.7!,f=-5.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -47:sc= 0.887 USER MOD Single : A 72 MET CE :methyl -147:sc= -0.935 (180deg=-5.02!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -114:sc= -0.281 (180deg=-1.62!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 138:sc= -0.611! (180deg=-1.87!) USER MOD Single : A 96 THR OG1 : rot -49:sc= 0.505 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.955 -21.231 -26.281 1.00 0.00 N ATOM 2 CA GLY A 1 9.639 -22.506 -26.162 1.00 0.00 C ATOM 3 C GLY A 1 9.953 -22.864 -24.723 1.00 0.00 C ATOM 4 O GLY A 1 9.280 -23.704 -24.125 1.00 0.00 O ATOM 0 H1 GLY A 1 8.763 -21.032 -27.284 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.057 -21.268 -25.757 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.554 -20.478 -25.887 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.021 -23.289 -26.601 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.566 -22.473 -26.735 1.00 0.00 H new ATOM 8 N SER A 2 10.978 -22.228 -24.167 1.00 0.00 N ATOM 9 CA SER A 2 11.384 -22.488 -22.791 1.00 0.00 C ATOM 10 C SER A 2 11.265 -21.226 -21.942 1.00 0.00 C ATOM 11 O SER A 2 12.140 -20.927 -21.129 1.00 0.00 O ATOM 12 CB SER A 2 12.822 -23.010 -22.751 1.00 0.00 C ATOM 13 OG SER A 2 13.700 -22.141 -23.444 1.00 0.00 O ATOM 0 H SER A 2 11.543 -21.528 -24.648 1.00 0.00 H new ATOM 0 HA SER A 2 10.718 -23.246 -22.379 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.147 -23.110 -21.715 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.864 -24.004 -23.196 1.00 0.00 H new ATOM 0 HG SER A 2 14.612 -22.496 -23.402 1.00 0.00 H new ATOM 19 N SER A 3 10.176 -20.490 -22.136 1.00 0.00 N ATOM 20 CA SER A 3 9.943 -19.258 -21.392 1.00 0.00 C ATOM 21 C SER A 3 8.608 -19.312 -20.655 1.00 0.00 C ATOM 22 O SER A 3 7.583 -18.868 -21.171 1.00 0.00 O ATOM 23 CB SER A 3 9.969 -18.054 -22.336 1.00 0.00 C ATOM 24 OG SER A 3 9.551 -16.875 -21.670 1.00 0.00 O ATOM 0 H SER A 3 9.441 -20.725 -22.802 1.00 0.00 H new ATOM 0 HA SER A 3 10.740 -19.151 -20.656 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.977 -17.916 -22.727 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.319 -18.243 -23.190 1.00 0.00 H new ATOM 0 HG SER A 3 9.578 -16.120 -22.294 1.00 0.00 H new ATOM 30 N GLY A 4 8.629 -19.862 -19.444 1.00 0.00 N ATOM 31 CA GLY A 4 7.415 -19.965 -18.656 1.00 0.00 C ATOM 32 C GLY A 4 7.246 -18.803 -17.697 1.00 0.00 C ATOM 33 O GLY A 4 7.920 -18.734 -16.669 1.00 0.00 O ATOM 0 H GLY A 4 9.465 -20.238 -18.995 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.555 -20.009 -19.324 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.429 -20.898 -18.093 1.00 0.00 H new ATOM 37 N SER A 5 6.345 -17.886 -18.034 1.00 0.00 N ATOM 38 CA SER A 5 6.093 -16.718 -17.198 1.00 0.00 C ATOM 39 C SER A 5 6.164 -17.083 -15.719 1.00 0.00 C ATOM 40 O SER A 5 5.313 -17.811 -15.206 1.00 0.00 O ATOM 41 CB SER A 5 4.723 -16.119 -17.522 1.00 0.00 C ATOM 42 OG SER A 5 4.818 -15.163 -18.564 1.00 0.00 O ATOM 0 H SER A 5 5.777 -17.929 -18.880 1.00 0.00 H new ATOM 0 HA SER A 5 6.865 -15.978 -17.409 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.035 -16.913 -17.814 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.308 -15.650 -16.630 1.00 0.00 H new ATOM 0 HG SER A 5 3.929 -14.796 -18.753 1.00 0.00 H new ATOM 48 N SER A 6 7.185 -16.573 -15.038 1.00 0.00 N ATOM 49 CA SER A 6 7.371 -16.848 -13.618 1.00 0.00 C ATOM 50 C SER A 6 7.113 -15.597 -12.784 1.00 0.00 C ATOM 51 O SER A 6 7.858 -15.292 -11.854 1.00 0.00 O ATOM 52 CB SER A 6 8.788 -17.365 -13.358 1.00 0.00 C ATOM 53 OG SER A 6 9.759 -16.418 -13.768 1.00 0.00 O ATOM 0 H SER A 6 7.896 -15.967 -15.447 1.00 0.00 H new ATOM 0 HA SER A 6 6.653 -17.614 -13.324 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.911 -17.580 -12.297 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.941 -18.302 -13.893 1.00 0.00 H new ATOM 0 HG SER A 6 10.656 -16.771 -13.590 1.00 0.00 H new ATOM 59 N GLY A 7 6.050 -14.875 -13.126 1.00 0.00 N ATOM 60 CA GLY A 7 5.711 -13.664 -12.400 1.00 0.00 C ATOM 61 C GLY A 7 6.495 -12.460 -12.882 1.00 0.00 C ATOM 62 O GLY A 7 7.726 -12.460 -12.849 1.00 0.00 O ATOM 0 H GLY A 7 5.418 -15.107 -13.892 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.645 -13.466 -12.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.901 -13.816 -11.338 1.00 0.00 H new ATOM 66 N GLN A 8 5.782 -11.433 -13.332 1.00 0.00 N ATOM 67 CA GLN A 8 6.420 -10.218 -13.825 1.00 0.00 C ATOM 68 C GLN A 8 6.436 -9.136 -12.750 1.00 0.00 C ATOM 69 O GLN A 8 5.385 -8.687 -12.293 1.00 0.00 O ATOM 70 CB GLN A 8 5.696 -9.706 -15.071 1.00 0.00 C ATOM 71 CG GLN A 8 4.181 -9.717 -14.941 1.00 0.00 C ATOM 72 CD GLN A 8 3.490 -9.058 -16.119 1.00 0.00 C ATOM 73 OE1 GLN A 8 3.411 -9.631 -17.207 1.00 0.00 O ATOM 74 NE2 GLN A 8 2.985 -7.848 -15.909 1.00 0.00 N ATOM 0 H GLN A 8 4.763 -11.418 -13.365 1.00 0.00 H new ATOM 0 HA GLN A 8 7.450 -10.459 -14.086 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.027 -8.689 -15.281 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.984 -10.318 -15.926 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.835 -10.747 -14.851 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.895 -9.204 -14.023 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.073 -7.411 -14.992 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.509 -7.356 -16.665 1.00 0.00 H new ATOM 83 N ASP A 9 7.633 -8.723 -12.351 1.00 0.00 N ATOM 84 CA ASP A 9 7.786 -7.693 -11.330 1.00 0.00 C ATOM 85 C ASP A 9 9.165 -7.046 -11.413 1.00 0.00 C ATOM 86 O ASP A 9 10.176 -7.733 -11.558 1.00 0.00 O ATOM 87 CB ASP A 9 7.570 -8.289 -9.938 1.00 0.00 C ATOM 88 CG ASP A 9 8.444 -9.501 -9.686 1.00 0.00 C ATOM 89 OD1 ASP A 9 8.158 -10.569 -10.265 1.00 0.00 O ATOM 90 OD2 ASP A 9 9.414 -9.382 -8.908 1.00 0.00 O ATOM 0 H ASP A 9 8.512 -9.086 -12.719 1.00 0.00 H new ATOM 0 HA ASP A 9 7.034 -6.925 -11.508 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.780 -7.530 -9.184 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.523 -8.570 -9.825 1.00 0.00 H new ATOM 95 N PHE A 10 9.197 -5.721 -11.320 1.00 0.00 N ATOM 96 CA PHE A 10 10.452 -4.980 -11.386 1.00 0.00 C ATOM 97 C PHE A 10 11.224 -5.100 -10.075 1.00 0.00 C ATOM 98 O PHE A 10 12.397 -5.475 -10.065 1.00 0.00 O ATOM 99 CB PHE A 10 10.184 -3.507 -11.700 1.00 0.00 C ATOM 100 CG PHE A 10 9.087 -3.299 -12.705 1.00 0.00 C ATOM 101 CD1 PHE A 10 9.157 -3.885 -13.959 1.00 0.00 C ATOM 102 CD2 PHE A 10 7.986 -2.517 -12.396 1.00 0.00 C ATOM 103 CE1 PHE A 10 8.150 -3.694 -14.885 1.00 0.00 C ATOM 104 CE2 PHE A 10 6.975 -2.323 -13.318 1.00 0.00 C ATOM 105 CZ PHE A 10 7.056 -2.913 -14.564 1.00 0.00 C ATOM 0 H PHE A 10 8.369 -5.138 -11.199 1.00 0.00 H new ATOM 0 HA PHE A 10 11.057 -5.410 -12.184 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.924 -2.988 -10.777 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.100 -3.051 -12.074 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.009 -4.498 -14.215 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.917 -2.053 -11.423 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.218 -4.155 -15.859 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.122 -1.711 -13.064 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.266 -2.764 -15.286 1.00 0.00 H new ATOM 115 N ASP A 11 10.557 -4.779 -8.972 1.00 0.00 N ATOM 116 CA ASP A 11 11.179 -4.850 -7.655 1.00 0.00 C ATOM 117 C ASP A 11 10.124 -4.817 -6.553 1.00 0.00 C ATOM 118 O ASP A 11 9.534 -3.772 -6.277 1.00 0.00 O ATOM 119 CB ASP A 11 12.165 -3.696 -7.469 1.00 0.00 C ATOM 120 CG ASP A 11 13.529 -4.000 -8.057 1.00 0.00 C ATOM 121 OD1 ASP A 11 14.358 -4.610 -7.350 1.00 0.00 O ATOM 122 OD2 ASP A 11 13.767 -3.628 -9.225 1.00 0.00 O ATOM 0 H ASP A 11 9.586 -4.467 -8.964 1.00 0.00 H new ATOM 0 HA ASP A 11 11.720 -5.794 -7.587 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.762 -2.798 -7.938 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.271 -3.480 -6.406 1.00 0.00 H new ATOM 127 N TYR A 12 9.891 -5.966 -5.929 1.00 0.00 N ATOM 128 CA TYR A 12 8.904 -6.068 -4.860 1.00 0.00 C ATOM 129 C TYR A 12 9.408 -5.395 -3.587 1.00 0.00 C ATOM 130 O TYR A 12 9.876 -6.060 -2.663 1.00 0.00 O ATOM 131 CB TYR A 12 8.577 -7.536 -4.579 1.00 0.00 C ATOM 132 CG TYR A 12 7.596 -8.136 -5.561 1.00 0.00 C ATOM 133 CD1 TYR A 12 6.441 -7.454 -5.924 1.00 0.00 C ATOM 134 CD2 TYR A 12 7.822 -9.386 -6.124 1.00 0.00 C ATOM 135 CE1 TYR A 12 5.541 -7.998 -6.819 1.00 0.00 C ATOM 136 CE2 TYR A 12 6.929 -9.937 -7.022 1.00 0.00 C ATOM 137 CZ TYR A 12 5.790 -9.240 -7.366 1.00 0.00 C ATOM 138 OH TYR A 12 4.896 -9.787 -8.258 1.00 0.00 O ATOM 0 H TYR A 12 10.372 -6.840 -6.145 1.00 0.00 H new ATOM 0 HA TYR A 12 7.998 -5.556 -5.186 1.00 0.00 H new ATOM 0 HB2 TYR A 12 9.500 -8.116 -4.600 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.169 -7.622 -3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.244 -6.481 -5.499 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.711 -9.936 -5.855 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.648 -7.455 -7.089 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.122 -10.909 -7.452 1.00 0.00 H new ATOM 0 HH TYR A 12 5.220 -10.665 -8.550 1.00 0.00 H new ATOM 148 N PHE A 13 9.308 -4.071 -3.547 1.00 0.00 N ATOM 149 CA PHE A 13 9.753 -3.305 -2.388 1.00 0.00 C ATOM 150 C PHE A 13 8.562 -2.756 -1.609 1.00 0.00 C ATOM 151 O PHE A 13 7.493 -2.516 -2.172 1.00 0.00 O ATOM 152 CB PHE A 13 10.663 -2.156 -2.828 1.00 0.00 C ATOM 153 CG PHE A 13 9.919 -1.007 -3.447 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.453 0.036 -2.664 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.688 -0.970 -4.813 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.768 1.094 -3.231 1.00 0.00 C ATOM 157 CE2 PHE A 13 9.004 0.086 -5.386 1.00 0.00 C ATOM 158 CZ PHE A 13 8.544 1.120 -4.594 1.00 0.00 C ATOM 0 H PHE A 13 8.923 -3.506 -4.304 1.00 0.00 H new ATOM 0 HA PHE A 13 10.314 -3.974 -1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.222 -1.794 -1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.393 -2.534 -3.544 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.627 0.022 -1.598 1.00 0.00 H new ATOM 0 HD2 PHE A 13 10.046 -1.775 -5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.408 1.900 -2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.830 0.102 -6.452 1.00 0.00 H new ATOM 0 HZ PHE A 13 8.011 1.947 -5.039 1.00 0.00 H new ATOM 168 N THR A 14 8.753 -2.560 -0.308 1.00 0.00 N ATOM 169 CA THR A 14 7.696 -2.042 0.551 1.00 0.00 C ATOM 170 C THR A 14 7.837 -0.537 0.749 1.00 0.00 C ATOM 171 O THR A 14 8.888 0.040 0.471 1.00 0.00 O ATOM 172 CB THR A 14 7.700 -2.732 1.928 1.00 0.00 C ATOM 173 OG1 THR A 14 8.969 -2.545 2.565 1.00 0.00 O ATOM 174 CG2 THR A 14 7.412 -4.219 1.788 1.00 0.00 C ATOM 0 H THR A 14 9.631 -2.753 0.174 1.00 0.00 H new ATOM 0 HA THR A 14 6.751 -2.254 0.051 1.00 0.00 H new ATOM 0 HB THR A 14 6.917 -2.282 2.538 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.833 -2.372 3.520 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.420 -4.685 2.773 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.434 -4.358 1.328 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.176 -4.680 1.162 1.00 0.00 H new ATOM 182 N VAL A 15 6.772 0.094 1.234 1.00 0.00 N ATOM 183 CA VAL A 15 6.779 1.533 1.472 1.00 0.00 C ATOM 184 C VAL A 15 6.426 1.852 2.920 1.00 0.00 C ATOM 185 O VAL A 15 5.626 1.153 3.543 1.00 0.00 O ATOM 186 CB VAL A 15 5.789 2.260 0.542 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.912 3.767 0.705 1.00 0.00 C ATOM 188 CG2 VAL A 15 6.020 1.852 -0.905 1.00 0.00 C ATOM 0 H VAL A 15 5.894 -0.368 1.470 1.00 0.00 H new ATOM 0 HA VAL A 15 7.789 1.884 1.261 1.00 0.00 H new ATOM 0 HB VAL A 15 4.776 1.970 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.205 4.264 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.693 4.040 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.926 4.079 0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.312 2.375 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.037 2.112 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.877 0.776 -1.007 1.00 0.00 H new ATOM 198 N ASP A 16 7.027 2.911 3.450 1.00 0.00 N ATOM 199 CA ASP A 16 6.776 3.325 4.826 1.00 0.00 C ATOM 200 C ASP A 16 6.587 4.836 4.913 1.00 0.00 C ATOM 201 O ASP A 16 7.498 5.604 4.603 1.00 0.00 O ATOM 202 CB ASP A 16 7.929 2.889 5.731 1.00 0.00 C ATOM 203 CG ASP A 16 7.692 3.249 7.184 1.00 0.00 C ATOM 204 OD1 ASP A 16 6.916 2.535 7.853 1.00 0.00 O ATOM 205 OD2 ASP A 16 8.282 4.245 7.653 1.00 0.00 O ATOM 0 H ASP A 16 7.692 3.499 2.948 1.00 0.00 H new ATOM 0 HA ASP A 16 5.858 2.843 5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.067 1.811 5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.852 3.357 5.390 1.00 0.00 H new ATOM 210 N MET A 17 5.399 5.256 5.336 1.00 0.00 N ATOM 211 CA MET A 17 5.092 6.675 5.464 1.00 0.00 C ATOM 212 C MET A 17 4.089 6.915 6.588 1.00 0.00 C ATOM 213 O MET A 17 3.606 5.971 7.212 1.00 0.00 O ATOM 214 CB MET A 17 4.538 7.220 4.145 1.00 0.00 C ATOM 215 CG MET A 17 5.001 6.442 2.924 1.00 0.00 C ATOM 216 SD MET A 17 4.412 7.160 1.379 1.00 0.00 S ATOM 217 CE MET A 17 2.644 7.174 1.665 1.00 0.00 C ATOM 0 H MET A 17 4.634 4.634 5.596 1.00 0.00 H new ATOM 0 HA MET A 17 6.016 7.201 5.707 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.449 7.205 4.184 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.839 8.262 4.037 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.090 6.407 2.912 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.650 5.413 2.999 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.127 7.422 0.738 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.323 6.190 2.007 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.404 7.918 2.425 1.00 0.00 H new ATOM 227 N GLU A 18 3.780 8.184 6.839 1.00 0.00 N ATOM 228 CA GLU A 18 2.836 8.546 7.889 1.00 0.00 C ATOM 229 C GLU A 18 1.662 9.336 7.316 1.00 0.00 C ATOM 230 O GLU A 18 1.686 9.754 6.159 1.00 0.00 O ATOM 231 CB GLU A 18 3.535 9.366 8.975 1.00 0.00 C ATOM 232 CG GLU A 18 4.097 8.523 10.107 1.00 0.00 C ATOM 233 CD GLU A 18 5.319 9.150 10.750 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.185 9.659 10.008 1.00 0.00 O ATOM 235 OE2 GLU A 18 5.409 9.131 11.996 1.00 0.00 O ATOM 0 H GLU A 18 4.170 8.977 6.330 1.00 0.00 H new ATOM 0 HA GLU A 18 2.453 7.626 8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.345 9.937 8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.828 10.086 9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.327 8.378 10.864 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.358 7.536 9.725 1.00 0.00 H new ATOM 242 N LYS A 19 0.635 9.535 8.135 1.00 0.00 N ATOM 243 CA LYS A 19 -0.548 10.275 7.713 1.00 0.00 C ATOM 244 C LYS A 19 -0.264 11.773 7.660 1.00 0.00 C ATOM 245 O LYS A 19 0.634 12.268 8.340 1.00 0.00 O ATOM 246 CB LYS A 19 -1.714 9.999 8.666 1.00 0.00 C ATOM 247 CG LYS A 19 -3.073 10.336 8.077 1.00 0.00 C ATOM 248 CD LYS A 19 -4.184 9.553 8.756 1.00 0.00 C ATOM 249 CE LYS A 19 -4.352 8.174 8.136 1.00 0.00 C ATOM 250 NZ LYS A 19 -5.122 8.228 6.862 1.00 0.00 N ATOM 0 H LYS A 19 0.598 9.194 9.096 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.817 9.939 6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.700 8.946 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.570 10.576 9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.262 11.404 8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.072 10.117 7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.962 9.451 9.818 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.120 10.105 8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.371 7.738 7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.863 7.519 8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.014 7.704 6.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.330 9.219 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.561 7.799 6.099 1.00 0.00 H new ATOM 264 N GLY A 20 -1.036 12.489 6.849 1.00 0.00 N ATOM 265 CA GLY A 20 -0.852 13.923 6.724 1.00 0.00 C ATOM 266 C GLY A 20 -2.153 14.689 6.863 1.00 0.00 C ATOM 267 O GLY A 20 -2.844 14.574 7.875 1.00 0.00 O ATOM 0 H GLY A 20 -1.786 12.102 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.150 14.264 7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.405 14.146 5.755 1.00 0.00 H new ATOM 271 N ALA A 21 -2.487 15.474 5.844 1.00 0.00 N ATOM 272 CA ALA A 21 -3.713 16.261 5.856 1.00 0.00 C ATOM 273 C ALA A 21 -4.853 15.514 5.172 1.00 0.00 C ATOM 274 O ALA A 21 -5.938 15.366 5.734 1.00 0.00 O ATOM 275 CB ALA A 21 -3.483 17.607 5.183 1.00 0.00 C ATOM 0 H ALA A 21 -1.925 15.582 5.000 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.996 16.430 6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.407 18.185 5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.705 18.153 5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.172 17.449 4.150 1.00 0.00 H new ATOM 281 N LYS A 22 -4.600 15.043 3.956 1.00 0.00 N ATOM 282 CA LYS A 22 -5.604 14.310 3.194 1.00 0.00 C ATOM 283 C LYS A 22 -5.282 12.819 3.165 1.00 0.00 C ATOM 284 O LYS A 22 -5.628 12.118 2.214 1.00 0.00 O ATOM 285 CB LYS A 22 -5.688 14.853 1.766 1.00 0.00 C ATOM 286 CG LYS A 22 -5.808 16.365 1.697 1.00 0.00 C ATOM 287 CD LYS A 22 -6.978 16.870 2.525 1.00 0.00 C ATOM 288 CE LYS A 22 -8.310 16.477 1.906 1.00 0.00 C ATOM 289 NZ LYS A 22 -8.473 17.038 0.536 1.00 0.00 N ATOM 0 H LYS A 22 -3.707 15.156 3.476 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.568 14.447 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.800 14.542 1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.547 14.405 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.885 16.821 2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.935 16.674 0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.912 16.466 3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.922 17.955 2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.384 15.390 1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.123 16.828 2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.478 17.016 0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.132 18.020 0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.923 16.470 -0.140 1.00 0.00 H new ATOM 303 N GLY A 23 -4.620 12.340 4.213 1.00 0.00 N ATOM 304 CA GLY A 23 -4.264 10.935 4.287 1.00 0.00 C ATOM 305 C GLY A 23 -2.960 10.628 3.578 1.00 0.00 C ATOM 306 O GLY A 23 -2.920 10.527 2.352 1.00 0.00 O ATOM 0 H GLY A 23 -4.324 12.900 5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.184 10.639 5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.062 10.338 3.847 1.00 0.00 H new ATOM 310 N PHE A 24 -1.889 10.482 4.351 1.00 0.00 N ATOM 311 CA PHE A 24 -0.575 10.188 3.789 1.00 0.00 C ATOM 312 C PHE A 24 -0.353 10.962 2.492 1.00 0.00 C ATOM 313 O PHE A 24 0.421 10.544 1.632 1.00 0.00 O ATOM 314 CB PHE A 24 -0.432 8.687 3.531 1.00 0.00 C ATOM 315 CG PHE A 24 -0.627 7.846 4.760 1.00 0.00 C ATOM 316 CD1 PHE A 24 -1.895 7.437 5.141 1.00 0.00 C ATOM 317 CD2 PHE A 24 0.456 7.465 5.535 1.00 0.00 C ATOM 318 CE1 PHE A 24 -2.078 6.664 6.272 1.00 0.00 C ATOM 319 CE2 PHE A 24 0.280 6.692 6.667 1.00 0.00 C ATOM 320 CZ PHE A 24 -0.989 6.290 7.035 1.00 0.00 C ATOM 0 H PHE A 24 -1.905 10.562 5.368 1.00 0.00 H new ATOM 0 HA PHE A 24 0.180 10.499 4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.158 8.386 2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.558 8.490 3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.750 7.726 4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.451 7.776 5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.072 6.353 6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.133 6.403 7.263 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.130 5.684 7.918 1.00 0.00 H new ATOM 330 N GLY A 25 -1.039 12.093 2.360 1.00 0.00 N ATOM 331 CA GLY A 25 -0.904 12.907 1.166 1.00 0.00 C ATOM 332 C GLY A 25 -0.709 12.074 -0.085 1.00 0.00 C ATOM 333 O GLY A 25 0.163 12.364 -0.904 1.00 0.00 O ATOM 0 H GLY A 25 -1.686 12.460 3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.793 13.527 1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.057 13.583 1.285 1.00 0.00 H new ATOM 337 N PHE A 26 -1.523 11.034 -0.234 1.00 0.00 N ATOM 338 CA PHE A 26 -1.435 10.154 -1.393 1.00 0.00 C ATOM 339 C PHE A 26 -2.783 9.500 -1.684 1.00 0.00 C ATOM 340 O PHE A 26 -3.531 9.162 -0.767 1.00 0.00 O ATOM 341 CB PHE A 26 -0.372 9.077 -1.162 1.00 0.00 C ATOM 342 CG PHE A 26 -0.922 7.809 -0.574 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.811 7.025 -1.293 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.550 7.400 0.696 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.318 5.858 -0.754 1.00 0.00 C ATOM 346 CE2 PHE A 26 -1.054 6.234 1.240 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.939 5.461 0.514 1.00 0.00 C ATOM 0 H PHE A 26 -2.251 10.780 0.434 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.151 10.757 -2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.114 8.848 -2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.397 9.473 -0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.110 7.330 -2.285 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.142 8.000 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.010 5.256 -1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.756 5.927 2.232 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.334 4.549 0.936 1.00 0.00 H new ATOM 357 N SER A 27 -3.085 9.326 -2.966 1.00 0.00 N ATOM 358 CA SER A 27 -4.344 8.718 -3.379 1.00 0.00 C ATOM 359 C SER A 27 -4.094 7.480 -4.235 1.00 0.00 C ATOM 360 O SER A 27 -2.998 7.287 -4.761 1.00 0.00 O ATOM 361 CB SER A 27 -5.192 9.727 -4.156 1.00 0.00 C ATOM 362 OG SER A 27 -6.539 9.296 -4.251 1.00 0.00 O ATOM 0 H SER A 27 -2.475 9.598 -3.737 1.00 0.00 H new ATOM 0 HA SER A 27 -4.884 8.415 -2.482 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.152 10.698 -3.662 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.778 9.861 -5.156 1.00 0.00 H new ATOM 0 HG SER A 27 -7.060 9.959 -4.750 1.00 0.00 H new ATOM 368 N ILE A 28 -5.119 6.644 -4.369 1.00 0.00 N ATOM 369 CA ILE A 28 -5.012 5.426 -5.161 1.00 0.00 C ATOM 370 C ILE A 28 -6.065 5.392 -6.263 1.00 0.00 C ATOM 371 O ILE A 28 -6.982 6.213 -6.284 1.00 0.00 O ATOM 372 CB ILE A 28 -5.162 4.169 -4.284 1.00 0.00 C ATOM 373 CG1 ILE A 28 -5.979 4.490 -3.031 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.794 3.621 -3.905 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.600 3.270 -2.386 1.00 0.00 C ATOM 0 H ILE A 28 -6.033 6.789 -3.939 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.019 5.429 -5.611 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.692 3.406 -4.855 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.336 4.987 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.769 5.195 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.917 2.733 -3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.244 3.360 -4.809 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.240 4.378 -3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.164 3.572 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.269 2.784 -3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.814 2.574 -2.093 1.00 0.00 H new ATOM 387 N ARG A 29 -5.929 4.435 -7.175 1.00 0.00 N ATOM 388 CA ARG A 29 -6.869 4.293 -8.280 1.00 0.00 C ATOM 389 C ARG A 29 -7.027 2.828 -8.675 1.00 0.00 C ATOM 390 O ARG A 29 -6.178 1.995 -8.362 1.00 0.00 O ATOM 391 CB ARG A 29 -6.399 5.109 -9.486 1.00 0.00 C ATOM 392 CG ARG A 29 -5.272 4.451 -10.265 1.00 0.00 C ATOM 393 CD ARG A 29 -5.307 4.842 -11.734 1.00 0.00 C ATOM 394 NE ARG A 29 -4.824 6.203 -11.949 1.00 0.00 N ATOM 395 CZ ARG A 29 -5.165 6.947 -12.996 1.00 0.00 C ATOM 396 NH1 ARG A 29 -5.988 6.464 -13.916 1.00 0.00 N ATOM 397 NH2 ARG A 29 -4.684 8.177 -13.122 1.00 0.00 N ATOM 0 H ARG A 29 -5.177 3.746 -7.170 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.837 4.669 -7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.244 5.273 -10.155 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.068 6.090 -9.144 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.313 4.739 -9.834 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.350 3.368 -10.174 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.697 4.146 -12.309 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.327 4.756 -12.108 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.190 6.605 -11.258 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.361 5.519 -13.821 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.248 7.037 -14.719 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.052 8.552 -12.415 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.946 8.747 -13.926 1.00 0.00 H new ATOM 411 N GLY A 30 -8.123 2.520 -9.363 1.00 0.00 N ATOM 412 CA GLY A 30 -8.373 1.156 -9.789 1.00 0.00 C ATOM 413 C GLY A 30 -9.003 0.315 -8.696 1.00 0.00 C ATOM 414 O GLY A 30 -9.551 0.846 -7.732 1.00 0.00 O ATOM 0 H GLY A 30 -8.842 3.191 -9.633 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.028 1.165 -10.660 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.434 0.698 -10.101 1.00 0.00 H new ATOM 418 N GLY A 31 -8.928 -1.004 -8.849 1.00 0.00 N ATOM 419 CA GLY A 31 -9.502 -1.899 -7.861 1.00 0.00 C ATOM 420 C GLY A 31 -10.491 -2.875 -8.467 1.00 0.00 C ATOM 421 O GLY A 31 -10.744 -2.844 -9.672 1.00 0.00 O ATOM 0 H GLY A 31 -8.480 -1.468 -9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.703 -2.454 -7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.002 -1.312 -7.090 1.00 0.00 H new ATOM 425 N ARG A 32 -11.051 -3.743 -7.632 1.00 0.00 N ATOM 426 CA ARG A 32 -12.016 -4.734 -8.093 1.00 0.00 C ATOM 427 C ARG A 32 -13.218 -4.059 -8.746 1.00 0.00 C ATOM 428 O ARG A 32 -13.944 -4.679 -9.522 1.00 0.00 O ATOM 429 CB ARG A 32 -12.479 -5.608 -6.926 1.00 0.00 C ATOM 430 CG ARG A 32 -11.567 -6.794 -6.654 1.00 0.00 C ATOM 431 CD ARG A 32 -11.681 -7.846 -7.746 1.00 0.00 C ATOM 432 NE ARG A 32 -12.930 -8.597 -7.654 1.00 0.00 N ATOM 433 CZ ARG A 32 -13.420 -9.333 -8.645 1.00 0.00 C ATOM 434 NH1 ARG A 32 -12.768 -9.417 -9.797 1.00 0.00 N ATOM 435 NH2 ARG A 32 -14.563 -9.987 -8.485 1.00 0.00 N ATOM 0 H ARG A 32 -10.853 -3.780 -6.632 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.526 -5.363 -8.836 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.542 -4.995 -6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.485 -5.974 -7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.535 -6.452 -6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.822 -7.238 -5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.619 -7.364 -8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.838 -8.534 -7.676 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.455 -8.554 -6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.889 -8.916 -9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.146 -9.983 -10.557 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.067 -9.925 -7.600 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.938 -10.552 -9.247 1.00 0.00 H new ATOM 449 N GLU A 33 -13.422 -2.785 -8.424 1.00 0.00 N ATOM 450 CA GLU A 33 -14.538 -2.027 -8.978 1.00 0.00 C ATOM 451 C GLU A 33 -14.351 -1.800 -10.475 1.00 0.00 C ATOM 452 O GLU A 33 -15.318 -1.788 -11.238 1.00 0.00 O ATOM 453 CB GLU A 33 -14.676 -0.683 -8.261 1.00 0.00 C ATOM 454 CG GLU A 33 -14.833 -0.810 -6.755 1.00 0.00 C ATOM 455 CD GLU A 33 -16.242 -1.191 -6.345 1.00 0.00 C ATOM 456 OE1 GLU A 33 -16.758 -2.203 -6.862 1.00 0.00 O ATOM 457 OE2 GLU A 33 -16.829 -0.475 -5.506 1.00 0.00 O ATOM 0 H GLU A 33 -12.830 -2.257 -7.783 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.449 -2.607 -8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.798 -0.074 -8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.539 -0.152 -8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.135 -1.560 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.565 0.136 -6.285 1.00 0.00 H new ATOM 464 N TYR A 34 -13.101 -1.620 -10.889 1.00 0.00 N ATOM 465 CA TYR A 34 -12.787 -1.390 -12.294 1.00 0.00 C ATOM 466 C TYR A 34 -12.031 -2.576 -12.884 1.00 0.00 C ATOM 467 O TYR A 34 -11.496 -2.499 -13.990 1.00 0.00 O ATOM 468 CB TYR A 34 -11.959 -0.114 -12.451 1.00 0.00 C ATOM 469 CG TYR A 34 -12.343 0.980 -11.480 1.00 0.00 C ATOM 470 CD1 TYR A 34 -11.737 1.073 -10.233 1.00 0.00 C ATOM 471 CD2 TYR A 34 -13.310 1.921 -11.810 1.00 0.00 C ATOM 472 CE1 TYR A 34 -12.085 2.070 -9.342 1.00 0.00 C ATOM 473 CE2 TYR A 34 -13.663 2.923 -10.927 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.048 2.993 -9.694 1.00 0.00 C ATOM 475 OH TYR A 34 -13.397 3.989 -8.811 1.00 0.00 O ATOM 0 H TYR A 34 -12.289 -1.629 -10.271 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.726 -1.275 -12.836 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.905 -0.356 -12.315 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.071 0.259 -13.469 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.981 0.354 -9.955 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -13.794 1.868 -12.774 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.606 2.126 -8.376 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -14.416 3.647 -11.200 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.088 4.555 -9.213 1.00 0.00 H new ATOM 485 N LYS A 35 -11.991 -3.675 -12.137 1.00 0.00 N ATOM 486 CA LYS A 35 -11.302 -4.880 -12.584 1.00 0.00 C ATOM 487 C LYS A 35 -9.842 -4.583 -12.910 1.00 0.00 C ATOM 488 O LYS A 35 -9.344 -4.960 -13.971 1.00 0.00 O ATOM 489 CB LYS A 35 -12.001 -5.465 -13.814 1.00 0.00 C ATOM 490 CG LYS A 35 -13.436 -5.889 -13.553 1.00 0.00 C ATOM 491 CD LYS A 35 -14.410 -4.752 -13.815 1.00 0.00 C ATOM 492 CE LYS A 35 -15.835 -5.146 -13.460 1.00 0.00 C ATOM 493 NZ LYS A 35 -16.165 -4.820 -12.045 1.00 0.00 N ATOM 0 H LYS A 35 -12.428 -3.756 -11.219 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.334 -5.608 -11.774 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.989 -4.725 -14.614 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.435 -6.327 -14.168 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.687 -6.738 -14.189 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.535 -6.224 -12.520 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.117 -3.879 -13.232 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.362 -4.465 -14.865 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.530 -4.631 -14.123 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.968 -6.215 -13.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.186 -4.945 -11.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.638 -5.454 -11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.902 -3.834 -11.846 1.00 0.00 H new ATOM 507 N MET A 36 -9.161 -3.906 -11.991 1.00 0.00 N ATOM 508 CA MET A 36 -7.756 -3.562 -12.181 1.00 0.00 C ATOM 509 C MET A 36 -7.049 -3.404 -10.839 1.00 0.00 C ATOM 510 O MET A 36 -7.692 -3.199 -9.808 1.00 0.00 O ATOM 511 CB MET A 36 -7.631 -2.271 -12.992 1.00 0.00 C ATOM 512 CG MET A 36 -8.351 -1.088 -12.366 1.00 0.00 C ATOM 513 SD MET A 36 -8.725 0.210 -13.561 1.00 0.00 S ATOM 514 CE MET A 36 -7.618 1.506 -13.010 1.00 0.00 C ATOM 0 H MET A 36 -9.559 -3.585 -11.108 1.00 0.00 H new ATOM 0 HA MET A 36 -7.279 -4.375 -12.729 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.575 -2.024 -13.106 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.029 -2.440 -13.993 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.278 -1.433 -11.908 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.736 -0.674 -11.567 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.114 1.945 -13.871 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.189 2.276 -12.492 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.876 1.086 -12.331 1.00 0.00 H new ATOM 524 N ASP A 37 -5.725 -3.501 -10.858 1.00 0.00 N ATOM 525 CA ASP A 37 -4.931 -3.369 -9.642 1.00 0.00 C ATOM 526 C ASP A 37 -5.041 -1.958 -9.072 1.00 0.00 C ATOM 527 O ASP A 37 -5.572 -1.055 -9.720 1.00 0.00 O ATOM 528 CB ASP A 37 -3.466 -3.705 -9.925 1.00 0.00 C ATOM 529 CG ASP A 37 -3.258 -5.174 -10.235 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.696 -6.019 -9.426 1.00 0.00 O ATOM 531 OD2 ASP A 37 -2.660 -5.479 -11.287 1.00 0.00 O ATOM 0 H ASP A 37 -5.178 -3.671 -11.702 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.321 -4.071 -8.905 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.115 -3.106 -10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.860 -3.430 -9.062 1.00 0.00 H new ATOM 536 N LEU A 38 -4.536 -1.775 -7.857 1.00 0.00 N ATOM 537 CA LEU A 38 -4.579 -0.474 -7.199 1.00 0.00 C ATOM 538 C LEU A 38 -3.287 0.301 -7.440 1.00 0.00 C ATOM 539 O LEU A 38 -2.210 -0.121 -7.017 1.00 0.00 O ATOM 540 CB LEU A 38 -4.810 -0.647 -5.697 1.00 0.00 C ATOM 541 CG LEU A 38 -6.168 -1.219 -5.288 1.00 0.00 C ATOM 542 CD1 LEU A 38 -6.045 -2.020 -4.002 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.190 -0.103 -5.128 1.00 0.00 C ATOM 0 H LEU A 38 -4.092 -2.511 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.407 0.093 -7.625 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.030 -1.298 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.688 0.324 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.511 -1.889 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.021 -2.419 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.346 -2.843 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.679 -1.373 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.150 -0.528 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.853 0.592 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.300 0.428 -6.074 1.00 0.00 H new ATOM 555 N TYR A 39 -3.402 1.436 -8.120 1.00 0.00 N ATOM 556 CA TYR A 39 -2.244 2.270 -8.418 1.00 0.00 C ATOM 557 C TYR A 39 -2.330 3.604 -7.684 1.00 0.00 C ATOM 558 O TYR A 39 -3.388 3.982 -7.180 1.00 0.00 O ATOM 559 CB TYR A 39 -2.135 2.509 -9.925 1.00 0.00 C ATOM 560 CG TYR A 39 -2.453 1.288 -10.757 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.769 0.919 -11.010 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.439 0.501 -11.289 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.065 -0.197 -11.769 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.726 -0.615 -12.050 1.00 0.00 C ATOM 565 CZ TYR A 39 -3.040 -0.960 -12.287 1.00 0.00 C ATOM 566 OH TYR A 39 -3.329 -2.072 -13.044 1.00 0.00 O ATOM 0 H TYR A 39 -4.286 1.800 -8.476 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.352 1.745 -8.075 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.812 3.316 -10.206 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.125 2.844 -10.159 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.574 1.515 -10.606 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.409 0.767 -11.104 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.093 -0.470 -11.955 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.925 -1.215 -12.457 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.495 -2.497 -13.333 1.00 0.00 H new ATOM 576 N VAL A 40 -1.209 4.316 -7.629 1.00 0.00 N ATOM 577 CA VAL A 40 -1.156 5.610 -6.960 1.00 0.00 C ATOM 578 C VAL A 40 -1.692 6.717 -7.860 1.00 0.00 C ATOM 579 O VAL A 40 -0.967 7.261 -8.694 1.00 0.00 O ATOM 580 CB VAL A 40 0.281 5.962 -6.531 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.313 7.310 -5.828 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.853 4.872 -5.638 1.00 0.00 C ATOM 0 H VAL A 40 -0.324 4.018 -8.040 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.783 5.533 -6.072 1.00 0.00 H new ATOM 0 HB VAL A 40 0.902 6.030 -7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.336 7.542 -5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.053 8.082 -6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.321 7.274 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.869 5.138 -5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.233 4.769 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.868 3.927 -6.181 1.00 0.00 H new ATOM 592 N LEU A 41 -2.967 7.047 -7.686 1.00 0.00 N ATOM 593 CA LEU A 41 -3.602 8.091 -8.483 1.00 0.00 C ATOM 594 C LEU A 41 -2.708 9.323 -8.580 1.00 0.00 C ATOM 595 O LEU A 41 -2.273 9.703 -9.668 1.00 0.00 O ATOM 596 CB LEU A 41 -4.953 8.474 -7.875 1.00 0.00 C ATOM 597 CG LEU A 41 -5.838 9.385 -8.726 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.158 10.725 -8.958 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.172 8.717 -10.051 1.00 0.00 C ATOM 0 H LEU A 41 -3.581 6.607 -7.001 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.760 7.700 -9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.506 7.559 -7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.772 8.966 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.769 9.562 -8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.803 11.360 -9.566 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.971 11.209 -7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.212 10.568 -9.476 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.803 9.380 -10.644 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.251 8.509 -10.596 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.702 7.783 -9.864 1.00 0.00 H new ATOM 611 N ARG A 42 -2.434 9.941 -7.436 1.00 0.00 N ATOM 612 CA ARG A 42 -1.590 11.128 -7.391 1.00 0.00 C ATOM 613 C ARG A 42 -0.914 11.265 -6.030 1.00 0.00 C ATOM 614 O ARG A 42 -1.171 10.480 -5.116 1.00 0.00 O ATOM 615 CB ARG A 42 -2.418 12.380 -7.689 1.00 0.00 C ATOM 616 CG ARG A 42 -3.314 12.806 -6.538 1.00 0.00 C ATOM 617 CD ARG A 42 -2.595 13.757 -5.595 1.00 0.00 C ATOM 618 NE ARG A 42 -3.521 14.445 -4.699 1.00 0.00 N ATOM 619 CZ ARG A 42 -4.320 15.433 -5.086 1.00 0.00 C ATOM 620 NH1 ARG A 42 -4.305 15.848 -6.345 1.00 0.00 N ATOM 621 NH2 ARG A 42 -5.136 16.009 -4.212 1.00 0.00 N ATOM 0 H ARG A 42 -2.785 9.639 -6.527 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.817 11.021 -8.152 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.744 13.200 -7.937 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.034 12.197 -8.569 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.208 13.289 -6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.644 11.925 -5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.866 13.201 -5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.039 14.493 -6.177 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.556 14.151 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.679 15.408 -7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.920 16.607 -6.639 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.150 15.693 -3.242 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.749 16.768 -4.510 1.00 0.00 H new ATOM 635 N LEU A 43 -0.049 12.265 -5.903 1.00 0.00 N ATOM 636 CA LEU A 43 0.665 12.504 -4.653 1.00 0.00 C ATOM 637 C LEU A 43 0.495 13.950 -4.197 1.00 0.00 C ATOM 638 O LEU A 43 0.330 14.854 -5.015 1.00 0.00 O ATOM 639 CB LEU A 43 2.151 12.182 -4.822 1.00 0.00 C ATOM 640 CG LEU A 43 2.564 10.741 -4.521 1.00 0.00 C ATOM 641 CD1 LEU A 43 4.035 10.529 -4.841 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.278 10.397 -3.066 1.00 0.00 C ATOM 0 H LEU A 43 0.175 12.923 -6.649 1.00 0.00 H new ATOM 0 HA LEU A 43 0.242 11.850 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.438 12.414 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.722 12.846 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 43 1.976 10.076 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.310 9.498 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.211 10.734 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.640 11.204 -4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.578 9.368 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.839 11.069 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.212 10.508 -2.869 1.00 0.00 H new ATOM 654 N ALA A 44 0.538 14.160 -2.886 1.00 0.00 N ATOM 655 CA ALA A 44 0.392 15.496 -2.321 1.00 0.00 C ATOM 656 C ALA A 44 1.737 16.212 -2.253 1.00 0.00 C ATOM 657 O ALA A 44 2.670 15.739 -1.606 1.00 0.00 O ATOM 658 CB ALA A 44 -0.237 15.418 -0.938 1.00 0.00 C ATOM 0 H ALA A 44 0.673 13.422 -2.195 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.264 16.071 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.340 16.423 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.220 14.953 -1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.398 14.822 -0.283 1.00 0.00 H new ATOM 664 N GLU A 45 1.828 17.355 -2.926 1.00 0.00 N ATOM 665 CA GLU A 45 3.060 18.135 -2.943 1.00 0.00 C ATOM 666 C GLU A 45 3.459 18.552 -1.530 1.00 0.00 C ATOM 667 O GLU A 45 4.636 18.772 -1.246 1.00 0.00 O ATOM 668 CB GLU A 45 2.893 19.374 -3.825 1.00 0.00 C ATOM 669 CG GLU A 45 1.832 20.339 -3.325 1.00 0.00 C ATOM 670 CD GLU A 45 1.446 21.373 -4.365 1.00 0.00 C ATOM 671 OE1 GLU A 45 2.358 22.018 -4.925 1.00 0.00 O ATOM 672 OE2 GLU A 45 0.235 21.538 -4.618 1.00 0.00 O ATOM 0 H GLU A 45 1.064 17.761 -3.466 1.00 0.00 H new ATOM 0 HA GLU A 45 3.851 17.509 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.847 19.897 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.637 19.058 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.946 19.777 -3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.199 20.846 -2.433 1.00 0.00 H new ATOM 679 N ASP A 46 2.469 18.660 -0.650 1.00 0.00 N ATOM 680 CA ASP A 46 2.715 19.051 0.733 1.00 0.00 C ATOM 681 C ASP A 46 2.337 17.925 1.691 1.00 0.00 C ATOM 682 O ASP A 46 1.918 18.173 2.821 1.00 0.00 O ATOM 683 CB ASP A 46 1.927 20.316 1.076 1.00 0.00 C ATOM 684 CG ASP A 46 2.261 20.850 2.455 1.00 0.00 C ATOM 685 OD1 ASP A 46 3.464 20.991 2.762 1.00 0.00 O ATOM 686 OD2 ASP A 46 1.320 21.128 3.227 1.00 0.00 O ATOM 0 H ASP A 46 1.489 18.482 -0.870 1.00 0.00 H new ATOM 0 HA ASP A 46 3.780 19.255 0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.137 21.084 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.860 20.102 1.021 1.00 0.00 H new ATOM 691 N GLY A 47 2.488 16.687 1.230 1.00 0.00 N ATOM 692 CA GLY A 47 2.157 15.542 2.058 1.00 0.00 C ATOM 693 C GLY A 47 3.379 14.732 2.442 1.00 0.00 C ATOM 694 O GLY A 47 4.472 14.929 1.912 1.00 0.00 O ATOM 0 H GLY A 47 2.833 16.457 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.653 15.885 2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.454 14.903 1.524 1.00 0.00 H new ATOM 698 N PRO A 48 3.200 13.795 3.385 1.00 0.00 N ATOM 699 CA PRO A 48 4.286 12.933 3.861 1.00 0.00 C ATOM 700 C PRO A 48 4.732 11.926 2.807 1.00 0.00 C ATOM 701 O PRO A 48 5.873 11.467 2.817 1.00 0.00 O ATOM 702 CB PRO A 48 3.667 12.213 5.061 1.00 0.00 C ATOM 703 CG PRO A 48 2.202 12.223 4.795 1.00 0.00 C ATOM 704 CD PRO A 48 1.923 13.505 4.059 1.00 0.00 C ATOM 0 HA PRO A 48 5.182 13.504 4.105 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.046 11.195 5.150 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.903 12.724 5.994 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.908 11.359 4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.636 12.176 5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.108 13.389 3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.637 14.306 4.741 1.00 0.00 H new ATOM 712 N ALA A 49 3.823 11.587 1.898 1.00 0.00 N ATOM 713 CA ALA A 49 4.124 10.636 0.835 1.00 0.00 C ATOM 714 C ALA A 49 5.173 11.194 -0.120 1.00 0.00 C ATOM 715 O ALA A 49 6.293 10.688 -0.191 1.00 0.00 O ATOM 716 CB ALA A 49 2.856 10.274 0.077 1.00 0.00 C ATOM 0 H ALA A 49 2.873 11.957 1.877 1.00 0.00 H new ATOM 0 HA ALA A 49 4.531 9.734 1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.095 9.563 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.138 9.825 0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.425 11.174 -0.362 1.00 0.00 H new ATOM 722 N ILE A 50 4.802 12.238 -0.854 1.00 0.00 N ATOM 723 CA ILE A 50 5.712 12.864 -1.805 1.00 0.00 C ATOM 724 C ILE A 50 7.088 13.086 -1.186 1.00 0.00 C ATOM 725 O ILE A 50 8.089 13.194 -1.894 1.00 0.00 O ATOM 726 CB ILE A 50 5.163 14.213 -2.305 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.707 14.524 -3.701 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.523 15.325 -1.331 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.879 15.537 -4.460 1.00 0.00 C ATOM 0 H ILE A 50 3.878 12.668 -0.808 1.00 0.00 H new ATOM 0 HA ILE A 50 5.803 12.182 -2.650 1.00 0.00 H new ATOM 0 HB ILE A 50 4.077 14.146 -2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.728 14.896 -3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.755 13.600 -4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.128 16.272 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.092 15.107 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.607 15.394 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.323 15.709 -5.440 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.864 15.159 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.852 16.474 -3.905 1.00 0.00 H new ATOM 741 N ARG A 51 7.130 13.150 0.141 1.00 0.00 N ATOM 742 CA ARG A 51 8.383 13.358 0.857 1.00 0.00 C ATOM 743 C ARG A 51 9.099 12.032 1.095 1.00 0.00 C ATOM 744 O ARG A 51 10.327 11.978 1.138 1.00 0.00 O ATOM 745 CB ARG A 51 8.122 14.057 2.192 1.00 0.00 C ATOM 746 CG ARG A 51 7.524 15.446 2.046 1.00 0.00 C ATOM 747 CD ARG A 51 6.882 15.915 3.342 1.00 0.00 C ATOM 748 NE ARG A 51 7.815 15.869 4.464 1.00 0.00 N ATOM 749 CZ ARG A 51 7.645 16.552 5.591 1.00 0.00 C ATOM 750 NH1 ARG A 51 6.581 17.329 5.745 1.00 0.00 N ATOM 751 NH2 ARG A 51 8.539 16.458 6.567 1.00 0.00 N ATOM 0 H ARG A 51 6.311 13.061 0.742 1.00 0.00 H new ATOM 0 HA ARG A 51 9.023 13.991 0.243 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.449 13.442 2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.059 14.130 2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.302 16.149 1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.779 15.441 1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.516 16.934 3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.017 15.290 3.564 1.00 0.00 H new ATOM 0 HE ARG A 51 8.643 15.280 4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.891 17.403 4.997 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.453 17.852 6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.358 15.861 6.453 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.407 16.983 7.432 1.00 0.00 H new ATOM 765 N ASN A 52 8.322 10.965 1.251 1.00 0.00 N ATOM 766 CA ASN A 52 8.882 9.639 1.486 1.00 0.00 C ATOM 767 C ASN A 52 9.801 9.226 0.341 1.00 0.00 C ATOM 768 O ASN A 52 10.990 8.981 0.542 1.00 0.00 O ATOM 769 CB ASN A 52 7.761 8.611 1.652 1.00 0.00 C ATOM 770 CG ASN A 52 8.095 7.282 1.004 1.00 0.00 C ATOM 771 OD1 ASN A 52 9.126 6.677 1.298 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.222 6.821 0.116 1.00 0.00 N ATOM 0 H ASN A 52 7.303 10.993 1.219 1.00 0.00 H new ATOM 0 HA ASN A 52 9.469 9.677 2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.568 8.456 2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.843 9.005 1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.393 5.932 -0.353 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.380 7.356 -0.097 1.00 0.00 H new ATOM 779 N GLY A 53 9.241 9.150 -0.863 1.00 0.00 N ATOM 780 CA GLY A 53 10.024 8.767 -2.023 1.00 0.00 C ATOM 781 C GLY A 53 9.817 7.315 -2.407 1.00 0.00 C ATOM 782 O GLY A 53 9.483 7.011 -3.553 1.00 0.00 O ATOM 0 H GLY A 53 8.259 9.347 -1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.756 9.404 -2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.081 8.938 -1.817 1.00 0.00 H new ATOM 786 N ARG A 54 10.017 6.416 -1.449 1.00 0.00 N ATOM 787 CA ARG A 54 9.854 4.988 -1.694 1.00 0.00 C ATOM 788 C ARG A 54 8.765 4.737 -2.734 1.00 0.00 C ATOM 789 O ARG A 54 8.870 3.819 -3.547 1.00 0.00 O ATOM 790 CB ARG A 54 9.509 4.262 -0.393 1.00 0.00 C ATOM 791 CG ARG A 54 10.712 4.010 0.501 1.00 0.00 C ATOM 792 CD ARG A 54 11.416 2.712 0.136 1.00 0.00 C ATOM 793 NE ARG A 54 12.421 2.908 -0.904 1.00 0.00 N ATOM 794 CZ ARG A 54 13.624 3.424 -0.676 1.00 0.00 C ATOM 795 NH1 ARG A 54 13.969 3.793 0.549 1.00 0.00 N ATOM 796 NH2 ARG A 54 14.484 3.571 -1.676 1.00 0.00 N ATOM 0 H ARG A 54 10.292 6.651 -0.495 1.00 0.00 H new ATOM 0 HA ARG A 54 10.797 4.600 -2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.775 4.850 0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.039 3.308 -0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.412 4.841 0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.391 3.971 1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.890 2.295 1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.680 1.984 -0.204 1.00 0.00 H new ATOM 0 HE ARG A 54 12.187 2.634 -1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.310 3.681 1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.893 4.189 0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.222 3.288 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.407 3.967 -1.500 1.00 0.00 H new ATOM 810 N MET A 55 7.721 5.558 -2.700 1.00 0.00 N ATOM 811 CA MET A 55 6.614 5.424 -3.640 1.00 0.00 C ATOM 812 C MET A 55 6.397 6.721 -4.413 1.00 0.00 C ATOM 813 O MET A 55 6.568 7.813 -3.872 1.00 0.00 O ATOM 814 CB MET A 55 5.332 5.038 -2.899 1.00 0.00 C ATOM 815 CG MET A 55 4.688 6.197 -2.155 1.00 0.00 C ATOM 816 SD MET A 55 3.162 5.723 -1.318 1.00 0.00 S ATOM 817 CE MET A 55 1.951 6.611 -2.294 1.00 0.00 C ATOM 0 H MET A 55 7.618 6.322 -2.033 1.00 0.00 H new ATOM 0 HA MET A 55 6.866 4.636 -4.350 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.616 4.634 -3.615 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.558 4.242 -2.189 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.393 6.590 -1.422 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.477 7.003 -2.858 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.009 6.063 -2.291 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.796 7.602 -1.868 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.310 6.709 -3.318 1.00 0.00 H new ATOM 827 N ARG A 56 6.020 6.592 -5.681 1.00 0.00 N ATOM 828 CA ARG A 56 5.782 7.755 -6.529 1.00 0.00 C ATOM 829 C ARG A 56 4.534 7.557 -7.384 1.00 0.00 C ATOM 830 O ARG A 56 3.861 6.530 -7.291 1.00 0.00 O ATOM 831 CB ARG A 56 6.993 8.014 -7.427 1.00 0.00 C ATOM 832 CG ARG A 56 7.985 9.006 -6.842 1.00 0.00 C ATOM 833 CD ARG A 56 8.885 8.349 -5.807 1.00 0.00 C ATOM 834 NE ARG A 56 10.215 8.953 -5.777 1.00 0.00 N ATOM 835 CZ ARG A 56 11.193 8.618 -6.611 1.00 0.00 C ATOM 836 NH1 ARG A 56 10.991 7.690 -7.536 1.00 0.00 N ATOM 837 NH2 ARG A 56 12.376 9.212 -6.520 1.00 0.00 N ATOM 0 H ARG A 56 5.873 5.695 -6.144 1.00 0.00 H new ATOM 0 HA ARG A 56 5.626 8.619 -5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.504 7.070 -7.614 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.647 8.386 -8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.595 9.427 -7.641 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.445 9.834 -6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.426 8.433 -4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.975 7.285 -6.027 1.00 0.00 H new ATOM 0 HE ARG A 56 10.403 9.671 -5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.083 7.231 -7.609 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.744 7.435 -8.175 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.535 9.926 -5.809 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.127 8.954 -7.161 1.00 0.00 H new ATOM 851 N VAL A 57 4.230 8.549 -8.215 1.00 0.00 N ATOM 852 CA VAL A 57 3.063 8.485 -9.087 1.00 0.00 C ATOM 853 C VAL A 57 3.346 7.638 -10.323 1.00 0.00 C ATOM 854 O VAL A 57 4.361 7.820 -10.994 1.00 0.00 O ATOM 855 CB VAL A 57 2.617 9.890 -9.532 1.00 0.00 C ATOM 856 CG1 VAL A 57 1.429 9.799 -10.478 1.00 0.00 C ATOM 857 CG2 VAL A 57 2.281 10.750 -8.323 1.00 0.00 C ATOM 0 H VAL A 57 4.776 9.406 -8.303 1.00 0.00 H new ATOM 0 HA VAL A 57 2.262 8.024 -8.510 1.00 0.00 H new ATOM 0 HB VAL A 57 3.442 10.361 -10.067 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.128 10.802 -10.782 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.709 9.222 -11.359 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.598 9.308 -9.972 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.968 11.739 -8.656 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.473 10.284 -7.759 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.161 10.843 -7.687 1.00 0.00 H new ATOM 867 N GLY A 58 2.441 6.710 -10.618 1.00 0.00 N ATOM 868 CA GLY A 58 2.611 5.849 -11.774 1.00 0.00 C ATOM 869 C GLY A 58 3.140 4.478 -11.402 1.00 0.00 C ATOM 870 O GLY A 58 3.851 3.846 -12.184 1.00 0.00 O ATOM 0 H GLY A 58 1.593 6.539 -10.077 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.655 5.740 -12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.297 6.321 -12.477 1.00 0.00 H new ATOM 874 N ASP A 59 2.795 4.017 -10.204 1.00 0.00 N ATOM 875 CA ASP A 59 3.241 2.712 -9.730 1.00 0.00 C ATOM 876 C ASP A 59 2.056 1.771 -9.535 1.00 0.00 C ATOM 877 O ASP A 59 0.902 2.179 -9.660 1.00 0.00 O ATOM 878 CB ASP A 59 4.012 2.860 -8.417 1.00 0.00 C ATOM 879 CG ASP A 59 5.484 3.145 -8.639 1.00 0.00 C ATOM 880 OD1 ASP A 59 6.188 2.255 -9.160 1.00 0.00 O ATOM 881 OD2 ASP A 59 5.933 4.257 -8.292 1.00 0.00 O ATOM 0 H ASP A 59 2.208 4.528 -9.544 1.00 0.00 H new ATOM 0 HA ASP A 59 3.901 2.284 -10.484 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.573 3.667 -7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.906 1.947 -7.832 1.00 0.00 H new ATOM 886 N GLN A 60 2.352 0.512 -9.231 1.00 0.00 N ATOM 887 CA GLN A 60 1.310 -0.487 -9.021 1.00 0.00 C ATOM 888 C GLN A 60 1.414 -1.097 -7.627 1.00 0.00 C ATOM 889 O GLN A 60 2.412 -1.735 -7.291 1.00 0.00 O ATOM 890 CB GLN A 60 1.408 -1.587 -10.081 1.00 0.00 C ATOM 891 CG GLN A 60 0.149 -2.430 -10.201 1.00 0.00 C ATOM 892 CD GLN A 60 0.165 -3.637 -9.284 1.00 0.00 C ATOM 893 OE1 GLN A 60 -0.422 -3.491 -8.102 1.00 0.00 O flip ATOM 894 NE2 GLN A 60 0.700 -4.689 -9.633 1.00 0.00 N flip ATOM 0 H GLN A 60 3.303 0.159 -9.125 1.00 0.00 H new ATOM 0 HA GLN A 60 0.343 0.008 -9.110 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.623 -1.131 -11.047 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.249 -2.237 -9.841 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.720 -1.814 -9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.037 -2.764 -11.233 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.140 -4.758 -10.551 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.704 -5.492 -9.004 1.00 0.00 H new ATOM 903 N ILE A 61 0.377 -0.897 -6.821 1.00 0.00 N ATOM 904 CA ILE A 61 0.351 -1.428 -5.464 1.00 0.00 C ATOM 905 C ILE A 61 -0.193 -2.852 -5.441 1.00 0.00 C ATOM 906 O ILE A 61 -1.327 -3.101 -5.852 1.00 0.00 O ATOM 907 CB ILE A 61 -0.503 -0.549 -4.531 1.00 0.00 C ATOM 908 CG1 ILE A 61 -0.109 0.922 -4.678 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.349 -1.002 -3.087 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.205 1.885 -4.277 1.00 0.00 C ATOM 0 H ILE A 61 -0.456 -0.371 -7.084 1.00 0.00 H new ATOM 0 HA ILE A 61 1.381 -1.429 -5.106 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.550 -0.656 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.774 1.116 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.170 1.113 -5.714 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.959 -0.371 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.674 -2.038 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.697 -0.922 -2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.855 2.909 -4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.082 1.719 -4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.469 1.722 -3.232 1.00 0.00 H new ATOM 922 N ILE A 62 0.622 -3.783 -4.956 1.00 0.00 N ATOM 923 CA ILE A 62 0.221 -5.182 -4.877 1.00 0.00 C ATOM 924 C ILE A 62 -0.263 -5.536 -3.475 1.00 0.00 C ATOM 925 O ILE A 62 -1.122 -6.402 -3.305 1.00 0.00 O ATOM 926 CB ILE A 62 1.379 -6.122 -5.261 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.723 -5.479 -4.914 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.315 -6.464 -6.742 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.184 -4.457 -5.930 1.00 0.00 C ATOM 0 H ILE A 62 1.563 -3.594 -4.612 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.596 -5.317 -5.586 1.00 0.00 H new ATOM 0 HB ILE A 62 1.282 -7.046 -4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.646 -5.000 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.479 -6.260 -4.827 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.140 -7.129 -6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.369 -6.959 -6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.390 -5.549 -7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.143 -4.042 -5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.293 -4.935 -6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.448 -3.656 -6.000 1.00 0.00 H new ATOM 941 N GLU A 63 0.292 -4.860 -2.474 1.00 0.00 N ATOM 942 CA GLU A 63 -0.085 -5.104 -1.087 1.00 0.00 C ATOM 943 C GLU A 63 -0.419 -3.795 -0.376 1.00 0.00 C ATOM 944 O GLU A 63 0.147 -2.746 -0.687 1.00 0.00 O ATOM 945 CB GLU A 63 1.044 -5.825 -0.347 1.00 0.00 C ATOM 946 CG GLU A 63 0.625 -6.391 0.999 1.00 0.00 C ATOM 947 CD GLU A 63 1.768 -7.074 1.725 1.00 0.00 C ATOM 948 OE1 GLU A 63 2.089 -8.228 1.371 1.00 0.00 O ATOM 949 OE2 GLU A 63 2.340 -6.456 2.647 1.00 0.00 O ATOM 0 H GLU A 63 1.004 -4.140 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.973 -5.736 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.417 -6.636 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.871 -5.131 -0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.233 -5.587 1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.186 -7.105 0.853 1.00 0.00 H new ATOM 956 N ILE A 64 -1.341 -3.866 0.578 1.00 0.00 N ATOM 957 CA ILE A 64 -1.749 -2.688 1.333 1.00 0.00 C ATOM 958 C ILE A 64 -1.947 -3.021 2.808 1.00 0.00 C ATOM 959 O ILE A 64 -2.900 -3.706 3.177 1.00 0.00 O ATOM 960 CB ILE A 64 -3.052 -2.086 0.775 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.855 -1.642 -0.675 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.506 -0.916 1.636 1.00 0.00 C ATOM 963 CD1 ILE A 64 -4.084 -1.005 -1.285 1.00 0.00 C ATOM 0 H ILE A 64 -1.819 -4.726 0.846 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.948 -1.956 1.233 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.827 -2.852 0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.028 -0.933 -0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.568 -2.506 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.428 -0.501 1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.682 -1.261 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.733 -0.147 1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.871 -0.715 -2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.908 -1.718 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.360 -0.122 -0.709 1.00 0.00 H new ATOM 975 N ASN A 65 -1.040 -2.531 3.647 1.00 0.00 N ATOM 976 CA ASN A 65 -1.115 -2.776 5.083 1.00 0.00 C ATOM 977 C ASN A 65 -1.161 -4.272 5.377 1.00 0.00 C ATOM 978 O ASN A 65 -1.942 -4.728 6.212 1.00 0.00 O ATOM 979 CB ASN A 65 -2.349 -2.090 5.674 1.00 0.00 C ATOM 980 CG ASN A 65 -2.059 -0.674 6.133 1.00 0.00 C ATOM 981 OD1 ASN A 65 -0.936 -0.354 6.523 1.00 0.00 O ATOM 982 ND2 ASN A 65 -3.073 0.181 6.089 1.00 0.00 N ATOM 0 H ASN A 65 -0.245 -1.962 3.357 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.220 -2.360 5.545 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.143 -2.072 4.928 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.717 -2.674 6.517 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.938 1.148 6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.987 -0.128 5.758 1.00 0.00 H new ATOM 989 N GLY A 66 -0.318 -5.033 4.685 1.00 0.00 N ATOM 990 CA GLY A 66 -0.278 -6.469 4.887 1.00 0.00 C ATOM 991 C GLY A 66 -1.578 -7.146 4.500 1.00 0.00 C ATOM 992 O GLY A 66 -2.041 -8.054 5.189 1.00 0.00 O ATOM 0 H GLY A 66 0.338 -4.680 3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.537 -6.893 4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.060 -6.679 5.934 1.00 0.00 H new ATOM 996 N GLU A 67 -2.169 -6.701 3.396 1.00 0.00 N ATOM 997 CA GLU A 67 -3.425 -7.268 2.921 1.00 0.00 C ATOM 998 C GLU A 67 -3.402 -7.452 1.406 1.00 0.00 C ATOM 999 O GLU A 67 -3.091 -6.522 0.663 1.00 0.00 O ATOM 1000 CB GLU A 67 -4.599 -6.371 3.319 1.00 0.00 C ATOM 1001 CG GLU A 67 -4.788 -6.246 4.821 1.00 0.00 C ATOM 1002 CD GLU A 67 -5.610 -7.381 5.402 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -5.517 -8.509 4.875 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -6.344 -7.140 6.383 1.00 0.00 O ATOM 0 H GLU A 67 -1.798 -5.950 2.814 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.550 -8.246 3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.446 -5.378 2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.514 -6.767 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.812 -6.224 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.276 -5.297 5.044 1.00 0.00 H new ATOM 1011 N SER A 68 -3.731 -8.659 0.957 1.00 0.00 N ATOM 1012 CA SER A 68 -3.743 -8.967 -0.468 1.00 0.00 C ATOM 1013 C SER A 68 -4.666 -8.014 -1.222 1.00 0.00 C ATOM 1014 O SER A 68 -5.840 -7.867 -0.880 1.00 0.00 O ATOM 1015 CB SER A 68 -4.188 -10.413 -0.695 1.00 0.00 C ATOM 1016 OG SER A 68 -3.093 -11.306 -0.590 1.00 0.00 O ATOM 0 H SER A 68 -3.993 -9.439 1.559 1.00 0.00 H new ATOM 0 HA SER A 68 -2.730 -8.842 -0.850 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.951 -10.681 0.036 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.644 -10.506 -1.681 1.00 0.00 H new ATOM 0 HG SER A 68 -3.404 -12.224 -0.737 1.00 0.00 H new ATOM 1022 N THR A 69 -4.127 -7.368 -2.251 1.00 0.00 N ATOM 1023 CA THR A 69 -4.900 -6.428 -3.053 1.00 0.00 C ATOM 1024 C THR A 69 -5.246 -7.022 -4.414 1.00 0.00 C ATOM 1025 O THR A 69 -5.079 -6.372 -5.446 1.00 0.00 O ATOM 1026 CB THR A 69 -4.137 -5.107 -3.262 1.00 0.00 C ATOM 1027 OG1 THR A 69 -3.096 -5.290 -4.229 1.00 0.00 O ATOM 1028 CG2 THR A 69 -3.539 -4.615 -1.953 1.00 0.00 C ATOM 0 H THR A 69 -3.158 -7.479 -2.549 1.00 0.00 H new ATOM 0 HA THR A 69 -5.819 -6.225 -2.503 1.00 0.00 H new ATOM 0 HB THR A 69 -4.842 -4.359 -3.625 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.591 -6.102 -4.016 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.005 -3.681 -2.125 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.336 -4.449 -1.228 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.847 -5.362 -1.566 1.00 0.00 H new ATOM 1036 N ARG A 70 -5.730 -8.260 -4.408 1.00 0.00 N ATOM 1037 CA ARG A 70 -6.099 -8.942 -5.643 1.00 0.00 C ATOM 1038 C ARG A 70 -7.616 -8.986 -5.807 1.00 0.00 C ATOM 1039 O ARG A 70 -8.135 -8.844 -6.914 1.00 0.00 O ATOM 1040 CB ARG A 70 -5.532 -10.363 -5.656 1.00 0.00 C ATOM 1041 CG ARG A 70 -6.026 -11.205 -6.821 1.00 0.00 C ATOM 1042 CD ARG A 70 -5.152 -11.020 -8.051 1.00 0.00 C ATOM 1043 NE ARG A 70 -5.706 -11.693 -9.223 1.00 0.00 N ATOM 1044 CZ ARG A 70 -5.513 -12.980 -9.491 1.00 0.00 C ATOM 1045 NH1 ARG A 70 -4.783 -13.728 -8.675 1.00 0.00 N ATOM 1046 NH2 ARG A 70 -6.051 -13.521 -10.577 1.00 0.00 N ATOM 0 H ARG A 70 -5.876 -8.811 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.676 -8.383 -6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.444 -10.311 -5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.796 -10.859 -4.722 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.034 -12.256 -6.534 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.054 -10.932 -7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.043 -9.956 -8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.154 -11.408 -7.848 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.272 -11.145 -9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.368 -13.316 -7.839 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.636 -14.716 -8.883 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.613 -12.949 -11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.902 -14.509 -10.782 1.00 0.00 H new ATOM 1060 N ASP A 71 -8.320 -9.185 -4.698 1.00 0.00 N ATOM 1061 CA ASP A 71 -9.776 -9.248 -4.718 1.00 0.00 C ATOM 1062 C ASP A 71 -10.379 -8.179 -3.811 1.00 0.00 C ATOM 1063 O ASP A 71 -11.287 -8.456 -3.028 1.00 0.00 O ATOM 1064 CB ASP A 71 -10.254 -10.634 -4.281 1.00 0.00 C ATOM 1065 CG ASP A 71 -9.347 -11.742 -4.778 1.00 0.00 C ATOM 1066 OD1 ASP A 71 -9.087 -11.794 -5.998 1.00 0.00 O ATOM 1067 OD2 ASP A 71 -8.897 -12.559 -3.946 1.00 0.00 O ATOM 0 H ASP A 71 -7.905 -9.305 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.109 -9.063 -5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.305 -10.671 -3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.265 -10.801 -4.654 1.00 0.00 H new ATOM 1072 N MET A 72 -9.866 -6.958 -3.922 1.00 0.00 N ATOM 1073 CA MET A 72 -10.354 -5.848 -3.112 1.00 0.00 C ATOM 1074 C MET A 72 -10.847 -4.707 -3.995 1.00 0.00 C ATOM 1075 O MET A 72 -10.388 -4.538 -5.125 1.00 0.00 O ATOM 1076 CB MET A 72 -9.250 -5.346 -2.179 1.00 0.00 C ATOM 1077 CG MET A 72 -8.492 -6.462 -1.479 1.00 0.00 C ATOM 1078 SD MET A 72 -7.799 -5.945 0.103 1.00 0.00 S ATOM 1079 CE MET A 72 -6.930 -4.455 -0.378 1.00 0.00 C ATOM 0 H MET A 72 -9.113 -6.712 -4.565 1.00 0.00 H new ATOM 0 HA MET A 72 -11.190 -6.208 -2.513 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.546 -4.744 -2.754 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.691 -4.690 -1.428 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.162 -7.306 -1.319 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.688 -6.812 -2.127 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.037 -4.341 0.236 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.643 -4.524 -1.427 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.581 -3.592 -0.236 1.00 0.00 H new ATOM 1089 N THR A 73 -11.787 -3.924 -3.473 1.00 0.00 N ATOM 1090 CA THR A 73 -12.344 -2.800 -4.214 1.00 0.00 C ATOM 1091 C THR A 73 -11.692 -1.487 -3.794 1.00 0.00 C ATOM 1092 O THR A 73 -11.369 -1.290 -2.622 1.00 0.00 O ATOM 1093 CB THR A 73 -13.867 -2.692 -4.011 1.00 0.00 C ATOM 1094 OG1 THR A 73 -14.178 -2.730 -2.614 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.589 -3.822 -4.729 1.00 0.00 C ATOM 0 H THR A 73 -12.178 -4.049 -2.539 1.00 0.00 H new ATOM 0 HA THR A 73 -12.138 -2.984 -5.268 1.00 0.00 H new ATOM 0 HB THR A 73 -14.202 -1.744 -4.431 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.148 -2.659 -2.493 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.663 -3.725 -4.572 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.373 -3.772 -5.796 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.249 -4.780 -4.334 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.502 -0.591 -4.757 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.890 0.705 -4.485 1.00 0.00 C ATOM 1105 C HIS A 74 -11.273 1.207 -3.096 1.00 0.00 C ATOM 1106 O HIS A 74 -10.468 1.833 -2.408 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.312 1.724 -5.543 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.398 2.906 -5.636 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.617 3.963 -6.495 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.256 3.197 -4.969 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.649 4.850 -6.353 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.810 4.410 -5.433 1.00 0.00 N ATOM 0 H HIS A 74 -11.763 -0.738 -5.732 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.808 0.582 -4.521 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.354 1.231 -6.514 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.320 2.072 -5.318 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -11.404 4.046 -7.139 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.784 2.588 -4.212 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.559 5.778 -6.897 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.508 0.928 -2.692 1.00 0.00 N ATOM 1122 CA ALA A 75 -12.998 1.350 -1.386 1.00 0.00 C ATOM 1123 C ALA A 75 -12.216 0.677 -0.263 1.00 0.00 C ATOM 1124 O ALA A 75 -11.704 1.344 0.637 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.482 1.044 -1.254 1.00 0.00 C ATOM 0 H ALA A 75 -13.187 0.411 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.852 2.427 -1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.834 1.365 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.034 1.576 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.644 -0.028 -1.365 1.00 0.00 H new ATOM 1131 N ARG A 76 -12.128 -0.648 -0.321 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.409 -1.411 0.693 1.00 0.00 C ATOM 1133 C ARG A 76 -10.032 -0.809 0.952 1.00 0.00 C ATOM 1134 O ARG A 76 -9.642 -0.597 2.100 1.00 0.00 O ATOM 1135 CB ARG A 76 -11.266 -2.870 0.256 1.00 0.00 C ATOM 1136 CG ARG A 76 -10.321 -3.678 1.131 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.673 -3.542 2.604 1.00 0.00 C ATOM 1138 NE ARG A 76 -10.324 -4.740 3.363 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.602 -4.901 4.652 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.229 -3.944 5.322 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -10.252 -6.020 5.273 1.00 0.00 N ATOM 0 H ARG A 76 -12.545 -1.215 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.983 -1.370 1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.249 -3.341 0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.909 -2.899 -0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.363 -4.728 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.297 -3.343 0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.151 -2.682 3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.741 -3.347 2.705 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.840 -5.495 2.877 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.499 -3.082 4.848 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.442 -4.070 6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.769 -6.758 4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.466 -6.142 6.263 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.299 -0.536 -0.123 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.966 0.043 -0.011 1.00 0.00 C ATOM 1157 C ALA A 77 -8.001 1.357 0.762 1.00 0.00 C ATOM 1158 O ALA A 77 -7.210 1.566 1.683 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.367 0.258 -1.394 1.00 0.00 C ATOM 0 H ALA A 77 -9.606 -0.707 -1.081 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.338 -0.656 0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.371 0.691 -1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.298 -0.698 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.003 0.935 -1.965 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.920 2.237 0.382 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.057 3.530 1.042 1.00 0.00 C ATOM 1167 C ILE A 78 -9.410 3.361 2.515 1.00 0.00 C ATOM 1168 O ILE A 78 -9.335 4.311 3.294 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.134 4.397 0.363 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.848 4.525 -1.135 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.198 5.770 1.015 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -8.929 5.676 -1.478 1.00 0.00 C ATOM 0 H ILE A 78 -9.581 2.079 -0.379 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.093 4.031 0.958 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.102 3.912 0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.403 3.596 -1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.791 4.652 -1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.964 6.371 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.445 5.660 2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.231 6.264 0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.770 5.706 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.381 6.612 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.972 5.540 -0.974 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.795 2.145 2.890 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.159 1.852 4.272 1.00 0.00 C ATOM 1186 C GLU A 79 -8.950 1.354 5.059 1.00 0.00 C ATOM 1187 O GLU A 79 -8.751 1.728 6.215 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.276 0.808 4.317 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.237 -0.072 5.556 1.00 0.00 C ATOM 1190 CD GLU A 79 -11.969 0.544 6.732 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -11.550 1.626 7.192 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.963 -0.057 7.192 1.00 0.00 O ATOM 0 H GLU A 79 -9.863 1.348 2.257 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.515 2.774 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.239 1.316 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.208 0.177 3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.680 -1.040 5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.199 -0.255 5.834 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.147 0.507 4.424 1.00 0.00 N ATOM 1200 CA LEU A 80 -6.957 -0.044 5.064 1.00 0.00 C ATOM 1201 C LEU A 80 -5.953 1.058 5.387 1.00 0.00 C ATOM 1202 O LEU A 80 -5.334 1.054 6.452 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.307 -1.093 4.160 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.188 -2.280 3.769 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.461 -3.181 2.783 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.605 -3.064 5.004 1.00 0.00 C ATOM 0 H LEU A 80 -8.298 0.187 3.467 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.262 -0.517 5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.971 -0.600 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.418 -1.476 4.662 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.087 -1.898 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.103 -4.020 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.213 -2.614 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.545 -3.556 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.231 -3.905 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.717 -3.436 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.165 -2.414 5.676 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.798 2.000 4.464 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.872 3.110 4.652 1.00 0.00 C ATOM 1220 C ILE A 81 -5.161 3.852 5.953 1.00 0.00 C ATOM 1221 O ILE A 81 -4.246 4.327 6.625 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.941 4.106 3.480 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.721 3.380 2.151 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.912 5.211 3.662 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.181 4.171 0.947 1.00 0.00 C ATOM 0 H ILE A 81 -6.302 2.017 3.577 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.871 2.682 4.695 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.933 4.558 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.661 3.152 2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.251 2.428 2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.974 5.907 2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.111 5.743 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.913 4.776 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.994 3.595 0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.248 4.377 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.633 5.112 0.899 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.439 3.946 6.303 1.00 0.00 N ATOM 1238 CA LYS A 82 -6.850 4.627 7.524 1.00 0.00 C ATOM 1239 C LYS A 82 -7.087 3.627 8.651 1.00 0.00 C ATOM 1240 O LYS A 82 -7.174 4.003 9.820 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.121 5.442 7.276 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.041 4.830 6.233 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.277 5.686 6.009 1.00 0.00 C ATOM 1244 CE LYS A 82 -9.939 6.965 5.257 1.00 0.00 C ATOM 1245 NZ LYS A 82 -9.628 8.088 6.185 1.00 0.00 N ATOM 0 H LYS A 82 -7.209 3.558 5.757 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.047 5.301 7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.666 5.544 8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.842 6.447 6.958 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.501 4.715 5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.341 3.832 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.018 5.117 5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.727 5.935 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.085 6.787 4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.777 7.243 4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.358 8.823 6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.608 7.735 7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.700 8.491 5.944 1.00 0.00 H new ATOM 1259 N SER A 83 -7.189 2.351 8.293 1.00 0.00 N ATOM 1260 CA SER A 83 -7.419 1.297 9.274 1.00 0.00 C ATOM 1261 C SER A 83 -6.154 1.023 10.082 1.00 0.00 C ATOM 1262 O SER A 83 -6.219 0.691 11.265 1.00 0.00 O ATOM 1263 CB SER A 83 -7.880 0.015 8.578 1.00 0.00 C ATOM 1264 OG SER A 83 -8.374 -0.925 9.517 1.00 0.00 O ATOM 0 H SER A 83 -7.116 2.022 7.330 1.00 0.00 H new ATOM 0 HA SER A 83 -8.200 1.633 9.956 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.657 0.251 7.851 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.049 -0.421 8.025 1.00 0.00 H new ATOM 0 HG SER A 83 -8.664 -1.735 9.048 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.002 1.165 9.434 1.00 0.00 N ATOM 1271 CA GLY A 84 -3.738 0.930 10.107 1.00 0.00 C ATOM 1272 C GLY A 84 -3.427 1.990 11.144 1.00 0.00 C ATOM 1273 O GLY A 84 -2.865 1.692 12.197 1.00 0.00 O ATOM 0 H GLY A 84 -4.922 1.439 8.455 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.762 -0.048 10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -2.937 0.902 9.369 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.791 3.234 10.845 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.537 4.323 11.769 1.00 0.00 C ATOM 1279 C GLY A 85 -2.855 5.502 11.103 1.00 0.00 C ATOM 1280 O GLY A 85 -3.283 5.956 10.042 1.00 0.00 O ATOM 0 H GLY A 85 -4.257 3.506 9.979 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.480 4.652 12.206 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.915 3.963 12.588 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.793 5.999 11.727 1.00 0.00 N ATOM 1285 CA ARG A 86 -1.052 7.134 11.189 1.00 0.00 C ATOM 1286 C ARG A 86 0.085 6.663 10.288 1.00 0.00 C ATOM 1287 O ARG A 86 0.622 7.436 9.494 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.495 7.991 12.327 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.404 9.142 12.725 1.00 0.00 C ATOM 1290 CD ARG A 86 -1.101 9.631 14.133 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.954 10.752 14.519 1.00 0.00 N ATOM 1292 CZ ARG A 86 -1.621 11.644 15.445 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -0.459 11.546 16.076 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -2.450 12.636 15.741 1.00 0.00 N ATOM 0 H ARG A 86 -1.426 5.634 12.606 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.739 7.735 10.593 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.324 7.357 13.197 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.474 8.391 12.028 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.282 9.964 12.019 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.444 8.822 12.666 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.238 8.812 14.839 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.056 9.933 14.195 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.855 10.855 14.052 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.181 10.785 15.851 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.205 12.232 16.787 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.345 12.715 15.257 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.193 13.320 16.452 1.00 0.00 H new ATOM 1308 N ARG A 87 0.447 5.391 10.417 1.00 0.00 N ATOM 1309 CA ARG A 87 1.522 4.818 9.615 1.00 0.00 C ATOM 1310 C ARG A 87 0.994 3.705 8.714 1.00 0.00 C ATOM 1311 O ARG A 87 0.374 2.752 9.185 1.00 0.00 O ATOM 1312 CB ARG A 87 2.628 4.273 10.521 1.00 0.00 C ATOM 1313 CG ARG A 87 3.136 5.283 11.537 1.00 0.00 C ATOM 1314 CD ARG A 87 3.894 4.605 12.666 1.00 0.00 C ATOM 1315 NE ARG A 87 3.015 4.237 13.772 1.00 0.00 N ATOM 1316 CZ ARG A 87 3.320 3.313 14.678 1.00 0.00 C ATOM 1317 NH1 ARG A 87 4.476 2.668 14.608 1.00 0.00 N ATOM 1318 NH2 ARG A 87 2.467 3.034 15.655 1.00 0.00 N ATOM 0 H ARG A 87 0.012 4.738 11.069 1.00 0.00 H new ATOM 0 HA ARG A 87 1.933 5.608 8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.254 3.396 11.049 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.462 3.941 9.903 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.787 6.003 11.041 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.295 5.843 11.947 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.390 3.712 12.285 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.675 5.272 13.030 1.00 0.00 H new ATOM 0 HE ARG A 87 2.118 4.715 13.854 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.134 2.880 13.858 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.708 1.960 15.304 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.577 3.528 15.711 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.702 2.325 16.350 1.00 0.00 H new ATOM 1332 N VAL A 88 1.243 3.834 7.415 1.00 0.00 N ATOM 1333 CA VAL A 88 0.794 2.840 6.447 1.00 0.00 C ATOM 1334 C VAL A 88 1.973 2.229 5.700 1.00 0.00 C ATOM 1335 O VAL A 88 2.959 2.908 5.412 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.185 3.452 5.428 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.522 4.482 4.561 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.812 2.362 4.571 1.00 0.00 C ATOM 0 H VAL A 88 1.754 4.618 7.008 1.00 0.00 H new ATOM 0 HA VAL A 88 0.281 2.060 7.009 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.982 3.957 5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.185 4.904 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.919 5.278 5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.340 4.004 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.501 2.812 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.029 1.827 4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.355 1.665 5.209 1.00 0.00 H new ATOM 1348 N ARG A 89 1.866 0.941 5.387 1.00 0.00 N ATOM 1349 CA ARG A 89 2.924 0.238 4.673 1.00 0.00 C ATOM 1350 C ARG A 89 2.345 -0.624 3.554 1.00 0.00 C ATOM 1351 O ARG A 89 1.662 -1.616 3.810 1.00 0.00 O ATOM 1352 CB ARG A 89 3.728 -0.635 5.639 1.00 0.00 C ATOM 1353 CG ARG A 89 4.678 -1.596 4.944 1.00 0.00 C ATOM 1354 CD ARG A 89 5.336 -2.543 5.936 1.00 0.00 C ATOM 1355 NE ARG A 89 6.551 -3.146 5.393 1.00 0.00 N ATOM 1356 CZ ARG A 89 7.507 -3.677 6.146 1.00 0.00 C ATOM 1357 NH1 ARG A 89 7.392 -3.679 7.467 1.00 0.00 N ATOM 1358 NH2 ARG A 89 8.583 -4.207 5.579 1.00 0.00 N ATOM 0 H ARG A 89 1.057 0.364 5.617 1.00 0.00 H new ATOM 0 HA ARG A 89 3.586 0.983 4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.300 0.009 6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.038 -1.206 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.132 -2.172 4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.445 -1.032 4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.578 -2.000 6.850 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.632 -3.329 6.209 1.00 0.00 H new ATOM 0 HE ARG A 89 6.671 -3.160 4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.567 -3.272 7.908 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.128 -4.088 8.042 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.677 -4.207 4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.317 -4.615 6.159 1.00 0.00 H new ATOM 1372 N LEU A 90 2.621 -0.237 2.313 1.00 0.00 N ATOM 1373 CA LEU A 90 2.128 -0.973 1.155 1.00 0.00 C ATOM 1374 C LEU A 90 3.279 -1.395 0.247 1.00 0.00 C ATOM 1375 O LEU A 90 4.293 -0.702 0.150 1.00 0.00 O ATOM 1376 CB LEU A 90 1.131 -0.119 0.370 1.00 0.00 C ATOM 1377 CG LEU A 90 1.298 1.395 0.497 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.929 2.085 -0.807 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.453 1.931 1.643 1.00 0.00 C ATOM 0 H LEU A 90 3.184 0.582 2.084 1.00 0.00 H new ATOM 0 HA LEU A 90 1.625 -1.871 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.206 -0.385 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.124 -0.382 0.694 1.00 0.00 H new ATOM 0 HG LEU A 90 2.345 1.608 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.054 3.162 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.577 1.724 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.109 1.864 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.585 3.010 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.597 1.706 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.765 1.462 2.576 1.00 0.00 H new ATOM 1391 N LEU A 91 3.114 -2.533 -0.419 1.00 0.00 N ATOM 1392 CA LEU A 91 4.139 -3.046 -1.322 1.00 0.00 C ATOM 1393 C LEU A 91 3.976 -2.458 -2.720 1.00 0.00 C ATOM 1394 O LEU A 91 2.964 -2.681 -3.385 1.00 0.00 O ATOM 1395 CB LEU A 91 4.070 -4.573 -1.387 1.00 0.00 C ATOM 1396 CG LEU A 91 5.345 -5.283 -1.845 1.00 0.00 C ATOM 1397 CD1 LEU A 91 5.165 -6.792 -1.788 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.724 -4.842 -3.251 1.00 0.00 C ATOM 0 H LEU A 91 2.281 -3.118 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 91 5.113 -2.748 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.805 -4.947 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.260 -4.852 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 91 6.155 -5.009 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.082 -7.281 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.941 -7.093 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.343 -7.085 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.633 -5.357 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.915 -5.087 -3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.895 -3.766 -3.261 1.00 0.00 H new ATOM 1410 N LEU A 92 4.980 -1.708 -3.160 1.00 0.00 N ATOM 1411 CA LEU A 92 4.951 -1.089 -4.481 1.00 0.00 C ATOM 1412 C LEU A 92 6.198 -1.452 -5.280 1.00 0.00 C ATOM 1413 O LEU A 92 7.260 -1.710 -4.712 1.00 0.00 O ATOM 1414 CB LEU A 92 4.838 0.431 -4.352 1.00 0.00 C ATOM 1415 CG LEU A 92 4.290 1.169 -5.574 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.771 1.109 -5.598 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.768 2.614 -5.581 1.00 0.00 C ATOM 0 H LEU A 92 5.824 -1.514 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 92 4.078 -1.468 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.198 0.657 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.826 0.831 -4.124 1.00 0.00 H new ATOM 0 HG LEU A 92 4.666 0.677 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.400 1.640 -6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.449 0.069 -5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.374 1.576 -4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.369 3.125 -6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.421 3.117 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.857 2.637 -5.612 1.00 0.00 H new ATOM 1429 N LYS A 93 6.064 -1.467 -6.602 1.00 0.00 N ATOM 1430 CA LYS A 93 7.180 -1.794 -7.481 1.00 0.00 C ATOM 1431 C LYS A 93 7.289 -0.786 -8.621 1.00 0.00 C ATOM 1432 O LYS A 93 6.307 -0.504 -9.308 1.00 0.00 O ATOM 1433 CB LYS A 93 7.013 -3.206 -8.049 1.00 0.00 C ATOM 1434 CG LYS A 93 5.687 -3.423 -8.756 1.00 0.00 C ATOM 1435 CD LYS A 93 5.677 -4.729 -9.534 1.00 0.00 C ATOM 1436 CE LYS A 93 4.676 -4.688 -10.678 1.00 0.00 C ATOM 1437 NZ LYS A 93 5.106 -3.761 -11.760 1.00 0.00 N ATOM 0 H LYS A 93 5.193 -1.256 -7.088 1.00 0.00 H new ATOM 0 HA LYS A 93 8.097 -1.752 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.825 -3.406 -8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.105 -3.928 -7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.880 -3.429 -8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.496 -2.592 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.674 -4.927 -9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.431 -5.552 -8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.552 -5.691 -11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.703 -4.376 -10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.922 -4.198 -12.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.574 -2.871 -11.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.123 -3.565 -11.666 1.00 0.00 H new ATOM 1451 N ARG A 94 8.488 -0.248 -8.816 1.00 0.00 N ATOM 1452 CA ARG A 94 8.724 0.729 -9.873 1.00 0.00 C ATOM 1453 C ARG A 94 9.542 0.116 -11.006 1.00 0.00 C ATOM 1454 O ARG A 94 10.367 -0.769 -10.782 1.00 0.00 O ATOM 1455 CB ARG A 94 9.447 1.954 -9.312 1.00 0.00 C ATOM 1456 CG ARG A 94 10.006 2.875 -10.384 1.00 0.00 C ATOM 1457 CD ARG A 94 8.897 3.490 -11.224 1.00 0.00 C ATOM 1458 NE ARG A 94 8.400 4.736 -10.646 1.00 0.00 N ATOM 1459 CZ ARG A 94 7.632 5.596 -11.305 1.00 0.00 C ATOM 1460 NH1 ARG A 94 7.274 5.347 -12.557 1.00 0.00 N ATOM 1461 NH2 ARG A 94 7.219 6.709 -10.711 1.00 0.00 N ATOM 0 H ARG A 94 9.311 -0.472 -8.257 1.00 0.00 H new ATOM 0 HA ARG A 94 7.757 1.038 -10.271 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.756 2.518 -8.685 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.262 1.622 -8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 94 10.591 3.667 -9.916 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.684 2.316 -11.028 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.268 3.680 -12.231 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.075 2.780 -11.316 1.00 0.00 H new ATOM 0 HE ARG A 94 8.657 4.958 -9.684 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.588 4.493 -13.017 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.684 6.010 -13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.492 6.904 -9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.629 7.369 -11.218 1.00 0.00 H new ATOM 1475 N GLY A 95 9.307 0.594 -12.225 1.00 0.00 N ATOM 1476 CA GLY A 95 10.030 0.082 -13.374 1.00 0.00 C ATOM 1477 C GLY A 95 11.453 0.600 -13.443 1.00 0.00 C ATOM 1478 O GLY A 95 12.388 -0.163 -13.686 1.00 0.00 O ATOM 0 H GLY A 95 8.629 1.326 -12.437 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.045 -1.007 -13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.501 0.360 -14.285 1.00 0.00 H new ATOM 1482 N THR A 96 11.618 1.902 -13.229 1.00 0.00 N ATOM 1483 CA THR A 96 12.937 2.521 -13.270 1.00 0.00 C ATOM 1484 C THR A 96 13.784 1.937 -14.395 1.00 0.00 C ATOM 1485 O THR A 96 15.012 1.962 -14.337 1.00 0.00 O ATOM 1486 CB THR A 96 13.683 2.343 -11.935 1.00 0.00 C ATOM 1487 OG1 THR A 96 14.834 3.194 -11.900 1.00 0.00 O ATOM 1488 CG2 THR A 96 14.110 0.896 -11.742 1.00 0.00 C ATOM 0 H THR A 96 10.855 2.548 -13.026 1.00 0.00 H new ATOM 0 HA THR A 96 12.781 3.584 -13.451 1.00 0.00 H new ATOM 0 HB THR A 96 13.005 2.616 -11.126 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.349 3.081 -12.726 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.635 0.795 -10.792 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.229 0.254 -11.740 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.772 0.600 -12.556 1.00 0.00 H new ATOM 1496 N GLY A 97 13.119 1.411 -15.419 1.00 0.00 N ATOM 1497 CA GLY A 97 13.827 0.828 -16.543 1.00 0.00 C ATOM 1498 C GLY A 97 14.741 1.823 -17.231 1.00 0.00 C ATOM 1499 O GLY A 97 14.314 2.554 -18.124 1.00 0.00 O ATOM 0 H GLY A 97 12.102 1.378 -15.490 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.415 -0.022 -16.197 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.105 0.444 -17.264 1.00 0.00 H new ATOM 1503 N SER A 98 16.003 1.851 -16.814 1.00 0.00 N ATOM 1504 CA SER A 98 16.979 2.768 -17.392 1.00 0.00 C ATOM 1505 C SER A 98 16.768 2.907 -18.896 1.00 0.00 C ATOM 1506 O SER A 98 16.250 2.002 -19.549 1.00 0.00 O ATOM 1507 CB SER A 98 18.400 2.278 -17.108 1.00 0.00 C ATOM 1508 OG SER A 98 19.341 3.326 -17.265 1.00 0.00 O ATOM 0 H SER A 98 16.374 1.249 -16.078 1.00 0.00 H new ATOM 0 HA SER A 98 16.841 3.746 -16.931 1.00 0.00 H new ATOM 0 HB2 SER A 98 18.456 1.883 -16.093 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.647 1.459 -17.783 1.00 0.00 H new ATOM 0 HG SER A 98 20.241 2.988 -17.076 1.00 0.00 H new ATOM 1514 N GLY A 99 17.173 4.051 -19.441 1.00 0.00 N ATOM 1515 CA GLY A 99 17.020 4.290 -20.864 1.00 0.00 C ATOM 1516 C GLY A 99 17.872 5.444 -21.353 1.00 0.00 C ATOM 1517 O GLY A 99 18.117 6.412 -20.632 1.00 0.00 O ATOM 0 H GLY A 99 17.604 4.816 -18.922 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.288 3.387 -21.412 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.973 4.497 -21.084 1.00 0.00 H new ATOM 1521 N PRO A 100 18.340 5.350 -22.606 1.00 0.00 N ATOM 1522 CA PRO A 100 19.178 6.385 -23.218 1.00 0.00 C ATOM 1523 C PRO A 100 18.402 7.667 -23.500 1.00 0.00 C ATOM 1524 O PRO A 100 18.932 8.607 -24.092 1.00 0.00 O ATOM 1525 CB PRO A 100 19.639 5.740 -24.528 1.00 0.00 C ATOM 1526 CG PRO A 100 18.587 4.735 -24.846 1.00 0.00 C ATOM 1527 CD PRO A 100 18.087 4.225 -23.523 1.00 0.00 C ATOM 0 HA PRO A 100 19.996 6.686 -22.564 1.00 0.00 H new ATOM 0 HB2 PRO A 100 19.732 6.480 -25.322 1.00 0.00 H new ATOM 0 HB3 PRO A 100 20.615 5.269 -24.415 1.00 0.00 H new ATOM 0 HG2 PRO A 100 17.778 5.186 -25.421 1.00 0.00 H new ATOM 0 HG3 PRO A 100 18.993 3.923 -25.449 1.00 0.00 H new ATOM 0 HD2 PRO A 100 17.028 3.971 -23.565 1.00 0.00 H new ATOM 0 HD3 PRO A 100 18.619 3.326 -23.212 1.00 0.00 H new ATOM 1535 N SER A 101 17.144 7.698 -23.073 1.00 0.00 N ATOM 1536 CA SER A 101 16.294 8.864 -23.283 1.00 0.00 C ATOM 1537 C SER A 101 16.507 9.898 -22.181 1.00 0.00 C ATOM 1538 O SER A 101 15.578 10.602 -21.787 1.00 0.00 O ATOM 1539 CB SER A 101 14.822 8.447 -23.328 1.00 0.00 C ATOM 1540 OG SER A 101 14.393 7.956 -22.070 1.00 0.00 O ATOM 0 H SER A 101 16.691 6.929 -22.579 1.00 0.00 H new ATOM 0 HA SER A 101 16.567 9.314 -24.237 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.208 9.300 -23.618 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.681 7.679 -24.089 1.00 0.00 H new ATOM 0 HG SER A 101 13.449 7.698 -22.124 1.00 0.00 H new ATOM 1546 N SER A 102 17.739 9.982 -21.689 1.00 0.00 N ATOM 1547 CA SER A 102 18.076 10.927 -20.630 1.00 0.00 C ATOM 1548 C SER A 102 17.597 12.332 -20.983 1.00 0.00 C ATOM 1549 O SER A 102 16.971 13.009 -20.169 1.00 0.00 O ATOM 1550 CB SER A 102 19.586 10.936 -20.387 1.00 0.00 C ATOM 1551 OG SER A 102 19.928 11.821 -19.334 1.00 0.00 O ATOM 0 H SER A 102 18.520 9.408 -22.006 1.00 0.00 H new ATOM 0 HA SER A 102 17.571 10.608 -19.718 1.00 0.00 H new ATOM 0 HB2 SER A 102 19.924 9.929 -20.144 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.103 11.234 -21.299 1.00 0.00 H new ATOM 0 HG SER A 102 20.898 11.807 -19.197 1.00 0.00 H new ATOM 1557 N GLY A 103 17.898 12.763 -22.204 1.00 0.00 N ATOM 1558 CA GLY A 103 17.492 14.085 -22.644 1.00 0.00 C ATOM 1559 C GLY A 103 16.240 14.052 -23.498 1.00 0.00 C ATOM 1560 O GLY A 103 16.310 14.187 -24.720 1.00 0.00 O ATOM 0 H GLY A 103 18.415 12.221 -22.896 1.00 0.00 H new ATOM 0 HA2 GLY A 103 17.318 14.717 -21.773 1.00 0.00 H new ATOM 0 HA3 GLY A 103 18.303 14.541 -23.211 1.00 0.00 H new TER 1564 GLY A 103