USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 667 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 14 THR OG1 : rot 80:sc= -1.8 USER MOD Set 1.2: A 18 GLN : amide:sc= -0.516 K(o=-2.3,f=-3) 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 13:sc= 0.218 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 MET CE :methyl 180:sc=-0.000445 (180deg=-0.000445) USER MOD Single : A 29 ASN : amide:sc= -5.23! C(o=-5.2!,f=-20!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= -1.79 (180deg=-2.33) USER MOD Single : A 36 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.26) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.459 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -4.89! C(o=-4.9!,f=-14!) USER MOD Single : A 52 TYR OH : rot 130:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -2.19 K(o=-2.2,f=-5.7!) USER MOD Single : A 58 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.15) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.1!) USER MOD Single : A 66 TYR OH : rot 100:sc= -0.252 USER MOD Single : A 67 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0599 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.654 -13.048 -8.934 1.00 0.00 N ATOM 2 CA GLY A 1 -2.345 -13.676 -8.890 1.00 0.00 C ATOM 3 C GLY A 1 -2.364 -14.922 -8.003 1.00 0.00 C ATOM 4 O GLY A 1 -2.589 -16.031 -8.487 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.614 -12.205 -9.542 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.349 -13.720 -9.318 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.937 -12.769 -7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.034 -13.948 -9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.610 -12.966 -8.511 1.00 0.00 H new ATOM 8 N SER A 2 -2.125 -14.699 -6.719 1.00 0.00 N ATOM 9 CA SER A 2 -2.112 -15.789 -5.759 1.00 0.00 C ATOM 10 C SER A 2 -1.350 -16.985 -6.335 1.00 0.00 C ATOM 11 O SER A 2 -1.942 -17.853 -6.974 1.00 0.00 O ATOM 12 CB SER A 2 -3.534 -16.202 -5.374 1.00 0.00 C ATOM 13 OG SER A 2 -3.567 -17.476 -4.737 1.00 0.00 O ATOM 0 H SER A 2 -1.939 -13.778 -6.321 1.00 0.00 H new ATOM 0 HA SER A 2 -1.606 -15.444 -4.857 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.961 -15.453 -4.708 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.158 -16.227 -6.267 1.00 0.00 H new ATOM 0 HG SER A 2 -4.492 -17.702 -4.506 1.00 0.00 H new ATOM 19 N SER A 3 -0.049 -16.991 -6.088 1.00 0.00 N ATOM 20 CA SER A 3 0.800 -18.065 -6.575 1.00 0.00 C ATOM 21 C SER A 3 2.138 -18.052 -5.833 1.00 0.00 C ATOM 22 O SER A 3 2.599 -16.999 -5.395 1.00 0.00 O ATOM 23 CB SER A 3 1.028 -17.947 -8.083 1.00 0.00 C ATOM 24 OG SER A 3 1.579 -16.683 -8.442 1.00 0.00 O ATOM 0 H SER A 3 0.438 -16.269 -5.557 1.00 0.00 H new ATOM 0 HA SER A 3 0.295 -19.012 -6.385 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.698 -18.741 -8.412 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.082 -18.092 -8.605 1.00 0.00 H new ATOM 0 HG SER A 3 1.711 -16.648 -9.412 1.00 0.00 H new ATOM 30 N GLY A 4 2.725 -19.234 -5.715 1.00 0.00 N ATOM 31 CA GLY A 4 4.001 -19.371 -5.033 1.00 0.00 C ATOM 32 C GLY A 4 5.108 -19.762 -6.015 1.00 0.00 C ATOM 33 O GLY A 4 5.163 -20.903 -6.472 1.00 0.00 O ATOM 0 H GLY A 4 2.341 -20.105 -6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.259 -18.432 -4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.920 -20.126 -4.251 1.00 0.00 H new ATOM 37 N SER A 5 5.961 -18.793 -6.312 1.00 0.00 N ATOM 38 CA SER A 5 7.063 -19.021 -7.231 1.00 0.00 C ATOM 39 C SER A 5 7.929 -17.764 -7.332 1.00 0.00 C ATOM 40 O SER A 5 9.124 -17.804 -7.039 1.00 0.00 O ATOM 41 CB SER A 5 6.551 -19.425 -8.615 1.00 0.00 C ATOM 42 OG SER A 5 7.616 -19.630 -9.539 1.00 0.00 O ATOM 0 H SER A 5 5.911 -17.848 -5.932 1.00 0.00 H new ATOM 0 HA SER A 5 7.668 -19.841 -6.843 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.963 -20.339 -8.531 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.885 -18.651 -8.995 1.00 0.00 H new ATOM 0 HG SER A 5 7.248 -19.888 -10.410 1.00 0.00 H new ATOM 48 N SER A 6 7.294 -16.678 -7.746 1.00 0.00 N ATOM 49 CA SER A 6 7.992 -15.412 -7.889 1.00 0.00 C ATOM 50 C SER A 6 7.029 -14.251 -7.632 1.00 0.00 C ATOM 51 O SER A 6 5.812 -14.433 -7.655 1.00 0.00 O ATOM 52 CB SER A 6 8.620 -15.282 -9.278 1.00 0.00 C ATOM 53 OG SER A 6 9.823 -16.038 -9.393 1.00 0.00 O ATOM 0 H SER A 6 6.303 -16.648 -7.987 1.00 0.00 H new ATOM 0 HA SER A 6 8.795 -15.380 -7.153 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.907 -15.618 -10.031 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.830 -14.233 -9.484 1.00 0.00 H new ATOM 0 HG SER A 6 9.899 -16.649 -8.631 1.00 0.00 H new ATOM 59 N GLY A 7 7.609 -13.084 -7.393 1.00 0.00 N ATOM 60 CA GLY A 7 6.817 -11.894 -7.131 1.00 0.00 C ATOM 61 C GLY A 7 7.435 -11.060 -6.008 1.00 0.00 C ATOM 62 O GLY A 7 8.236 -11.566 -5.223 1.00 0.00 O ATOM 0 H GLY A 7 8.618 -12.937 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.746 -11.293 -8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.801 -12.181 -6.859 1.00 0.00 H new ATOM 66 N LEU A 8 7.041 -9.796 -5.967 1.00 0.00 N ATOM 67 CA LEU A 8 7.546 -8.886 -4.953 1.00 0.00 C ATOM 68 C LEU A 8 6.553 -8.823 -3.791 1.00 0.00 C ATOM 69 O LEU A 8 5.347 -8.719 -4.006 1.00 0.00 O ATOM 70 CB LEU A 8 7.863 -7.521 -5.567 1.00 0.00 C ATOM 71 CG LEU A 8 8.400 -6.461 -4.604 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.681 -5.825 -5.147 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.330 -5.414 -4.289 1.00 0.00 C ATOM 0 H LEU A 8 6.377 -9.380 -6.620 1.00 0.00 H new ATOM 0 HA LEU A 8 8.489 -9.253 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.594 -7.664 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.956 -7.135 -6.032 1.00 0.00 H new ATOM 0 HG LEU A 8 8.657 -6.952 -3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.042 -5.075 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.442 -6.594 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.474 -5.352 -6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.738 -4.672 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.019 -4.923 -5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.470 -5.900 -3.829 1.00 0.00 H new ATOM 85 N GLU A 9 7.098 -8.887 -2.585 1.00 0.00 N ATOM 86 CA GLU A 9 6.275 -8.838 -1.388 1.00 0.00 C ATOM 87 C GLU A 9 6.129 -7.394 -0.903 1.00 0.00 C ATOM 88 O GLU A 9 7.064 -6.602 -1.011 1.00 0.00 O ATOM 89 CB GLU A 9 6.852 -9.731 -0.288 1.00 0.00 C ATOM 90 CG GLU A 9 5.893 -9.827 0.900 1.00 0.00 C ATOM 91 CD GLU A 9 6.315 -10.945 1.856 1.00 0.00 C ATOM 92 OE1 GLU A 9 7.245 -10.691 2.651 1.00 0.00 O ATOM 93 OE2 GLU A 9 5.697 -12.028 1.769 1.00 0.00 O ATOM 0 H GLU A 9 8.099 -8.972 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 9 5.284 -9.219 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.044 -10.727 -0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.810 -9.331 0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.872 -8.876 1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.881 -10.013 0.541 1.00 0.00 H new ATOM 100 N VAL A 10 4.950 -7.096 -0.379 1.00 0.00 N ATOM 101 CA VAL A 10 4.670 -5.761 0.124 1.00 0.00 C ATOM 102 C VAL A 10 3.766 -5.863 1.354 1.00 0.00 C ATOM 103 O VAL A 10 2.718 -6.504 1.307 1.00 0.00 O ATOM 104 CB VAL A 10 4.070 -4.899 -0.989 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.807 -3.474 -0.496 1.00 0.00 C ATOM 106 CG2 VAL A 10 4.972 -4.893 -2.225 1.00 0.00 C ATOM 0 H VAL A 10 4.177 -7.756 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 10 5.591 -5.270 0.438 1.00 0.00 H new ATOM 0 HB VAL A 10 3.114 -5.338 -1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.381 -2.882 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.108 -3.501 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.744 -3.023 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.522 -4.273 -3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.950 -4.490 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.088 -5.911 -2.596 1.00 0.00 H new ATOM 116 N LEU A 11 4.206 -5.221 2.426 1.00 0.00 N ATOM 117 CA LEU A 11 3.450 -5.231 3.667 1.00 0.00 C ATOM 118 C LEU A 11 2.807 -3.859 3.879 1.00 0.00 C ATOM 119 O LEU A 11 3.275 -2.860 3.335 1.00 0.00 O ATOM 120 CB LEU A 11 4.336 -5.681 4.831 1.00 0.00 C ATOM 121 CG LEU A 11 4.785 -7.144 4.805 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.759 -7.398 3.652 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.373 -7.560 6.154 1.00 0.00 C ATOM 0 H LEU A 11 5.076 -4.690 2.461 1.00 0.00 H new ATOM 0 HA LEU A 11 2.640 -5.958 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.224 -5.049 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.797 -5.503 5.762 1.00 0.00 H new ATOM 0 HG LEU A 11 3.909 -7.768 4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.063 -8.445 3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.271 -7.165 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.638 -6.765 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.684 -8.604 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.235 -6.934 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.619 -7.439 6.932 1.00 0.00 H new ATOM 135 N VAL A 12 1.744 -3.855 4.670 1.00 0.00 N ATOM 136 CA VAL A 12 1.032 -2.622 4.960 1.00 0.00 C ATOM 137 C VAL A 12 0.596 -2.623 6.427 1.00 0.00 C ATOM 138 O VAL A 12 0.028 -3.602 6.909 1.00 0.00 O ATOM 139 CB VAL A 12 -0.138 -2.452 3.989 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.135 -1.414 4.508 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.360 -2.085 2.590 1.00 0.00 C ATOM 0 H VAL A 12 1.359 -4.686 5.119 1.00 0.00 H new ATOM 0 HA VAL A 12 1.685 -1.761 4.815 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.657 -3.408 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.957 -1.312 3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.526 -1.736 5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.633 -0.453 4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.491 -1.970 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.915 -1.148 2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.012 -2.875 2.217 1.00 0.00 H new ATOM 151 N LYS A 13 0.879 -1.515 7.096 1.00 0.00 N ATOM 152 CA LYS A 13 0.524 -1.375 8.498 1.00 0.00 C ATOM 153 C LYS A 13 -0.494 -0.243 8.651 1.00 0.00 C ATOM 154 O LYS A 13 -0.197 0.909 8.340 1.00 0.00 O ATOM 155 CB LYS A 13 1.779 -1.194 9.353 1.00 0.00 C ATOM 156 CG LYS A 13 1.424 -1.126 10.840 1.00 0.00 C ATOM 157 CD LYS A 13 2.686 -1.082 11.704 1.00 0.00 C ATOM 158 CE LYS A 13 2.435 -0.317 13.004 1.00 0.00 C ATOM 159 NZ LYS A 13 3.717 0.084 13.626 1.00 0.00 N ATOM 0 H LYS A 13 1.350 -0.705 6.693 1.00 0.00 H new ATOM 0 HA LYS A 13 0.047 -2.284 8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.466 -2.022 9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.297 -0.282 9.057 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.816 -0.242 11.032 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.822 -1.992 11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.010 -2.097 11.932 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.495 -0.607 11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.830 0.567 12.802 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.868 -0.940 13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.528 0.602 14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.281 -0.764 13.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.244 0.696 12.971 1.00 0.00 H new ATOM 173 N THR A 14 -1.673 -0.611 9.131 1.00 0.00 N ATOM 174 CA THR A 14 -2.736 0.359 9.330 1.00 0.00 C ATOM 175 C THR A 14 -2.706 0.897 10.762 1.00 0.00 C ATOM 176 O THR A 14 -2.097 0.293 11.643 1.00 0.00 O ATOM 177 CB THR A 14 -4.061 -0.309 8.959 1.00 0.00 C ATOM 178 OG1 THR A 14 -4.110 -1.467 9.787 1.00 0.00 O ATOM 179 CG2 THR A 14 -4.056 -0.869 7.535 1.00 0.00 C ATOM 0 H THR A 14 -1.915 -1.568 9.388 1.00 0.00 H new ATOM 0 HA THR A 14 -2.603 1.229 8.687 1.00 0.00 H new ATOM 0 HB THR A 14 -4.872 0.412 9.063 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.401 -1.213 10.688 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.020 -1.332 7.323 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.878 -0.060 6.826 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.266 -1.614 7.440 1.00 0.00 H new ATOM 187 N LEU A 15 -3.372 2.027 10.950 1.00 0.00 N ATOM 188 CA LEU A 15 -3.430 2.653 12.260 1.00 0.00 C ATOM 189 C LEU A 15 -4.298 1.803 13.189 1.00 0.00 C ATOM 190 O LEU A 15 -5.322 2.269 13.687 1.00 0.00 O ATOM 191 CB LEU A 15 -3.897 4.105 12.139 1.00 0.00 C ATOM 192 CG LEU A 15 -3.276 4.918 11.001 1.00 0.00 C ATOM 193 CD1 LEU A 15 -1.815 4.521 10.778 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.106 4.792 9.722 1.00 0.00 C ATOM 0 H LEU A 15 -3.876 2.525 10.217 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.436 2.698 12.705 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.980 4.108 12.012 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.685 4.613 13.080 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.284 5.970 11.288 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.397 5.113 9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.245 4.703 11.689 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.761 3.463 10.522 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.643 5.379 8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.152 3.746 9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.115 5.161 9.905 1.00 0.00 H new ATOM 206 N ASP A 16 -3.858 0.570 13.394 1.00 0.00 N ATOM 207 CA ASP A 16 -4.582 -0.350 14.254 1.00 0.00 C ATOM 208 C ASP A 16 -3.670 -1.521 14.624 1.00 0.00 C ATOM 209 O ASP A 16 -4.139 -2.643 14.809 1.00 0.00 O ATOM 210 CB ASP A 16 -5.814 -0.915 13.544 1.00 0.00 C ATOM 211 CG ASP A 16 -7.075 -0.056 13.654 1.00 0.00 C ATOM 212 OD1 ASP A 16 -7.129 0.754 14.604 1.00 0.00 O ATOM 213 OD2 ASP A 16 -7.957 -0.229 12.785 1.00 0.00 O ATOM 0 H ASP A 16 -3.009 0.187 12.979 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.898 0.197 15.142 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.576 -1.051 12.489 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.029 -1.903 13.952 1.00 0.00 H new ATOM 218 N SER A 17 -2.383 -1.220 14.720 1.00 0.00 N ATOM 219 CA SER A 17 -1.401 -2.234 15.064 1.00 0.00 C ATOM 220 C SER A 17 -1.741 -3.551 14.363 1.00 0.00 C ATOM 221 O SER A 17 -2.291 -4.463 14.978 1.00 0.00 O ATOM 222 CB SER A 17 -1.332 -2.443 16.579 1.00 0.00 C ATOM 223 OG SER A 17 -0.968 -1.248 17.266 1.00 0.00 O ATOM 0 H SER A 17 -1.998 -0.288 14.566 1.00 0.00 H new ATOM 0 HA SER A 17 -0.423 -1.891 14.726 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.300 -2.790 16.942 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.608 -3.226 16.805 1.00 0.00 H new ATOM 0 HG SER A 17 -0.936 -1.422 18.230 1.00 0.00 H new ATOM 229 N GLN A 18 -1.398 -3.608 13.084 1.00 0.00 N ATOM 230 CA GLN A 18 -1.660 -4.798 12.292 1.00 0.00 C ATOM 231 C GLN A 18 -0.878 -4.743 10.978 1.00 0.00 C ATOM 232 O GLN A 18 -1.099 -3.855 10.156 1.00 0.00 O ATOM 233 CB GLN A 18 -3.158 -4.965 12.032 1.00 0.00 C ATOM 234 CG GLN A 18 -3.684 -3.855 11.119 1.00 0.00 C ATOM 235 CD GLN A 18 -5.209 -3.761 11.192 1.00 0.00 C ATOM 236 OE1 GLN A 18 -5.802 -3.686 12.256 1.00 0.00 O ATOM 237 NE2 GLN A 18 -5.809 -3.768 10.005 1.00 0.00 N ATOM 0 H GLN A 18 -0.941 -2.850 12.577 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.324 -5.668 12.856 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.345 -5.936 11.574 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.699 -4.949 12.978 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.243 -2.901 11.409 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.377 -4.049 10.091 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.253 -3.833 9.153 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.826 -3.708 9.947 1.00 0.00 H new ATOM 246 N THR A 19 0.020 -5.704 10.820 1.00 0.00 N ATOM 247 CA THR A 19 0.836 -5.777 9.620 1.00 0.00 C ATOM 248 C THR A 19 0.385 -6.942 8.738 1.00 0.00 C ATOM 249 O THR A 19 0.092 -8.027 9.238 1.00 0.00 O ATOM 250 CB THR A 19 2.302 -5.872 10.050 1.00 0.00 C ATOM 251 OG1 THR A 19 2.514 -4.694 10.823 1.00 0.00 O ATOM 252 CG2 THR A 19 3.268 -5.725 8.873 1.00 0.00 C ATOM 0 H THR A 19 0.201 -6.439 11.504 1.00 0.00 H new ATOM 0 HA THR A 19 0.719 -4.883 9.007 1.00 0.00 H new ATOM 0 HB THR A 19 2.474 -6.829 10.543 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.440 -4.675 11.144 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.294 -5.800 9.233 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.080 -6.516 8.147 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.120 -4.754 8.400 1.00 0.00 H new ATOM 260 N ARG A 20 0.342 -6.678 7.440 1.00 0.00 N ATOM 261 CA ARG A 20 -0.069 -7.692 6.484 1.00 0.00 C ATOM 262 C ARG A 20 1.006 -7.876 5.411 1.00 0.00 C ATOM 263 O ARG A 20 1.939 -7.079 5.318 1.00 0.00 O ATOM 264 CB ARG A 20 -1.390 -7.312 5.812 1.00 0.00 C ATOM 265 CG ARG A 20 -2.547 -7.359 6.812 1.00 0.00 C ATOM 266 CD ARG A 20 -3.740 -6.543 6.309 1.00 0.00 C ATOM 267 NE ARG A 20 -4.770 -6.447 7.368 1.00 0.00 N ATOM 268 CZ ARG A 20 -6.038 -6.072 7.151 1.00 0.00 C ATOM 269 NH1 ARG A 20 -6.440 -5.755 5.913 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.903 -6.014 8.172 1.00 0.00 N ATOM 0 H ARG A 20 0.585 -5.777 7.028 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.207 -8.626 7.029 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.312 -6.311 5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.591 -7.994 4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.851 -8.393 6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.216 -6.970 7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.412 -5.545 6.018 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.163 -7.011 5.420 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.497 -6.681 8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.781 -5.799 5.136 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.405 -5.470 5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.596 -6.255 9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.868 -5.729 8.007 1.00 0.00 H new ATOM 284 N THR A 21 0.841 -8.931 4.627 1.00 0.00 N ATOM 285 CA THR A 21 1.785 -9.230 3.564 1.00 0.00 C ATOM 286 C THR A 21 1.049 -9.437 2.239 1.00 0.00 C ATOM 287 O THR A 21 0.071 -10.180 2.177 1.00 0.00 O ATOM 288 CB THR A 21 2.613 -10.443 3.995 1.00 0.00 C ATOM 289 OG1 THR A 21 3.569 -9.905 4.905 1.00 0.00 O ATOM 290 CG2 THR A 21 3.461 -11.008 2.854 1.00 0.00 C ATOM 0 H THR A 21 0.067 -9.590 4.707 1.00 0.00 H new ATOM 0 HA THR A 21 2.466 -8.396 3.394 1.00 0.00 H new ATOM 0 HB THR A 21 1.949 -11.220 4.373 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.147 -10.624 5.235 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.028 -11.867 3.213 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.810 -11.319 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.149 -10.241 2.498 1.00 0.00 H new ATOM 298 N PHE A 22 1.548 -8.765 1.212 1.00 0.00 N ATOM 299 CA PHE A 22 0.950 -8.865 -0.109 1.00 0.00 C ATOM 300 C PHE A 22 2.006 -9.195 -1.166 1.00 0.00 C ATOM 301 O PHE A 22 3.118 -8.671 -1.121 1.00 0.00 O ATOM 302 CB PHE A 22 0.336 -7.500 -0.427 1.00 0.00 C ATOM 303 CG PHE A 22 -0.901 -7.164 0.409 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.995 -7.970 0.360 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.906 -6.059 1.202 1.00 0.00 C ATOM 306 CE1 PHE A 22 -3.142 -7.659 1.136 1.00 0.00 C ATOM 307 CE2 PHE A 22 -2.054 -5.747 1.978 1.00 0.00 C ATOM 308 CZ PHE A 22 -3.148 -6.553 1.928 1.00 0.00 C ATOM 0 H PHE A 22 2.359 -8.149 1.268 1.00 0.00 H new ATOM 0 HA PHE A 22 0.204 -9.659 -0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.089 -6.728 -0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.067 -7.471 -1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.991 -8.847 -0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.037 -5.419 1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.010 -8.300 1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.058 -4.870 2.608 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.021 -6.315 2.517 1.00 0.00 H new ATOM 318 N ILE A 23 1.621 -10.061 -2.091 1.00 0.00 N ATOM 319 CA ILE A 23 2.521 -10.466 -3.158 1.00 0.00 C ATOM 320 C ILE A 23 1.992 -9.939 -4.493 1.00 0.00 C ATOM 321 O ILE A 23 1.034 -10.480 -5.043 1.00 0.00 O ATOM 322 CB ILE A 23 2.730 -11.981 -3.134 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.357 -12.428 -1.812 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.551 -12.440 -4.341 1.00 0.00 C ATOM 325 CD1 ILE A 23 4.867 -12.183 -1.810 1.00 0.00 C ATOM 0 H ILE A 23 0.698 -10.494 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 23 3.508 -10.028 -3.011 1.00 0.00 H new ATOM 0 HB ILE A 23 1.754 -12.461 -3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.896 -11.887 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.157 -13.487 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.685 -13.521 -4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.028 -12.174 -5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.526 -11.953 -4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.287 -12.510 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.328 -12.745 -2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.063 -11.120 -1.947 1.00 0.00 H new ATOM 337 N VAL A 24 2.640 -8.889 -4.977 1.00 0.00 N ATOM 338 CA VAL A 24 2.247 -8.283 -6.237 1.00 0.00 C ATOM 339 C VAL A 24 3.467 -8.195 -7.157 1.00 0.00 C ATOM 340 O VAL A 24 4.603 -8.312 -6.701 1.00 0.00 O ATOM 341 CB VAL A 24 1.591 -6.924 -5.983 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.287 -7.084 -5.199 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.552 -5.978 -5.261 1.00 0.00 C ATOM 0 H VAL A 24 3.435 -8.443 -4.519 1.00 0.00 H new ATOM 0 HA VAL A 24 1.502 -8.899 -6.741 1.00 0.00 H new ATOM 0 HB VAL A 24 1.349 -6.482 -6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.159 -6.104 -5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.405 -7.706 -5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.495 -7.557 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.061 -5.019 -5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.839 -6.412 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.442 -5.827 -5.872 1.00 0.00 H new ATOM 353 N GLY A 25 3.189 -7.989 -8.437 1.00 0.00 N ATOM 354 CA GLY A 25 4.249 -7.884 -9.425 1.00 0.00 C ATOM 355 C GLY A 25 5.015 -6.568 -9.270 1.00 0.00 C ATOM 356 O GLY A 25 4.422 -5.491 -9.321 1.00 0.00 O ATOM 0 H GLY A 25 2.245 -7.892 -8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.936 -8.724 -9.317 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.824 -7.946 -10.427 1.00 0.00 H new ATOM 360 N ALA A 26 6.320 -6.699 -9.083 1.00 0.00 N ATOM 361 CA ALA A 26 7.173 -5.533 -8.920 1.00 0.00 C ATOM 362 C ALA A 26 6.774 -4.468 -9.943 1.00 0.00 C ATOM 363 O ALA A 26 6.725 -3.281 -9.621 1.00 0.00 O ATOM 364 CB ALA A 26 8.639 -5.950 -9.054 1.00 0.00 C ATOM 0 H ALA A 26 6.808 -7.594 -9.041 1.00 0.00 H new ATOM 0 HA ALA A 26 7.047 -5.101 -7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.279 -5.076 -8.932 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.880 -6.686 -8.287 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.805 -6.386 -10.039 1.00 0.00 H new ATOM 370 N GLN A 27 6.498 -4.929 -11.153 1.00 0.00 N ATOM 371 CA GLN A 27 6.104 -4.030 -12.225 1.00 0.00 C ATOM 372 C GLN A 27 4.892 -3.198 -11.802 1.00 0.00 C ATOM 373 O GLN A 27 4.837 -1.998 -12.063 1.00 0.00 O ATOM 374 CB GLN A 27 5.815 -4.805 -13.512 1.00 0.00 C ATOM 375 CG GLN A 27 7.113 -5.179 -14.231 1.00 0.00 C ATOM 376 CD GLN A 27 6.833 -6.077 -15.437 1.00 0.00 C ATOM 377 OE1 GLN A 27 6.394 -5.633 -16.485 1.00 0.00 O ATOM 378 NE2 GLN A 27 7.111 -7.361 -15.232 1.00 0.00 N ATOM 0 H GLN A 27 6.539 -5.914 -11.416 1.00 0.00 H new ATOM 0 HA GLN A 27 6.933 -3.352 -12.427 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.252 -5.708 -13.278 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.191 -4.202 -14.171 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.625 -4.274 -14.558 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.781 -5.691 -13.539 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.477 -7.666 -14.330 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.959 -8.041 -15.977 1.00 0.00 H new ATOM 387 N MET A 28 3.950 -3.869 -11.155 1.00 0.00 N ATOM 388 CA MET A 28 2.743 -3.207 -10.693 1.00 0.00 C ATOM 389 C MET A 28 3.047 -1.790 -10.204 1.00 0.00 C ATOM 390 O MET A 28 4.112 -1.538 -9.642 1.00 0.00 O ATOM 391 CB MET A 28 2.119 -4.017 -9.555 1.00 0.00 C ATOM 392 CG MET A 28 0.831 -3.360 -9.056 1.00 0.00 C ATOM 393 SD MET A 28 0.139 -4.314 -7.715 1.00 0.00 S ATOM 394 CE MET A 28 -0.765 -5.542 -8.643 1.00 0.00 C ATOM 0 H MET A 28 3.999 -4.865 -10.940 1.00 0.00 H new ATOM 0 HA MET A 28 2.046 -3.141 -11.528 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.905 -5.029 -9.899 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.830 -4.103 -8.733 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.038 -2.343 -8.721 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.111 -3.287 -9.871 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.262 -6.225 -7.954 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.511 -5.050 -9.267 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.075 -6.102 -9.275 1.00 0.00 H new ATOM 404 N ASN A 29 2.093 -0.900 -10.436 1.00 0.00 N ATOM 405 CA ASN A 29 2.246 0.486 -10.027 1.00 0.00 C ATOM 406 C ASN A 29 1.502 0.708 -8.708 1.00 0.00 C ATOM 407 O ASN A 29 0.578 -0.034 -8.380 1.00 0.00 O ATOM 408 CB ASN A 29 1.655 1.437 -11.069 1.00 0.00 C ATOM 409 CG ASN A 29 0.301 0.930 -11.569 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.097 -0.251 -11.799 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.611 1.885 -11.724 1.00 0.00 N ATOM 0 H ASN A 29 1.211 -1.112 -10.902 1.00 0.00 H new ATOM 0 HA ASN A 29 3.311 0.690 -9.917 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.538 2.430 -10.635 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.343 1.535 -11.909 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.547 1.648 -12.053 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.375 2.855 -11.513 1.00 0.00 H new ATOM 418 N VAL A 30 1.933 1.734 -7.988 1.00 0.00 N ATOM 419 CA VAL A 30 1.319 2.063 -6.713 1.00 0.00 C ATOM 420 C VAL A 30 -0.203 2.018 -6.858 1.00 0.00 C ATOM 421 O VAL A 30 -0.882 1.329 -6.099 1.00 0.00 O ATOM 422 CB VAL A 30 1.833 3.417 -6.219 1.00 0.00 C ATOM 423 CG1 VAL A 30 1.060 3.879 -4.983 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.336 3.363 -5.938 1.00 0.00 C ATOM 0 H VAL A 30 2.700 2.348 -8.263 1.00 0.00 H new ATOM 0 HA VAL A 30 1.595 1.329 -5.955 1.00 0.00 H new ATOM 0 HB VAL A 30 1.666 4.148 -7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.445 4.844 -4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.003 3.976 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.180 3.147 -4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.676 4.338 -5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.536 2.613 -5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.868 3.100 -6.852 1.00 0.00 H new ATOM 434 N LYS A 31 -0.694 2.763 -7.838 1.00 0.00 N ATOM 435 CA LYS A 31 -2.124 2.817 -8.092 1.00 0.00 C ATOM 436 C LYS A 31 -2.696 1.398 -8.065 1.00 0.00 C ATOM 437 O LYS A 31 -3.544 1.082 -7.232 1.00 0.00 O ATOM 438 CB LYS A 31 -2.409 3.571 -9.392 1.00 0.00 C ATOM 439 CG LYS A 31 -3.878 3.429 -9.797 1.00 0.00 C ATOM 440 CD LYS A 31 -4.545 4.800 -9.929 1.00 0.00 C ATOM 441 CE LYS A 31 -5.698 4.754 -10.933 1.00 0.00 C ATOM 442 NZ LYS A 31 -6.854 5.530 -10.431 1.00 0.00 N ATOM 0 H LYS A 31 -0.127 3.334 -8.465 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.630 3.380 -7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.163 4.625 -9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.770 3.187 -10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.948 2.894 -10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.408 2.833 -9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.917 5.122 -8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.809 5.537 -10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.370 5.158 -11.891 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.995 3.720 -11.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.628 5.488 -11.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.177 5.127 -9.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.571 6.520 -10.287 1.00 0.00 H new ATOM 456 N GLU A 32 -2.210 0.581 -8.988 1.00 0.00 N ATOM 457 CA GLU A 32 -2.662 -0.797 -9.081 1.00 0.00 C ATOM 458 C GLU A 32 -2.683 -1.443 -7.694 1.00 0.00 C ATOM 459 O GLU A 32 -3.722 -1.928 -7.247 1.00 0.00 O ATOM 460 CB GLU A 32 -1.786 -1.598 -10.046 1.00 0.00 C ATOM 461 CG GLU A 32 -2.295 -1.470 -11.483 1.00 0.00 C ATOM 462 CD GLU A 32 -1.633 -2.506 -12.394 1.00 0.00 C ATOM 463 OE1 GLU A 32 -1.878 -3.709 -12.157 1.00 0.00 O ATOM 464 OE2 GLU A 32 -0.896 -2.072 -13.305 1.00 0.00 O ATOM 0 H GLU A 32 -1.508 0.847 -9.678 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.677 -0.800 -9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.757 -1.244 -9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.779 -2.647 -9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.377 -1.602 -11.502 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.089 -0.467 -11.857 1.00 0.00 H new ATOM 471 N PHE A 33 -1.524 -1.429 -7.052 1.00 0.00 N ATOM 472 CA PHE A 33 -1.397 -2.008 -5.726 1.00 0.00 C ATOM 473 C PHE A 33 -2.567 -1.594 -4.832 1.00 0.00 C ATOM 474 O PHE A 33 -3.130 -2.422 -4.117 1.00 0.00 O ATOM 475 CB PHE A 33 -0.096 -1.470 -5.126 1.00 0.00 C ATOM 476 CG PHE A 33 0.320 -2.157 -3.824 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.741 -3.450 -3.842 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.270 -1.475 -2.649 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.127 -4.088 -2.633 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.656 -2.112 -1.440 1.00 0.00 C ATOM 481 CZ PHE A 33 1.076 -3.405 -1.458 1.00 0.00 C ATOM 0 H PHE A 33 -0.665 -1.026 -7.426 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.395 -3.096 -5.794 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.704 -1.585 -5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.208 -0.402 -4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.782 -3.992 -4.775 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.064 -0.448 -2.635 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.461 -5.115 -2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.616 -1.570 -0.507 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.369 -3.890 -0.539 1.00 0.00 H new ATOM 491 N LYS A 34 -2.898 -0.313 -4.900 1.00 0.00 N ATOM 492 CA LYS A 34 -3.990 0.222 -4.106 1.00 0.00 C ATOM 493 C LYS A 34 -5.277 -0.536 -4.441 1.00 0.00 C ATOM 494 O LYS A 34 -6.031 -0.913 -3.545 1.00 0.00 O ATOM 495 CB LYS A 34 -4.101 1.736 -4.297 1.00 0.00 C ATOM 496 CG LYS A 34 -2.845 2.446 -3.787 1.00 0.00 C ATOM 497 CD LYS A 34 -3.054 3.961 -3.736 1.00 0.00 C ATOM 498 CE LYS A 34 -1.719 4.693 -3.587 1.00 0.00 C ATOM 499 NZ LYS A 34 -1.775 5.647 -2.457 1.00 0.00 N ATOM 0 H LYS A 34 -2.428 0.371 -5.494 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.797 0.072 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.248 1.963 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.976 2.110 -3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.592 2.077 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.002 2.213 -4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.556 4.293 -4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.707 4.214 -2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.918 3.972 -3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.484 5.225 -4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.811 5.945 -2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.334 6.479 -2.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.220 5.188 -1.637 1.00 0.00 H new ATOM 513 N GLU A 35 -5.488 -0.736 -5.734 1.00 0.00 N ATOM 514 CA GLU A 35 -6.670 -1.442 -6.198 1.00 0.00 C ATOM 515 C GLU A 35 -6.600 -2.917 -5.797 1.00 0.00 C ATOM 516 O GLU A 35 -7.627 -3.544 -5.542 1.00 0.00 O ATOM 517 CB GLU A 35 -6.838 -1.293 -7.712 1.00 0.00 C ATOM 518 CG GLU A 35 -6.994 0.178 -8.104 1.00 0.00 C ATOM 519 CD GLU A 35 -7.604 0.311 -9.500 1.00 0.00 C ATOM 520 OE1 GLU A 35 -8.851 0.364 -9.572 1.00 0.00 O ATOM 521 OE2 GLU A 35 -6.810 0.358 -10.465 1.00 0.00 O ATOM 0 H GLU A 35 -4.861 -0.422 -6.474 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.544 -0.998 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.974 -1.719 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.711 -1.856 -8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.627 0.687 -7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.022 0.670 -8.080 1.00 0.00 H new ATOM 528 N HIS A 36 -5.378 -3.428 -5.754 1.00 0.00 N ATOM 529 CA HIS A 36 -5.160 -4.817 -5.388 1.00 0.00 C ATOM 530 C HIS A 36 -5.512 -5.020 -3.913 1.00 0.00 C ATOM 531 O HIS A 36 -6.356 -5.852 -3.581 1.00 0.00 O ATOM 532 CB HIS A 36 -3.731 -5.249 -5.721 1.00 0.00 C ATOM 533 CG HIS A 36 -3.458 -6.713 -5.473 1.00 0.00 C ATOM 534 ND1 HIS A 36 -3.941 -7.716 -6.295 1.00 0.00 N ATOM 535 CD2 HIS A 36 -2.747 -7.333 -4.487 1.00 0.00 C ATOM 536 CE1 HIS A 36 -3.534 -8.882 -5.816 1.00 0.00 C ATOM 537 NE2 HIS A 36 -2.795 -8.643 -4.695 1.00 0.00 N ATOM 0 H HIS A 36 -4.529 -2.905 -5.967 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.817 -5.459 -5.975 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.529 -5.025 -6.768 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.035 -4.655 -5.128 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.232 -6.841 -3.675 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.750 -9.852 -6.239 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.352 -9.354 -4.113 1.00 0.00 H new ATOM 545 N ILE A 37 -4.848 -4.247 -3.067 1.00 0.00 N ATOM 546 CA ILE A 37 -5.080 -4.332 -1.635 1.00 0.00 C ATOM 547 C ILE A 37 -6.477 -3.796 -1.316 1.00 0.00 C ATOM 548 O ILE A 37 -7.139 -4.284 -0.402 1.00 0.00 O ATOM 549 CB ILE A 37 -3.961 -3.624 -0.868 1.00 0.00 C ATOM 550 CG1 ILE A 37 -4.040 -2.108 -1.057 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.590 -4.180 -1.261 1.00 0.00 C ATOM 552 CD1 ILE A 37 -3.215 -1.379 0.006 1.00 0.00 C ATOM 0 H ILE A 37 -4.149 -3.558 -3.346 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.054 -5.371 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.097 -3.823 0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.677 -1.842 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.079 -1.785 -1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.812 -3.660 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.550 -5.245 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.430 -4.032 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.288 -0.303 -0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.596 -1.628 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.172 -1.686 -0.069 1.00 0.00 H new ATOM 564 N ALA A 38 -6.884 -2.800 -2.089 1.00 0.00 N ATOM 565 CA ALA A 38 -8.191 -2.193 -1.900 1.00 0.00 C ATOM 566 C ALA A 38 -9.219 -3.287 -1.603 1.00 0.00 C ATOM 567 O ALA A 38 -10.184 -3.056 -0.876 1.00 0.00 O ATOM 568 CB ALA A 38 -8.556 -1.371 -3.138 1.00 0.00 C ATOM 0 H ALA A 38 -6.332 -2.398 -2.847 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.178 -1.513 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.536 -0.916 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.811 -0.589 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.581 -2.021 -4.012 1.00 0.00 H new ATOM 574 N ALA A 39 -8.977 -4.454 -2.181 1.00 0.00 N ATOM 575 CA ALA A 39 -9.869 -5.585 -1.987 1.00 0.00 C ATOM 576 C ALA A 39 -9.791 -6.046 -0.531 1.00 0.00 C ATOM 577 O ALA A 39 -10.801 -6.071 0.171 1.00 0.00 O ATOM 578 CB ALA A 39 -9.505 -6.698 -2.972 1.00 0.00 C ATOM 0 H ALA A 39 -8.176 -4.641 -2.784 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.901 -5.298 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.174 -7.546 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.605 -6.328 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.476 -7.014 -2.800 1.00 0.00 H new ATOM 584 N SER A 40 -8.583 -6.401 -0.120 1.00 0.00 N ATOM 585 CA SER A 40 -8.360 -6.861 1.241 1.00 0.00 C ATOM 586 C SER A 40 -8.670 -5.736 2.230 1.00 0.00 C ATOM 587 O SER A 40 -9.585 -5.855 3.044 1.00 0.00 O ATOM 588 CB SER A 40 -6.923 -7.351 1.428 1.00 0.00 C ATOM 589 OG SER A 40 -6.795 -8.745 1.158 1.00 0.00 O ATOM 0 H SER A 40 -7.748 -6.380 -0.705 1.00 0.00 H new ATOM 0 HA SER A 40 -9.029 -7.700 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.260 -6.791 0.768 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.601 -7.148 2.449 1.00 0.00 H new ATOM 0 HG SER A 40 -5.863 -9.019 1.287 1.00 0.00 H new ATOM 595 N VAL A 41 -7.890 -4.670 2.129 1.00 0.00 N ATOM 596 CA VAL A 41 -8.070 -3.525 3.005 1.00 0.00 C ATOM 597 C VAL A 41 -9.530 -3.070 2.949 1.00 0.00 C ATOM 598 O VAL A 41 -10.061 -2.553 3.931 1.00 0.00 O ATOM 599 CB VAL A 41 -7.084 -2.418 2.629 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.639 -2.879 2.829 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.314 -1.944 1.192 1.00 0.00 C ATOM 0 H VAL A 41 -7.132 -4.575 1.454 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.854 -3.797 4.038 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.261 -1.572 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.959 -2.073 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.483 -3.145 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.444 -3.748 2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.600 -1.157 0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.178 -2.781 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.328 -1.556 1.095 1.00 0.00 H new ATOM 611 N SER A 42 -10.138 -3.279 1.791 1.00 0.00 N ATOM 612 CA SER A 42 -11.526 -2.897 1.594 1.00 0.00 C ATOM 613 C SER A 42 -11.637 -1.376 1.469 1.00 0.00 C ATOM 614 O SER A 42 -12.692 -0.804 1.736 1.00 0.00 O ATOM 615 CB SER A 42 -12.404 -3.402 2.741 1.00 0.00 C ATOM 616 OG SER A 42 -13.683 -3.833 2.284 1.00 0.00 O ATOM 0 H SER A 42 -9.695 -3.708 0.979 1.00 0.00 H new ATOM 0 HA SER A 42 -11.881 -3.357 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.902 -4.228 3.245 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.531 -2.608 3.477 1.00 0.00 H new ATOM 0 HG SER A 42 -14.213 -4.149 3.045 1.00 0.00 H new ATOM 622 N ILE A 43 -10.533 -0.765 1.064 1.00 0.00 N ATOM 623 CA ILE A 43 -10.494 0.678 0.901 1.00 0.00 C ATOM 624 C ILE A 43 -10.124 1.013 -0.545 1.00 0.00 C ATOM 625 O ILE A 43 -9.288 0.342 -1.148 1.00 0.00 O ATOM 626 CB ILE A 43 -9.561 1.309 1.936 1.00 0.00 C ATOM 627 CG1 ILE A 43 -10.008 0.965 3.359 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.444 2.819 1.721 1.00 0.00 C ATOM 629 CD1 ILE A 43 -8.870 1.182 4.359 1.00 0.00 C ATOM 0 H ILE A 43 -9.659 -1.243 0.844 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.477 1.109 1.088 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.565 0.887 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.862 1.583 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.339 -0.073 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.775 3.242 2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.045 3.015 0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.429 3.277 1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.214 0.930 5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.026 0.544 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.558 2.226 4.334 1.00 0.00 H new ATOM 641 N PRO A 44 -10.782 2.079 -1.074 1.00 0.00 N ATOM 642 CA PRO A 44 -10.531 2.512 -2.439 1.00 0.00 C ATOM 643 C PRO A 44 -9.191 3.243 -2.544 1.00 0.00 C ATOM 644 O PRO A 44 -8.805 3.973 -1.632 1.00 0.00 O ATOM 645 CB PRO A 44 -11.718 3.392 -2.797 1.00 0.00 C ATOM 646 CG PRO A 44 -12.351 3.796 -1.476 1.00 0.00 C ATOM 647 CD PRO A 44 -11.779 2.898 -0.391 1.00 0.00 C ATOM 0 HA PRO A 44 -10.446 1.679 -3.136 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.398 4.268 -3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.430 2.853 -3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.140 4.842 -1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.435 3.693 -1.525 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.329 3.483 0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.555 2.281 0.062 1.00 0.00 H new ATOM 655 N SER A 45 -8.520 3.022 -3.665 1.00 0.00 N ATOM 656 CA SER A 45 -7.231 3.651 -3.901 1.00 0.00 C ATOM 657 C SER A 45 -7.332 5.158 -3.659 1.00 0.00 C ATOM 658 O SER A 45 -6.579 5.715 -2.862 1.00 0.00 O ATOM 659 CB SER A 45 -6.735 3.373 -5.321 1.00 0.00 C ATOM 660 OG SER A 45 -7.460 4.119 -6.296 1.00 0.00 O ATOM 0 H SER A 45 -8.844 2.417 -4.419 1.00 0.00 H new ATOM 0 HA SER A 45 -6.510 3.226 -3.203 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.676 3.620 -5.390 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.829 2.308 -5.536 1.00 0.00 H new ATOM 0 HG SER A 45 -7.112 3.915 -7.189 1.00 0.00 H new ATOM 666 N GLU A 46 -8.269 5.777 -4.363 1.00 0.00 N ATOM 667 CA GLU A 46 -8.479 7.209 -4.235 1.00 0.00 C ATOM 668 C GLU A 46 -8.568 7.602 -2.759 1.00 0.00 C ATOM 669 O GLU A 46 -8.321 8.754 -2.404 1.00 0.00 O ATOM 670 CB GLU A 46 -9.730 7.650 -4.997 1.00 0.00 C ATOM 671 CG GLU A 46 -10.952 6.840 -4.560 1.00 0.00 C ATOM 672 CD GLU A 46 -12.067 6.923 -5.605 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.488 8.064 -5.896 1.00 0.00 O ATOM 674 OE2 GLU A 46 -12.474 5.845 -6.088 1.00 0.00 O ATOM 0 H GLU A 46 -8.891 5.312 -5.024 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.625 7.723 -4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.911 8.711 -4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.571 7.525 -6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.667 5.799 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.317 7.213 -3.603 1.00 0.00 H new ATOM 681 N LYS A 47 -8.921 6.624 -1.939 1.00 0.00 N ATOM 682 CA LYS A 47 -9.046 6.854 -0.510 1.00 0.00 C ATOM 683 C LYS A 47 -7.750 6.431 0.185 1.00 0.00 C ATOM 684 O LYS A 47 -7.398 6.972 1.232 1.00 0.00 O ATOM 685 CB LYS A 47 -10.293 6.157 0.038 1.00 0.00 C ATOM 686 CG LYS A 47 -11.556 6.957 -0.289 1.00 0.00 C ATOM 687 CD LYS A 47 -12.755 6.438 0.507 1.00 0.00 C ATOM 688 CE LYS A 47 -13.156 7.428 1.603 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.566 7.843 1.435 1.00 0.00 N ATOM 0 H LYS A 47 -9.125 5.670 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.187 7.915 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.371 5.157 -0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.203 6.038 1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.393 8.010 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.767 6.890 -1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.598 6.272 -0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.510 5.475 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.020 6.970 2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.506 8.303 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.822 8.515 2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.686 8.299 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.183 7.008 1.492 1.00 0.00 H new ATOM 703 N GLN A 48 -7.075 5.468 -0.426 1.00 0.00 N ATOM 704 CA GLN A 48 -5.826 4.967 0.121 1.00 0.00 C ATOM 705 C GLN A 48 -4.702 5.979 -0.107 1.00 0.00 C ATOM 706 O GLN A 48 -4.827 6.873 -0.943 1.00 0.00 O ATOM 707 CB GLN A 48 -5.470 3.607 -0.483 1.00 0.00 C ATOM 708 CG GLN A 48 -6.455 2.529 -0.026 1.00 0.00 C ATOM 709 CD GLN A 48 -5.943 1.132 -0.383 1.00 0.00 C ATOM 710 OE1 GLN A 48 -4.993 0.625 0.189 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.625 0.540 -1.360 1.00 0.00 N ATOM 0 H GLN A 48 -7.370 5.022 -1.295 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.952 4.830 1.195 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.479 3.675 -1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.458 3.328 -0.189 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.605 2.601 1.051 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.425 2.695 -0.494 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.411 1.021 -1.797 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.362 -0.395 -1.672 1.00 0.00 H new ATOM 720 N ARG A 49 -3.629 5.805 0.650 1.00 0.00 N ATOM 721 CA ARG A 49 -2.484 6.693 0.540 1.00 0.00 C ATOM 722 C ARG A 49 -1.272 6.086 1.251 1.00 0.00 C ATOM 723 O ARG A 49 -0.982 6.431 2.396 1.00 0.00 O ATOM 724 CB ARG A 49 -2.789 8.063 1.148 1.00 0.00 C ATOM 725 CG ARG A 49 -1.617 9.026 0.945 1.00 0.00 C ATOM 726 CD ARG A 49 -1.822 10.315 1.745 1.00 0.00 C ATOM 727 NE ARG A 49 -0.520 10.982 1.971 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.384 12.280 2.271 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.468 13.060 2.383 1.00 0.00 N ATOM 730 NH2 ARG A 49 0.837 12.800 2.459 1.00 0.00 N ATOM 0 H ARG A 49 -3.528 5.062 1.342 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.263 6.820 -0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.688 8.476 0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.995 7.955 2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.689 8.545 1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.516 9.263 -0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.494 10.984 1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.295 10.089 2.701 1.00 0.00 H new ATOM 0 HE ARG A 49 0.326 10.418 1.893 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.397 12.665 2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.364 14.049 2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.663 12.207 2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.941 13.789 2.687 1.00 0.00 H new ATOM 744 N LEU A 50 -0.597 5.193 0.542 1.00 0.00 N ATOM 745 CA LEU A 50 0.577 4.535 1.091 1.00 0.00 C ATOM 746 C LEU A 50 1.626 5.589 1.451 1.00 0.00 C ATOM 747 O LEU A 50 1.841 6.538 0.699 1.00 0.00 O ATOM 748 CB LEU A 50 1.089 3.462 0.128 1.00 0.00 C ATOM 749 CG LEU A 50 0.048 2.458 -0.372 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.621 1.587 -1.492 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.503 1.619 0.782 1.00 0.00 C ATOM 0 H LEU A 50 -0.840 4.910 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 50 0.323 4.010 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.531 3.958 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.889 2.910 0.622 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.789 3.015 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.139 0.882 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.925 2.220 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.486 1.038 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.241 0.914 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.312 1.071 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.973 2.274 1.516 1.00 0.00 H new ATOM 763 N ILE A 51 2.252 5.387 2.601 1.00 0.00 N ATOM 764 CA ILE A 51 3.273 6.308 3.070 1.00 0.00 C ATOM 765 C ILE A 51 4.445 5.512 3.648 1.00 0.00 C ATOM 766 O ILE A 51 4.251 4.642 4.495 1.00 0.00 O ATOM 767 CB ILE A 51 2.673 7.319 4.049 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.632 8.202 3.357 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.770 8.147 4.722 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.629 8.761 4.368 1.00 0.00 C ATOM 0 H ILE A 51 2.072 4.598 3.222 1.00 0.00 H new ATOM 0 HA ILE A 51 3.666 6.897 2.241 1.00 0.00 H new ATOM 0 HB ILE A 51 2.156 6.768 4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.131 9.023 2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.105 7.623 2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.317 8.858 5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.441 7.485 5.270 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.335 8.688 3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.100 9.385 3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.115 7.938 4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.156 9.359 5.111 1.00 0.00 H new ATOM 782 N TYR A 52 5.635 5.839 3.167 1.00 0.00 N ATOM 783 CA TYR A 52 6.838 5.166 3.625 1.00 0.00 C ATOM 784 C TYR A 52 7.917 6.178 4.016 1.00 0.00 C ATOM 785 O TYR A 52 8.333 6.995 3.197 1.00 0.00 O ATOM 786 CB TYR A 52 7.337 4.339 2.438 1.00 0.00 C ATOM 787 CG TYR A 52 8.564 3.480 2.750 1.00 0.00 C ATOM 788 CD1 TYR A 52 9.828 4.027 2.669 1.00 0.00 C ATOM 789 CD2 TYR A 52 8.406 2.158 3.113 1.00 0.00 C ATOM 790 CE1 TYR A 52 10.983 3.218 2.963 1.00 0.00 C ATOM 791 CE2 TYR A 52 9.561 1.349 3.407 1.00 0.00 C ATOM 792 CZ TYR A 52 10.792 1.919 3.317 1.00 0.00 C ATOM 793 OH TYR A 52 11.883 1.155 3.594 1.00 0.00 O ATOM 0 H TYR A 52 5.792 6.562 2.464 1.00 0.00 H new ATOM 0 HA TYR A 52 6.625 4.553 4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.530 3.691 2.095 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.577 5.012 1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.951 5.062 2.385 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.416 1.730 3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.978 3.634 2.904 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.452 0.313 3.692 1.00 0.00 H new ATOM 0 HH TYR A 52 11.754 0.699 4.452 1.00 0.00 H new ATOM 803 N GLN A 53 8.340 6.089 5.269 1.00 0.00 N ATOM 804 CA GLN A 53 9.363 6.986 5.778 1.00 0.00 C ATOM 805 C GLN A 53 8.731 8.296 6.255 1.00 0.00 C ATOM 806 O GLN A 53 9.134 8.847 7.278 1.00 0.00 O ATOM 807 CB GLN A 53 10.438 7.249 4.722 1.00 0.00 C ATOM 808 CG GLN A 53 11.840 7.126 5.323 1.00 0.00 C ATOM 809 CD GLN A 53 12.055 8.161 6.429 1.00 0.00 C ATOM 810 OE1 GLN A 53 11.379 9.173 6.507 1.00 0.00 O ATOM 811 NE2 GLN A 53 13.031 7.851 7.277 1.00 0.00 N ATOM 0 H GLN A 53 7.993 5.410 5.946 1.00 0.00 H new ATOM 0 HA GLN A 53 9.847 6.507 6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.327 6.541 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.305 8.246 4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.980 6.123 5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.588 7.263 4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.558 6.987 7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.252 8.478 8.051 1.00 0.00 H new ATOM 820 N GLY A 54 7.751 8.755 5.490 1.00 0.00 N ATOM 821 CA GLY A 54 7.060 9.989 5.822 1.00 0.00 C ATOM 822 C GLY A 54 6.448 10.627 4.573 1.00 0.00 C ATOM 823 O GLY A 54 5.521 11.430 4.672 1.00 0.00 O ATOM 0 H GLY A 54 7.420 8.295 4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.277 9.786 6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.757 10.687 6.287 1.00 0.00 H new ATOM 827 N ARG A 55 6.992 10.247 3.426 1.00 0.00 N ATOM 828 CA ARG A 55 6.512 10.772 2.159 1.00 0.00 C ATOM 829 C ARG A 55 5.450 9.842 1.568 1.00 0.00 C ATOM 830 O ARG A 55 5.456 8.641 1.832 1.00 0.00 O ATOM 831 CB ARG A 55 7.658 10.929 1.158 1.00 0.00 C ATOM 832 CG ARG A 55 7.739 12.365 0.638 1.00 0.00 C ATOM 833 CD ARG A 55 8.394 12.412 -0.744 1.00 0.00 C ATOM 834 NE ARG A 55 9.649 13.194 -0.683 1.00 0.00 N ATOM 835 CZ ARG A 55 10.554 13.241 -1.670 1.00 0.00 C ATOM 836 NH1 ARG A 55 10.349 12.552 -2.800 1.00 0.00 N ATOM 837 NH2 ARG A 55 11.664 13.978 -1.527 1.00 0.00 N ATOM 0 H ARG A 55 7.761 9.581 3.348 1.00 0.00 H new ATOM 0 HA ARG A 55 6.076 11.752 2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.600 10.657 1.633 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.513 10.244 0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.738 12.793 0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.310 12.977 1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.603 11.400 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.710 12.861 -1.464 1.00 0.00 H new ATOM 0 HE ARG A 55 9.837 13.731 0.164 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.504 11.991 -2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.038 12.588 -3.551 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.820 14.503 -0.667 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.353 14.014 -2.278 1.00 0.00 H new ATOM 851 N VAL A 56 4.565 10.434 0.779 1.00 0.00 N ATOM 852 CA VAL A 56 3.500 9.673 0.147 1.00 0.00 C ATOM 853 C VAL A 56 4.030 9.028 -1.135 1.00 0.00 C ATOM 854 O VAL A 56 4.877 9.602 -1.818 1.00 0.00 O ATOM 855 CB VAL A 56 2.287 10.574 -0.094 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.561 11.572 -1.221 1.00 0.00 C ATOM 857 CG2 VAL A 56 1.037 9.742 -0.390 1.00 0.00 C ATOM 0 H VAL A 56 4.563 11.431 0.563 1.00 0.00 H new ATOM 0 HA VAL A 56 3.166 8.867 0.801 1.00 0.00 H new ATOM 0 HB VAL A 56 2.104 11.141 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.683 12.200 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.413 12.197 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.782 11.030 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.189 10.406 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.205 9.137 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.825 9.090 0.457 1.00 0.00 H new ATOM 867 N LEU A 57 3.511 7.843 -1.422 1.00 0.00 N ATOM 868 CA LEU A 57 3.921 7.114 -2.609 1.00 0.00 C ATOM 869 C LEU A 57 3.075 7.570 -3.800 1.00 0.00 C ATOM 870 O LEU A 57 1.849 7.611 -3.715 1.00 0.00 O ATOM 871 CB LEU A 57 3.866 5.606 -2.357 1.00 0.00 C ATOM 872 CG LEU A 57 4.672 5.096 -1.161 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.131 3.753 -0.668 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.164 5.026 -1.494 1.00 0.00 C ATOM 0 H LEU A 57 2.810 7.370 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 57 4.960 7.336 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.824 5.319 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.219 5.095 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 57 4.558 5.808 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.722 3.413 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.091 3.869 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.195 3.018 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.714 4.660 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.318 4.348 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.525 6.020 -1.760 1.00 0.00 H new ATOM 886 N GLN A 58 3.764 7.900 -4.883 1.00 0.00 N ATOM 887 CA GLN A 58 3.092 8.351 -6.089 1.00 0.00 C ATOM 888 C GLN A 58 2.311 7.199 -6.724 1.00 0.00 C ATOM 889 O GLN A 58 2.886 6.164 -7.057 1.00 0.00 O ATOM 890 CB GLN A 58 4.090 8.949 -7.082 1.00 0.00 C ATOM 891 CG GLN A 58 4.146 10.473 -6.952 1.00 0.00 C ATOM 892 CD GLN A 58 4.367 10.891 -5.497 1.00 0.00 C ATOM 893 OE1 GLN A 58 5.427 10.700 -4.924 1.00 0.00 O ATOM 894 NE2 GLN A 58 3.311 11.471 -4.935 1.00 0.00 N ATOM 0 H GLN A 58 4.781 7.864 -4.950 1.00 0.00 H new ATOM 0 HA GLN A 58 2.387 9.136 -5.816 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.080 8.529 -6.906 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.805 8.677 -8.098 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.951 10.865 -7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.217 10.908 -7.322 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.454 11.600 -5.472 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.358 11.787 -3.966 1.00 0.00 H new ATOM 903 N ASP A 59 1.012 7.416 -6.871 1.00 0.00 N ATOM 904 CA ASP A 59 0.146 6.409 -7.460 1.00 0.00 C ATOM 905 C ASP A 59 0.720 5.976 -8.811 1.00 0.00 C ATOM 906 O ASP A 59 0.697 4.793 -9.148 1.00 0.00 O ATOM 907 CB ASP A 59 -1.260 6.962 -7.699 1.00 0.00 C ATOM 908 CG ASP A 59 -1.323 8.462 -7.994 1.00 0.00 C ATOM 909 OD1 ASP A 59 -0.519 8.908 -8.841 1.00 0.00 O ATOM 910 OD2 ASP A 59 -2.173 9.129 -7.365 1.00 0.00 O ATOM 0 H ASP A 59 0.538 8.275 -6.592 1.00 0.00 H new ATOM 0 HA ASP A 59 0.089 5.568 -6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.709 6.424 -8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.870 6.754 -6.820 1.00 0.00 H new ATOM 915 N ASP A 60 1.221 6.957 -9.547 1.00 0.00 N ATOM 916 CA ASP A 60 1.800 6.692 -10.853 1.00 0.00 C ATOM 917 C ASP A 60 3.074 5.864 -10.683 1.00 0.00 C ATOM 918 O ASP A 60 3.394 5.029 -11.528 1.00 0.00 O ATOM 919 CB ASP A 60 2.173 7.994 -11.564 1.00 0.00 C ATOM 920 CG ASP A 60 2.105 7.939 -13.091 1.00 0.00 C ATOM 921 OD1 ASP A 60 2.716 7.005 -13.653 1.00 0.00 O ATOM 922 OD2 ASP A 60 1.444 8.833 -13.663 1.00 0.00 O ATOM 0 H ASP A 60 1.238 7.937 -9.264 1.00 0.00 H new ATOM 0 HA ASP A 60 1.060 6.156 -11.447 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.509 8.785 -11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.185 8.274 -11.270 1.00 0.00 H new ATOM 927 N LYS A 61 3.768 6.123 -9.584 1.00 0.00 N ATOM 928 CA LYS A 61 5.001 5.411 -9.292 1.00 0.00 C ATOM 929 C LYS A 61 4.685 3.937 -9.034 1.00 0.00 C ATOM 930 O LYS A 61 3.520 3.557 -8.926 1.00 0.00 O ATOM 931 CB LYS A 61 5.752 6.089 -8.145 1.00 0.00 C ATOM 932 CG LYS A 61 6.806 7.061 -8.678 1.00 0.00 C ATOM 933 CD LYS A 61 8.215 6.486 -8.516 1.00 0.00 C ATOM 934 CE LYS A 61 9.117 7.453 -7.747 1.00 0.00 C ATOM 935 NZ LYS A 61 10.512 6.958 -7.732 1.00 0.00 N ATOM 0 H LYS A 61 3.500 6.816 -8.885 1.00 0.00 H new ATOM 0 HA LYS A 61 5.674 5.448 -10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.046 6.625 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.231 5.333 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.614 7.270 -9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.733 8.010 -8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.164 5.533 -7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.645 6.285 -9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.080 8.440 -8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.753 7.565 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.112 7.626 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.545 6.026 -7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.861 6.874 -8.708 1.00 0.00 H new ATOM 949 N LYS A 62 5.743 3.145 -8.941 1.00 0.00 N ATOM 950 CA LYS A 62 5.593 1.720 -8.697 1.00 0.00 C ATOM 951 C LYS A 62 6.260 1.362 -7.368 1.00 0.00 C ATOM 952 O LYS A 62 7.152 2.072 -6.905 1.00 0.00 O ATOM 953 CB LYS A 62 6.120 0.915 -9.887 1.00 0.00 C ATOM 954 CG LYS A 62 5.642 1.515 -11.210 1.00 0.00 C ATOM 955 CD LYS A 62 6.254 0.775 -12.401 1.00 0.00 C ATOM 956 CE LYS A 62 5.247 0.649 -13.545 1.00 0.00 C ATOM 957 NZ LYS A 62 5.948 0.475 -14.837 1.00 0.00 N ATOM 0 H LYS A 62 6.708 3.463 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 62 4.539 1.457 -8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.210 0.897 -9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.783 -0.119 -9.809 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.555 1.463 -11.265 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.914 2.570 -11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.139 1.307 -12.748 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.581 -0.217 -12.088 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.588 -0.200 -13.365 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.618 1.538 -13.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.249 0.391 -15.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.559 1.298 -15.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.529 -0.387 -14.803 1.00 0.00 H new ATOM 971 N LEU A 63 5.803 0.260 -6.791 1.00 0.00 N ATOM 972 CA LEU A 63 6.345 -0.201 -5.524 1.00 0.00 C ATOM 973 C LEU A 63 7.852 -0.423 -5.669 1.00 0.00 C ATOM 974 O LEU A 63 8.645 0.197 -4.962 1.00 0.00 O ATOM 975 CB LEU A 63 5.585 -1.436 -5.035 1.00 0.00 C ATOM 976 CG LEU A 63 4.091 -1.477 -5.359 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.496 -0.067 -5.381 1.00 0.00 C ATOM 978 CD2 LEU A 63 3.834 -2.227 -6.668 1.00 0.00 C ATOM 0 H LEU A 63 5.064 -0.327 -7.178 1.00 0.00 H new ATOM 0 HA LEU A 63 6.208 0.556 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.054 -2.321 -5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.704 -1.507 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 63 3.585 -2.029 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.433 -0.124 -5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.629 0.399 -4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.002 0.530 -6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.764 -2.242 -6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.355 -1.725 -7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.200 -3.250 -6.579 1.00 0.00 H new ATOM 990 N GLN A 64 8.201 -1.309 -6.590 1.00 0.00 N ATOM 991 CA GLN A 64 9.599 -1.621 -6.836 1.00 0.00 C ATOM 992 C GLN A 64 10.441 -0.344 -6.804 1.00 0.00 C ATOM 993 O GLN A 64 11.462 -0.286 -6.121 1.00 0.00 O ATOM 994 CB GLN A 64 9.770 -2.357 -8.166 1.00 0.00 C ATOM 995 CG GLN A 64 11.177 -2.945 -8.290 1.00 0.00 C ATOM 996 CD GLN A 64 11.497 -3.301 -9.744 1.00 0.00 C ATOM 997 OE1 GLN A 64 11.246 -4.400 -10.210 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.062 -2.313 -10.431 1.00 0.00 N ATOM 0 H GLN A 64 7.540 -1.821 -7.175 1.00 0.00 H new ATOM 0 HA GLN A 64 9.948 -2.283 -6.044 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.031 -3.154 -8.242 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.585 -1.671 -8.992 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.909 -2.228 -7.918 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.259 -3.836 -7.667 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.245 -1.417 -9.979 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.313 -2.451 -11.410 1.00 0.00 H new ATOM 1007 N GLU A 65 9.981 0.649 -7.552 1.00 0.00 N ATOM 1008 CA GLU A 65 10.680 1.921 -7.618 1.00 0.00 C ATOM 1009 C GLU A 65 11.163 2.334 -6.226 1.00 0.00 C ATOM 1010 O GLU A 65 12.351 2.578 -6.024 1.00 0.00 O ATOM 1011 CB GLU A 65 9.790 3.004 -8.233 1.00 0.00 C ATOM 1012 CG GLU A 65 10.290 3.399 -9.624 1.00 0.00 C ATOM 1013 CD GLU A 65 11.605 4.177 -9.533 1.00 0.00 C ATOM 1014 OE1 GLU A 65 12.394 3.853 -8.619 1.00 0.00 O ATOM 1015 OE2 GLU A 65 11.791 5.078 -10.379 1.00 0.00 O ATOM 0 H GLU A 65 9.133 0.598 -8.117 1.00 0.00 H new ATOM 0 HA GLU A 65 11.551 1.802 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.764 2.642 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.777 3.880 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.434 2.505 -10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.537 4.007 -10.126 1.00 0.00 H new ATOM 1022 N TYR A 66 10.216 2.401 -5.301 1.00 0.00 N ATOM 1023 CA TYR A 66 10.530 2.780 -3.934 1.00 0.00 C ATOM 1024 C TYR A 66 11.367 1.701 -3.245 1.00 0.00 C ATOM 1025 O TYR A 66 12.169 2.003 -2.362 1.00 0.00 O ATOM 1026 CB TYR A 66 9.187 2.906 -3.212 1.00 0.00 C ATOM 1027 CG TYR A 66 8.392 4.157 -3.590 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.706 5.373 -3.018 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.360 4.070 -4.503 1.00 0.00 C ATOM 1030 CE1 TYR A 66 7.957 6.551 -3.374 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.612 5.247 -4.859 1.00 0.00 C ATOM 1032 CZ TYR A 66 6.947 6.430 -4.277 1.00 0.00 C ATOM 1033 OH TYR A 66 6.241 7.542 -4.613 1.00 0.00 O ATOM 0 H TYR A 66 9.231 2.199 -5.472 1.00 0.00 H new ATOM 0 HA TYR A 66 11.103 3.707 -3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.584 2.025 -3.432 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.364 2.911 -2.136 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.513 5.442 -2.304 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.114 3.118 -4.950 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.192 7.509 -2.934 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.803 5.192 -5.572 1.00 0.00 H new ATOM 0 HH TYR A 66 6.566 7.890 -5.470 1.00 0.00 H new ATOM 1043 N ASN A 67 11.152 0.466 -3.673 1.00 0.00 N ATOM 1044 CA ASN A 67 11.877 -0.659 -3.108 1.00 0.00 C ATOM 1045 C ASN A 67 11.210 -1.084 -1.799 1.00 0.00 C ATOM 1046 O ASN A 67 11.887 -1.302 -0.795 1.00 0.00 O ATOM 1047 CB ASN A 67 13.327 -0.280 -2.799 1.00 0.00 C ATOM 1048 CG ASN A 67 14.262 -1.474 -3.007 1.00 0.00 C ATOM 1049 OD1 ASN A 67 13.839 -2.587 -3.273 1.00 0.00 O ATOM 1050 ND2 ASN A 67 15.552 -1.181 -2.871 1.00 0.00 N ATOM 0 H ASN A 67 10.486 0.220 -4.405 1.00 0.00 H new ATOM 0 HA ASN A 67 11.864 -1.470 -3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.636 0.545 -3.441 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.403 0.072 -1.770 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.256 -1.910 -2.990 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.838 -0.228 -2.647 1.00 0.00 H new ATOM 1057 N VAL A 68 9.890 -1.189 -1.851 1.00 0.00 N ATOM 1058 CA VAL A 68 9.124 -1.585 -0.682 1.00 0.00 C ATOM 1059 C VAL A 68 8.927 -3.102 -0.695 1.00 0.00 C ATOM 1060 O VAL A 68 7.894 -3.601 -0.254 1.00 0.00 O ATOM 1061 CB VAL A 68 7.804 -0.811 -0.635 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.048 0.696 -0.741 1.00 0.00 C ATOM 1063 CG2 VAL A 68 6.849 -1.290 -1.730 1.00 0.00 C ATOM 0 H VAL A 68 9.332 -1.007 -2.685 1.00 0.00 H new ATOM 0 HA VAL A 68 9.665 -1.336 0.231 1.00 0.00 H new ATOM 0 HB VAL A 68 7.334 -1.007 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.094 1.222 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.674 1.022 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.550 0.918 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.919 -0.724 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.309 -1.137 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.638 -2.350 -1.590 1.00 0.00 H new ATOM 1073 N GLY A 69 9.936 -3.793 -1.207 1.00 0.00 N ATOM 1074 CA GLY A 69 9.887 -5.243 -1.284 1.00 0.00 C ATOM 1075 C GLY A 69 10.136 -5.873 0.088 1.00 0.00 C ATOM 1076 O GLY A 69 11.235 -5.771 0.632 1.00 0.00 O ATOM 0 H GLY A 69 10.792 -3.375 -1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.914 -5.558 -1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.635 -5.599 -1.993 1.00 0.00 H new ATOM 1080 N GLY A 70 9.098 -6.511 0.608 1.00 0.00 N ATOM 1081 CA GLY A 70 9.191 -7.158 1.906 1.00 0.00 C ATOM 1082 C GLY A 70 9.264 -6.123 3.030 1.00 0.00 C ATOM 1083 O GLY A 70 9.431 -6.479 4.196 1.00 0.00 O ATOM 0 H GLY A 70 8.188 -6.594 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.326 -7.804 2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.074 -7.796 1.936 1.00 0.00 H new ATOM 1087 N LYS A 71 9.136 -4.863 2.641 1.00 0.00 N ATOM 1088 CA LYS A 71 9.186 -3.774 3.602 1.00 0.00 C ATOM 1089 C LYS A 71 7.790 -3.551 4.186 1.00 0.00 C ATOM 1090 O LYS A 71 6.806 -4.082 3.673 1.00 0.00 O ATOM 1091 CB LYS A 71 9.792 -2.523 2.963 1.00 0.00 C ATOM 1092 CG LYS A 71 11.225 -2.786 2.495 1.00 0.00 C ATOM 1093 CD LYS A 71 12.217 -2.622 3.648 1.00 0.00 C ATOM 1094 CE LYS A 71 13.638 -2.975 3.203 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.634 -2.296 4.062 1.00 0.00 N ATOM 0 H LYS A 71 8.998 -4.572 1.673 1.00 0.00 H new ATOM 0 HA LYS A 71 9.843 -4.029 4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.181 -2.210 2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.785 -1.703 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.299 -3.794 2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.481 -2.097 1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.191 -1.595 4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.923 -3.262 4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.783 -4.054 3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.784 -2.680 2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.593 -2.546 3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.505 -1.266 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.505 -2.598 5.049 1.00 0.00 H new ATOM 1109 N VAL A 72 7.748 -2.766 5.253 1.00 0.00 N ATOM 1110 CA VAL A 72 6.489 -2.466 5.912 1.00 0.00 C ATOM 1111 C VAL A 72 6.087 -1.022 5.604 1.00 0.00 C ATOM 1112 O VAL A 72 6.749 -0.083 6.045 1.00 0.00 O ATOM 1113 CB VAL A 72 6.604 -2.748 7.412 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.463 -2.082 8.184 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.646 -4.253 7.686 1.00 0.00 C ATOM 0 H VAL A 72 8.566 -2.329 5.677 1.00 0.00 H new ATOM 0 HA VAL A 72 5.696 -3.111 5.533 1.00 0.00 H new ATOM 0 HB VAL A 72 7.542 -2.318 7.763 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.568 -2.298 9.247 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.498 -1.004 8.027 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.508 -2.469 7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.728 -4.425 8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.733 -4.716 7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.507 -4.691 7.182 1.00 0.00 H new ATOM 1125 N ILE A 73 5.006 -0.891 4.851 1.00 0.00 N ATOM 1126 CA ILE A 73 4.509 0.423 4.479 1.00 0.00 C ATOM 1127 C ILE A 73 3.446 0.866 5.486 1.00 0.00 C ATOM 1128 O ILE A 73 2.987 0.066 6.301 1.00 0.00 O ATOM 1129 CB ILE A 73 4.018 0.420 3.029 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.972 -0.369 2.130 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.800 1.846 2.521 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.322 -0.679 0.780 1.00 0.00 C ATOM 0 H ILE A 73 4.460 -1.672 4.488 1.00 0.00 H new ATOM 0 HA ILE A 73 5.313 1.158 4.518 1.00 0.00 H new ATOM 0 HB ILE A 73 3.052 -0.084 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.887 0.202 1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.257 -1.299 2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.451 1.815 1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.054 2.343 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.739 2.397 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.021 -1.240 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.420 -1.271 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.061 0.253 0.279 1.00 0.00 H new ATOM 1144 N HIS A 74 3.085 2.137 5.397 1.00 0.00 N ATOM 1145 CA HIS A 74 2.084 2.695 6.291 1.00 0.00 C ATOM 1146 C HIS A 74 0.913 3.242 5.473 1.00 0.00 C ATOM 1147 O HIS A 74 0.986 4.348 4.940 1.00 0.00 O ATOM 1148 CB HIS A 74 2.705 3.747 7.213 1.00 0.00 C ATOM 1149 CG HIS A 74 3.547 3.168 8.325 1.00 0.00 C ATOM 1150 ND1 HIS A 74 2.998 2.564 9.444 1.00 0.00 N ATOM 1151 CD2 HIS A 74 4.900 3.106 8.479 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.987 2.162 10.229 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.165 2.499 9.630 1.00 0.00 N ATOM 0 H HIS A 74 3.467 2.797 4.720 1.00 0.00 H new ATOM 0 HA HIS A 74 1.694 1.911 6.940 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.322 4.420 6.617 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.908 4.348 7.650 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.633 3.486 7.783 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.879 1.656 11.177 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.096 2.315 10.004 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.140 2.441 5.399 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.326 2.831 4.654 1.00 0.00 C ATOM 1163 C LEU A 75 -2.264 3.617 5.573 1.00 0.00 C ATOM 1164 O LEU A 75 -2.306 3.374 6.778 1.00 0.00 O ATOM 1165 CB LEU A 75 -1.979 1.608 4.008 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.392 1.814 3.459 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.379 2.752 2.250 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -4.056 0.473 3.137 1.00 0.00 C ATOM 0 H LEU A 75 -0.197 1.524 5.842 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.059 3.492 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.340 1.268 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.010 0.806 4.745 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.992 2.293 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.396 2.882 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.974 3.720 2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.758 2.323 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.059 0.648 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.464 -0.056 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.118 -0.129 4.043 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.994 4.542 4.968 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.930 5.365 5.716 1.00 0.00 C ATOM 1182 C VAL A 76 -5.285 5.363 5.007 1.00 0.00 C ATOM 1183 O VAL A 76 -5.349 5.257 3.783 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.356 6.770 5.905 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -2.075 6.732 6.742 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -3.108 7.447 4.555 1.00 0.00 C ATOM 0 H VAL A 76 -2.957 4.740 3.968 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.086 4.955 6.714 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.093 7.362 6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.688 7.744 6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.294 6.309 7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.330 6.115 6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.700 8.445 4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.399 6.855 3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.048 7.524 4.009 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.335 5.481 5.806 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.686 5.494 5.269 1.00 0.00 C ATOM 1198 C GLU A 77 -8.430 6.746 5.736 1.00 0.00 C ATOM 1199 O GLU A 77 -8.590 6.966 6.936 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.445 4.226 5.664 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.875 4.252 5.121 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.847 3.599 6.106 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.709 3.886 7.315 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.706 2.827 5.629 1.00 0.00 O ATOM 0 H GLU A 77 -6.278 5.568 6.821 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.624 5.516 4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.922 3.350 5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.466 4.134 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.178 5.282 4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.915 3.730 4.165 1.00 0.00 H new ATOM 1211 N ARG A 78 -8.866 7.534 4.764 1.00 0.00 N ATOM 1212 CA ARG A 78 -9.590 8.759 5.061 1.00 0.00 C ATOM 1213 C ARG A 78 -10.696 8.487 6.082 1.00 0.00 C ATOM 1214 O ARG A 78 -11.325 7.430 6.055 1.00 0.00 O ATOM 1215 CB ARG A 78 -10.209 9.353 3.795 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.137 9.982 2.903 1.00 0.00 C ATOM 1217 CD ARG A 78 -9.715 11.136 2.080 1.00 0.00 C ATOM 1218 NE ARG A 78 -8.785 11.494 0.987 1.00 0.00 N ATOM 1219 CZ ARG A 78 -9.010 12.472 0.099 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -10.135 13.195 0.170 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -8.109 12.726 -0.860 1.00 0.00 N ATOM 0 H ARG A 78 -8.732 7.348 3.770 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.878 9.474 5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.735 8.574 3.243 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.949 10.106 4.067 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.315 10.346 3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.725 9.225 2.235 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.682 10.850 1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.886 12.001 2.721 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.918 10.963 0.904 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.821 13.001 0.900 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.306 13.939 -0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.252 12.175 -0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.280 13.470 -1.536 1.00 0.00 H new ATOM 1235 N ALA A 79 -10.900 9.459 6.959 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.919 9.338 7.988 1.00 0.00 C ATOM 1237 C ALA A 79 -13.286 9.159 7.325 1.00 0.00 C ATOM 1238 O ALA A 79 -13.491 9.586 6.190 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.870 10.564 8.902 1.00 0.00 C ATOM 0 H ALA A 79 -10.377 10.334 6.978 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.736 8.461 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.634 10.473 9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.888 10.630 9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.053 11.464 8.314 1.00 0.00 H new ATOM 1245 N PRO A 80 -14.211 8.510 8.083 1.00 0.00 N ATOM 1246 CA PRO A 80 -15.554 8.269 7.581 1.00 0.00 C ATOM 1247 C PRO A 80 -16.386 9.553 7.603 1.00 0.00 C ATOM 1248 O PRO A 80 -17.292 9.696 8.423 1.00 0.00 O ATOM 1249 CB PRO A 80 -16.119 7.180 8.478 1.00 0.00 C ATOM 1250 CG PRO A 80 -15.254 7.179 9.728 1.00 0.00 C ATOM 1251 CD PRO A 80 -14.004 7.991 9.431 1.00 0.00 C ATOM 0 HA PRO A 80 -15.563 7.952 6.538 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.162 7.379 8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.089 6.210 7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.798 7.609 10.569 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.989 6.159 10.008 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.876 8.799 10.151 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -13.108 7.372 9.484 1.00 0.00 H new ATOM 1259 N SER A 81 -16.048 10.455 6.693 1.00 0.00 N ATOM 1260 CA SER A 81 -16.753 11.722 6.598 1.00 0.00 C ATOM 1261 C SER A 81 -17.923 11.598 5.619 1.00 0.00 C ATOM 1262 O SER A 81 -19.067 11.876 5.976 1.00 0.00 O ATOM 1263 CB SER A 81 -15.811 12.844 6.158 1.00 0.00 C ATOM 1264 OG SER A 81 -16.270 14.124 6.584 1.00 0.00 O ATOM 0 H SER A 81 -15.296 10.334 6.015 1.00 0.00 H new ATOM 0 HA SER A 81 -17.139 11.974 7.586 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.816 12.662 6.564 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.719 12.835 5.072 1.00 0.00 H new ATOM 0 HG SER A 81 -15.641 14.813 6.285 1.00 0.00 H new ATOM 1270 N GLY A 82 -17.596 11.180 4.405 1.00 0.00 N ATOM 1271 CA GLY A 82 -18.605 11.016 3.373 1.00 0.00 C ATOM 1272 C GLY A 82 -18.258 9.847 2.448 1.00 0.00 C ATOM 1273 O GLY A 82 -17.470 10.001 1.517 1.00 0.00 O ATOM 0 H GLY A 82 -16.646 10.950 4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -19.577 10.843 3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.687 11.934 2.790 1.00 0.00 H new ATOM 1277 N PRO A 83 -18.880 8.675 2.745 1.00 0.00 N ATOM 1278 CA PRO A 83 -18.645 7.481 1.951 1.00 0.00 C ATOM 1279 C PRO A 83 -19.370 7.566 0.606 1.00 0.00 C ATOM 1280 O PRO A 83 -20.075 8.537 0.337 1.00 0.00 O ATOM 1281 CB PRO A 83 -19.131 6.330 2.817 1.00 0.00 C ATOM 1282 CG PRO A 83 -20.042 6.952 3.863 1.00 0.00 C ATOM 1283 CD PRO A 83 -19.820 8.455 3.840 1.00 0.00 C ATOM 0 HA PRO A 83 -17.595 7.349 1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -19.668 5.592 2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -18.294 5.813 3.286 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -21.085 6.717 3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.820 6.548 4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -20.755 8.991 3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -19.414 8.810 4.787 1.00 0.00 H new ATOM 1291 N SER A 84 -19.173 6.535 -0.202 1.00 0.00 N ATOM 1292 CA SER A 84 -19.800 6.480 -1.512 1.00 0.00 C ATOM 1293 C SER A 84 -20.469 5.119 -1.716 1.00 0.00 C ATOM 1294 O SER A 84 -20.150 4.157 -1.020 1.00 0.00 O ATOM 1295 CB SER A 84 -18.779 6.741 -2.622 1.00 0.00 C ATOM 1296 OG SER A 84 -19.377 6.706 -3.915 1.00 0.00 O ATOM 0 H SER A 84 -18.588 5.731 0.025 1.00 0.00 H new ATOM 0 HA SER A 84 -20.559 7.261 -1.561 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.312 7.713 -2.464 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.986 5.995 -2.569 1.00 0.00 H new ATOM 0 HG SER A 84 -18.694 6.879 -4.596 1.00 0.00 H new ATOM 1302 N SER A 85 -21.385 5.084 -2.673 1.00 0.00 N ATOM 1303 CA SER A 85 -22.102 3.857 -2.977 1.00 0.00 C ATOM 1304 C SER A 85 -21.117 2.769 -3.411 1.00 0.00 C ATOM 1305 O SER A 85 -20.630 2.782 -4.540 1.00 0.00 O ATOM 1306 CB SER A 85 -23.151 4.088 -4.066 1.00 0.00 C ATOM 1307 OG SER A 85 -23.766 2.871 -4.481 1.00 0.00 O ATOM 0 H SER A 85 -21.647 5.885 -3.248 1.00 0.00 H new ATOM 0 HA SER A 85 -22.620 3.531 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 85 -23.914 4.772 -3.695 1.00 0.00 H new ATOM 0 HB3 SER A 85 -22.682 4.569 -4.925 1.00 0.00 H new ATOM 0 HG SER A 85 -24.431 3.061 -5.176 1.00 0.00 H new ATOM 1313 N GLY A 86 -20.854 1.853 -2.490 1.00 0.00 N ATOM 1314 CA GLY A 86 -19.936 0.760 -2.763 1.00 0.00 C ATOM 1315 C GLY A 86 -18.580 1.003 -2.097 1.00 0.00 C ATOM 1316 O GLY A 86 -17.965 0.074 -1.577 1.00 0.00 O ATOM 0 H GLY A 86 -21.260 1.845 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -20.361 -0.176 -2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -19.802 0.653 -3.839 1.00 0.00 H new TER 1320 GLY A 86