USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 773 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 25 GLN : amide:sc= -0.0143 X(o=0.0011,f=0.034) USER MOD Set 1.2: A 77 GLN : amide:sc= 0.0154 K(o=0.0011,f=-9.9!) USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.0107 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.181 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -68:sc= 1.17 USER MOD Single : A 13 ASN : amide:sc= -1.14 K(o=-1.1,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.164 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 21:sc= -3.07! USER MOD Single : A 24 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1.1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.33 K(o=-1.3,f=-4.3!) USER MOD Single : A 46 ASN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.0056) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.1) USER MOD Single : A 76 MET CE :methyl 174:sc= -1.95 (180deg=-2.08) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 81 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.5) USER MOD Single : A 91 TYR OH : rot 72:sc= 0.317 USER MOD Single : A 92 GLN : amide:sc= -0.0547 X(o=-0.055,f=-0.46) USER MOD Single : A 96 SER OG : rot 56:sc= 1.23 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -61:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.621 -4.579 -36.492 1.00 0.00 N ATOM 2 CA GLY A 1 30.038 -3.437 -35.810 1.00 0.00 C ATOM 3 C GLY A 1 28.516 -3.422 -35.968 1.00 0.00 C ATOM 4 O GLY A 1 27.998 -3.705 -37.047 1.00 0.00 O ATOM 0 H1 GLY A 1 31.573 -4.332 -36.831 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.686 -5.381 -35.833 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.023 -4.843 -37.301 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.297 -3.470 -34.752 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.458 -2.515 -36.212 1.00 0.00 H new ATOM 8 N SER A 2 27.843 -3.090 -34.876 1.00 0.00 N ATOM 9 CA SER A 2 26.391 -3.035 -34.880 1.00 0.00 C ATOM 10 C SER A 2 25.880 -2.590 -33.508 1.00 0.00 C ATOM 11 O SER A 2 26.388 -3.034 -32.479 1.00 0.00 O ATOM 12 CB SER A 2 25.789 -4.390 -35.257 1.00 0.00 C ATOM 13 OG SER A 2 24.837 -4.278 -36.311 1.00 0.00 O ATOM 0 H SER A 2 28.276 -2.856 -33.983 1.00 0.00 H new ATOM 0 HA SER A 2 26.079 -2.308 -35.630 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.586 -5.069 -35.560 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.311 -4.830 -34.382 1.00 0.00 H new ATOM 0 HG SER A 2 24.478 -5.165 -36.523 1.00 0.00 H new ATOM 19 N SER A 3 24.882 -1.720 -33.537 1.00 0.00 N ATOM 20 CA SER A 3 24.297 -1.211 -32.309 1.00 0.00 C ATOM 21 C SER A 3 23.035 -0.405 -32.625 1.00 0.00 C ATOM 22 O SER A 3 22.772 -0.086 -33.783 1.00 0.00 O ATOM 23 CB SER A 3 25.298 -0.348 -31.539 1.00 0.00 C ATOM 24 OG SER A 3 24.772 0.096 -30.291 1.00 0.00 O ATOM 0 H SER A 3 24.463 -1.354 -34.392 1.00 0.00 H new ATOM 0 HA SER A 3 24.030 -2.060 -31.680 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.210 -0.919 -31.365 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.573 0.516 -32.144 1.00 0.00 H new ATOM 0 HG SER A 3 25.442 0.642 -29.829 1.00 0.00 H new ATOM 30 N GLY A 4 22.287 -0.101 -31.574 1.00 0.00 N ATOM 31 CA GLY A 4 21.059 0.661 -31.725 1.00 0.00 C ATOM 32 C GLY A 4 19.945 0.083 -30.849 1.00 0.00 C ATOM 33 O GLY A 4 20.210 -0.690 -29.931 1.00 0.00 O ATOM 0 H GLY A 4 22.508 -0.369 -30.615 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.237 1.702 -31.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.747 0.652 -32.769 1.00 0.00 H new ATOM 37 N SER A 5 18.721 0.482 -31.165 1.00 0.00 N ATOM 38 CA SER A 5 17.566 0.014 -30.419 1.00 0.00 C ATOM 39 C SER A 5 17.555 0.641 -29.024 1.00 0.00 C ATOM 40 O SER A 5 18.354 0.268 -28.166 1.00 0.00 O ATOM 41 CB SER A 5 17.559 -1.513 -30.316 1.00 0.00 C ATOM 42 OG SER A 5 16.266 -2.059 -30.563 1.00 0.00 O ATOM 0 H SER A 5 18.505 1.124 -31.928 1.00 0.00 H new ATOM 0 HA SER A 5 16.666 0.319 -30.954 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.270 -1.928 -31.030 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.895 -1.811 -29.323 1.00 0.00 H new ATOM 0 HG SER A 5 16.304 -3.036 -30.490 1.00 0.00 H new ATOM 48 N SER A 6 16.640 1.582 -28.840 1.00 0.00 N ATOM 49 CA SER A 6 16.515 2.264 -27.563 1.00 0.00 C ATOM 50 C SER A 6 15.388 3.297 -27.630 1.00 0.00 C ATOM 51 O SER A 6 15.225 3.978 -28.641 1.00 0.00 O ATOM 52 CB SER A 6 17.830 2.938 -27.167 1.00 0.00 C ATOM 53 OG SER A 6 17.690 3.734 -25.993 1.00 0.00 O ATOM 0 H SER A 6 15.979 1.888 -29.554 1.00 0.00 H new ATOM 0 HA SER A 6 16.275 1.522 -26.801 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.592 2.176 -27.000 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.179 3.563 -27.989 1.00 0.00 H new ATOM 0 HG SER A 6 18.551 4.146 -25.772 1.00 0.00 H new ATOM 59 N GLY A 7 14.639 3.380 -26.540 1.00 0.00 N ATOM 60 CA GLY A 7 13.532 4.318 -26.462 1.00 0.00 C ATOM 61 C GLY A 7 12.271 3.635 -25.929 1.00 0.00 C ATOM 62 O GLY A 7 11.844 2.611 -26.461 1.00 0.00 O ATOM 0 H GLY A 7 14.777 2.813 -25.704 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.801 5.151 -25.812 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.334 4.735 -27.449 1.00 0.00 H new ATOM 66 N LYS A 8 11.711 4.229 -24.886 1.00 0.00 N ATOM 67 CA LYS A 8 10.507 3.691 -24.276 1.00 0.00 C ATOM 68 C LYS A 8 9.781 4.806 -23.520 1.00 0.00 C ATOM 69 O LYS A 8 10.085 5.074 -22.359 1.00 0.00 O ATOM 70 CB LYS A 8 10.844 2.478 -23.406 1.00 0.00 C ATOM 71 CG LYS A 8 12.034 2.773 -22.491 1.00 0.00 C ATOM 72 CD LYS A 8 13.243 1.914 -22.870 1.00 0.00 C ATOM 73 CE LYS A 8 14.546 2.564 -22.399 1.00 0.00 C ATOM 74 NZ LYS A 8 15.713 1.857 -22.970 1.00 0.00 N ATOM 0 H LYS A 8 12.069 5.078 -24.448 1.00 0.00 H new ATOM 0 HA LYS A 8 9.823 3.326 -25.042 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.977 2.205 -22.804 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.073 1.622 -24.042 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.297 3.828 -22.560 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.757 2.580 -21.455 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.144 0.924 -22.425 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.271 1.776 -23.951 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.566 3.612 -22.699 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.597 2.543 -21.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.589 2.311 -22.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.701 0.863 -22.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.671 1.899 -24.008 1.00 0.00 H new ATOM 88 N PRO A 9 8.810 5.443 -24.229 1.00 0.00 N ATOM 89 CA PRO A 9 8.039 6.523 -23.638 1.00 0.00 C ATOM 90 C PRO A 9 7.008 5.981 -22.646 1.00 0.00 C ATOM 91 O PRO A 9 6.676 4.797 -22.675 1.00 0.00 O ATOM 92 CB PRO A 9 7.407 7.245 -24.817 1.00 0.00 C ATOM 93 CG PRO A 9 7.468 6.273 -25.983 1.00 0.00 C ATOM 94 CD PRO A 9 8.423 5.152 -25.607 1.00 0.00 C ATOM 0 HA PRO A 9 8.653 7.207 -23.052 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.377 7.526 -24.596 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.946 8.164 -25.046 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.477 5.874 -26.199 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.811 6.780 -26.885 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.941 4.178 -25.686 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.291 5.133 -26.267 1.00 0.00 H new ATOM 102 N GLU A 10 6.530 6.874 -21.792 1.00 0.00 N ATOM 103 CA GLU A 10 5.543 6.500 -20.793 1.00 0.00 C ATOM 104 C GLU A 10 4.848 7.746 -20.241 1.00 0.00 C ATOM 105 O GLU A 10 5.346 8.860 -20.398 1.00 0.00 O ATOM 106 CB GLU A 10 6.184 5.686 -19.667 1.00 0.00 C ATOM 107 CG GLU A 10 5.894 4.193 -19.837 1.00 0.00 C ATOM 108 CD GLU A 10 7.175 3.367 -19.700 1.00 0.00 C ATOM 109 OE1 GLU A 10 7.834 3.513 -18.648 1.00 0.00 O ATOM 110 OE2 GLU A 10 7.466 2.609 -20.650 1.00 0.00 O ATOM 0 H GLU A 10 6.808 7.855 -21.771 1.00 0.00 H new ATOM 0 HA GLU A 10 4.792 5.870 -21.270 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.261 5.853 -19.661 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.803 6.027 -18.704 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.168 3.872 -19.089 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.445 4.015 -20.814 1.00 0.00 H new ATOM 117 N PRO A 11 3.678 7.511 -19.588 1.00 0.00 N ATOM 118 CA PRO A 11 2.910 8.601 -19.012 1.00 0.00 C ATOM 119 C PRO A 11 3.564 9.113 -17.727 1.00 0.00 C ATOM 120 O PRO A 11 4.693 8.741 -17.410 1.00 0.00 O ATOM 121 CB PRO A 11 1.522 8.027 -18.784 1.00 0.00 C ATOM 122 CG PRO A 11 1.687 6.516 -18.805 1.00 0.00 C ATOM 123 CD PRO A 11 3.058 6.205 -19.383 1.00 0.00 C ATOM 0 HA PRO A 11 2.863 9.473 -19.664 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.113 8.362 -17.831 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.831 8.355 -19.561 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.596 6.108 -17.798 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.905 6.055 -19.408 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.645 5.590 -18.701 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.977 5.653 -20.320 1.00 0.00 H new ATOM 131 N THR A 12 2.826 9.959 -17.022 1.00 0.00 N ATOM 132 CA THR A 12 3.320 10.526 -15.779 1.00 0.00 C ATOM 133 C THR A 12 2.229 10.492 -14.707 1.00 0.00 C ATOM 134 O THR A 12 1.905 11.520 -14.114 1.00 0.00 O ATOM 135 CB THR A 12 3.839 11.935 -16.074 1.00 0.00 C ATOM 136 OG1 THR A 12 4.142 12.470 -14.789 1.00 0.00 O ATOM 137 CG2 THR A 12 2.746 12.859 -16.614 1.00 0.00 C ATOM 0 H THR A 12 1.890 10.265 -17.288 1.00 0.00 H new ATOM 0 HA THR A 12 4.145 9.938 -15.377 1.00 0.00 H new ATOM 0 HB THR A 12 4.655 11.878 -16.794 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.311 12.611 -14.289 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.166 13.846 -16.807 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.347 12.447 -17.541 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.945 12.943 -15.880 1.00 0.00 H new ATOM 145 N ASN A 13 1.693 9.300 -14.491 1.00 0.00 N ATOM 146 CA ASN A 13 0.645 9.119 -13.500 1.00 0.00 C ATOM 147 C ASN A 13 -0.579 9.942 -13.904 1.00 0.00 C ATOM 148 O ASN A 13 -0.471 10.872 -14.701 1.00 0.00 O ATOM 149 CB ASN A 13 1.103 9.597 -12.121 1.00 0.00 C ATOM 150 CG ASN A 13 2.333 8.818 -11.651 1.00 0.00 C ATOM 151 OD1 ASN A 13 2.243 7.852 -10.911 1.00 0.00 O ATOM 152 ND2 ASN A 13 3.484 9.291 -12.120 1.00 0.00 N ATOM 0 H ASN A 13 1.964 8.450 -14.985 1.00 0.00 H new ATOM 0 HA ASN A 13 0.405 8.057 -13.452 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.335 10.661 -12.160 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.293 9.473 -11.402 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.363 8.841 -11.864 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.488 10.104 -12.736 1.00 0.00 H new ATOM 159 N SER A 14 -1.717 9.570 -13.335 1.00 0.00 N ATOM 160 CA SER A 14 -2.961 10.262 -13.626 1.00 0.00 C ATOM 161 C SER A 14 -4.120 9.586 -12.890 1.00 0.00 C ATOM 162 O SER A 14 -4.862 8.803 -13.481 1.00 0.00 O ATOM 163 CB SER A 14 -3.234 10.294 -15.131 1.00 0.00 C ATOM 164 OG SER A 14 -3.399 11.624 -15.615 1.00 0.00 O ATOM 0 H SER A 14 -1.803 8.798 -12.674 1.00 0.00 H new ATOM 0 HA SER A 14 -2.870 11.291 -13.279 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.409 9.816 -15.659 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.131 9.715 -15.349 1.00 0.00 H new ATOM 0 HG SER A 14 -3.570 11.602 -16.580 1.00 0.00 H new ATOM 170 N SER A 15 -4.238 9.914 -11.612 1.00 0.00 N ATOM 171 CA SER A 15 -5.294 9.349 -10.790 1.00 0.00 C ATOM 172 C SER A 15 -5.493 7.872 -11.135 1.00 0.00 C ATOM 173 O SER A 15 -6.379 7.527 -11.916 1.00 0.00 O ATOM 174 CB SER A 15 -6.605 10.117 -10.971 1.00 0.00 C ATOM 175 OG SER A 15 -6.710 11.214 -10.067 1.00 0.00 O ATOM 0 H SER A 15 -3.620 10.564 -11.126 1.00 0.00 H new ATOM 0 HA SER A 15 -4.995 9.435 -9.745 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.672 10.484 -11.995 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.446 9.440 -10.819 1.00 0.00 H new ATOM 0 HG SER A 15 -7.559 11.680 -10.215 1.00 0.00 H new ATOM 181 N VAL A 16 -4.654 7.039 -10.537 1.00 0.00 N ATOM 182 CA VAL A 16 -4.726 5.607 -10.772 1.00 0.00 C ATOM 183 C VAL A 16 -5.920 5.029 -10.009 1.00 0.00 C ATOM 184 O VAL A 16 -6.557 5.729 -9.224 1.00 0.00 O ATOM 185 CB VAL A 16 -3.398 4.947 -10.394 1.00 0.00 C ATOM 186 CG1 VAL A 16 -2.242 5.540 -11.201 1.00 0.00 C ATOM 187 CG2 VAL A 16 -3.136 5.065 -8.891 1.00 0.00 C ATOM 0 H VAL A 16 -3.921 7.329 -9.890 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.886 5.401 -11.830 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.468 3.887 -10.639 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.310 5.054 -10.913 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.421 5.381 -12.264 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.170 6.609 -11.002 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.186 4.588 -8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.096 6.117 -8.610 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.939 4.574 -8.342 1.00 0.00 H new ATOM 197 N GLU A 17 -6.186 3.756 -10.266 1.00 0.00 N ATOM 198 CA GLU A 17 -7.291 3.076 -9.614 1.00 0.00 C ATOM 199 C GLU A 17 -6.839 2.495 -8.273 1.00 0.00 C ATOM 200 O GLU A 17 -5.655 2.532 -7.943 1.00 0.00 O ATOM 201 CB GLU A 17 -7.874 1.987 -10.516 1.00 0.00 C ATOM 202 CG GLU A 17 -6.855 0.872 -10.757 1.00 0.00 C ATOM 203 CD GLU A 17 -7.540 -0.396 -11.272 1.00 0.00 C ATOM 204 OE1 GLU A 17 -7.848 -0.422 -12.483 1.00 0.00 O ATOM 205 OE2 GLU A 17 -7.740 -1.309 -10.443 1.00 0.00 O ATOM 0 H GLU A 17 -5.654 3.178 -10.917 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.080 3.804 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.771 1.572 -10.057 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.175 2.422 -11.469 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.110 1.206 -11.479 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.325 0.652 -9.830 1.00 0.00 H new ATOM 212 N VAL A 18 -7.807 1.971 -7.535 1.00 0.00 N ATOM 213 CA VAL A 18 -7.524 1.382 -6.237 1.00 0.00 C ATOM 214 C VAL A 18 -8.340 0.098 -6.075 1.00 0.00 C ATOM 215 O VAL A 18 -9.462 0.005 -6.571 1.00 0.00 O ATOM 216 CB VAL A 18 -7.790 2.403 -5.130 1.00 0.00 C ATOM 217 CG1 VAL A 18 -7.702 1.750 -3.749 1.00 0.00 C ATOM 218 CG2 VAL A 18 -6.830 3.590 -5.237 1.00 0.00 C ATOM 0 H VAL A 18 -8.788 1.942 -7.811 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.471 1.109 -6.163 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.805 2.780 -5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.895 2.498 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.443 0.954 -3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.705 1.332 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.040 4.301 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.803 3.237 -5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.962 4.079 -6.202 1.00 0.00 H new ATOM 228 N SER A 19 -7.746 -0.859 -5.378 1.00 0.00 N ATOM 229 CA SER A 19 -8.404 -2.133 -5.145 1.00 0.00 C ATOM 230 C SER A 19 -9.044 -2.145 -3.755 1.00 0.00 C ATOM 231 O SER A 19 -8.573 -1.463 -2.845 1.00 0.00 O ATOM 232 CB SER A 19 -7.420 -3.296 -5.285 1.00 0.00 C ATOM 233 OG SER A 19 -7.758 -4.153 -6.373 1.00 0.00 O ATOM 0 H SER A 19 -6.816 -0.778 -4.967 1.00 0.00 H new ATOM 0 HA SER A 19 -9.182 -2.258 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.414 -2.904 -5.431 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.406 -3.873 -4.360 1.00 0.00 H new ATOM 0 HG SER A 19 -7.105 -4.882 -6.430 1.00 0.00 H new ATOM 239 N PRO A 20 -10.135 -2.948 -3.630 1.00 0.00 N ATOM 240 CA PRO A 20 -10.843 -3.057 -2.367 1.00 0.00 C ATOM 241 C PRO A 20 -10.058 -3.911 -1.369 1.00 0.00 C ATOM 242 O PRO A 20 -10.283 -3.828 -0.163 1.00 0.00 O ATOM 243 CB PRO A 20 -12.195 -3.653 -2.724 1.00 0.00 C ATOM 244 CG PRO A 20 -12.023 -4.284 -4.096 1.00 0.00 C ATOM 245 CD PRO A 20 -10.720 -3.769 -4.686 1.00 0.00 C ATOM 0 HA PRO A 20 -10.965 -2.095 -1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.501 -4.396 -1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.968 -2.885 -2.742 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.003 -5.371 -4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.862 -4.027 -4.742 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.058 -4.590 -4.962 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.897 -3.185 -5.589 1.00 0.00 H new ATOM 253 N ASP A 21 -9.152 -4.713 -1.910 1.00 0.00 N ATOM 254 CA ASP A 21 -8.332 -5.581 -1.083 1.00 0.00 C ATOM 255 C ASP A 21 -7.012 -4.877 -0.764 1.00 0.00 C ATOM 256 O ASP A 21 -6.087 -5.494 -0.238 1.00 0.00 O ATOM 257 CB ASP A 21 -8.008 -6.888 -1.810 1.00 0.00 C ATOM 258 CG ASP A 21 -9.188 -7.533 -2.539 1.00 0.00 C ATOM 259 OD1 ASP A 21 -9.772 -6.840 -3.399 1.00 0.00 O ATOM 260 OD2 ASP A 21 -9.480 -8.706 -2.219 1.00 0.00 O ATOM 0 H ASP A 21 -8.968 -4.779 -2.911 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.888 -5.803 -0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.215 -6.697 -2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.614 -7.601 -1.086 1.00 0.00 H new ATOM 265 N ILE A 22 -6.967 -3.595 -1.095 1.00 0.00 N ATOM 266 CA ILE A 22 -5.775 -2.800 -0.851 1.00 0.00 C ATOM 267 C ILE A 22 -5.209 -3.150 0.527 1.00 0.00 C ATOM 268 O ILE A 22 -3.994 -3.169 0.716 1.00 0.00 O ATOM 269 CB ILE A 22 -6.078 -1.312 -1.032 1.00 0.00 C ATOM 270 CG1 ILE A 22 -4.860 -0.457 -0.674 1.00 0.00 C ATOM 271 CG2 ILE A 22 -7.318 -0.903 -0.235 1.00 0.00 C ATOM 272 CD1 ILE A 22 -3.932 -0.294 -1.880 1.00 0.00 C ATOM 0 H ILE A 22 -7.737 -3.087 -1.530 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.002 -3.035 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.299 -1.135 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.188 0.523 -0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.315 -0.920 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.511 0.160 -0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.178 -1.478 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.151 -1.099 0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.074 0.317 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.587 -1.274 -2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.473 0.191 -2.692 1.00 0.00 H new ATOM 284 N TYR A 23 -6.117 -3.418 1.454 1.00 0.00 N ATOM 285 CA TYR A 23 -5.723 -3.765 2.809 1.00 0.00 C ATOM 286 C TYR A 23 -4.917 -5.066 2.829 1.00 0.00 C ATOM 287 O TYR A 23 -3.758 -5.076 3.239 1.00 0.00 O ATOM 288 CB TYR A 23 -7.024 -3.973 3.586 1.00 0.00 C ATOM 289 CG TYR A 23 -8.067 -2.878 3.357 1.00 0.00 C ATOM 290 CD1 TYR A 23 -7.857 -1.609 3.856 1.00 0.00 C ATOM 291 CD2 TYR A 23 -9.220 -3.160 2.652 1.00 0.00 C ATOM 292 CE1 TYR A 23 -8.839 -0.578 3.640 1.00 0.00 C ATOM 293 CE2 TYR A 23 -10.202 -2.129 2.436 1.00 0.00 C ATOM 294 CZ TYR A 23 -9.963 -0.889 2.940 1.00 0.00 C ATOM 295 OH TYR A 23 -10.891 0.084 2.737 1.00 0.00 O ATOM 0 H TYR A 23 -7.124 -3.402 1.293 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.099 -2.982 3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.454 -4.934 3.304 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.795 -4.026 4.650 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.956 -1.389 4.409 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.386 -4.154 2.263 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.686 0.419 4.025 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.108 -2.336 1.886 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.471 0.963 2.842 1.00 0.00 H new ATOM 305 N GLN A 24 -5.564 -6.132 2.381 1.00 0.00 N ATOM 306 CA GLN A 24 -4.923 -7.435 2.343 1.00 0.00 C ATOM 307 C GLN A 24 -3.634 -7.369 1.520 1.00 0.00 C ATOM 308 O GLN A 24 -2.649 -8.027 1.849 1.00 0.00 O ATOM 309 CB GLN A 24 -5.873 -8.498 1.787 1.00 0.00 C ATOM 310 CG GLN A 24 -5.226 -9.884 1.821 1.00 0.00 C ATOM 311 CD GLN A 24 -6.096 -10.913 1.097 1.00 0.00 C ATOM 312 OE1 GLN A 24 -6.871 -10.595 0.211 1.00 0.00 O ATOM 313 NE2 GLN A 24 -5.925 -12.162 1.524 1.00 0.00 N ATOM 0 H GLN A 24 -6.526 -6.120 2.041 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.666 -7.721 3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.794 -8.508 2.370 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.147 -8.246 0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.242 -9.841 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.075 -10.193 2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.259 -12.359 2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.460 -12.922 1.104 1.00 0.00 H new ATOM 322 N GLN A 25 -3.683 -6.567 0.467 1.00 0.00 N ATOM 323 CA GLN A 25 -2.532 -6.406 -0.405 1.00 0.00 C ATOM 324 C GLN A 25 -1.322 -5.924 0.397 1.00 0.00 C ATOM 325 O GLN A 25 -0.263 -6.549 0.365 1.00 0.00 O ATOM 326 CB GLN A 25 -2.845 -5.445 -1.554 1.00 0.00 C ATOM 327 CG GLN A 25 -3.716 -6.123 -2.614 1.00 0.00 C ATOM 328 CD GLN A 25 -3.276 -5.723 -4.024 1.00 0.00 C ATOM 329 OE1 GLN A 25 -2.675 -6.492 -4.756 1.00 0.00 O ATOM 330 NE2 GLN A 25 -3.606 -4.480 -4.361 1.00 0.00 N ATOM 0 H GLN A 25 -4.502 -6.022 0.198 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.292 -7.376 -0.840 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.357 -4.564 -1.167 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.916 -5.100 -2.008 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.653 -7.206 -2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.760 -5.847 -2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.110 -3.889 -3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.356 -4.117 -5.281 1.00 0.00 H new ATOM 339 N VAL A 26 -1.519 -4.818 1.099 1.00 0.00 N ATOM 340 CA VAL A 26 -0.457 -4.246 1.909 1.00 0.00 C ATOM 341 C VAL A 26 0.160 -5.341 2.781 1.00 0.00 C ATOM 342 O VAL A 26 1.347 -5.641 2.660 1.00 0.00 O ATOM 343 CB VAL A 26 -0.996 -3.067 2.722 1.00 0.00 C ATOM 344 CG1 VAL A 26 0.043 -2.578 3.733 1.00 0.00 C ATOM 345 CG2 VAL A 26 -1.446 -1.929 1.804 1.00 0.00 C ATOM 0 H VAL A 26 -2.399 -4.302 1.124 1.00 0.00 H new ATOM 0 HA VAL A 26 0.336 -3.850 1.274 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.867 -3.413 3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.365 -1.740 4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.294 -3.388 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.941 -2.257 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.825 -1.104 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.600 -1.585 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.234 -2.286 1.141 1.00 0.00 H new ATOM 355 N ARG A 27 -0.674 -5.909 3.639 1.00 0.00 N ATOM 356 CA ARG A 27 -0.225 -6.965 4.531 1.00 0.00 C ATOM 357 C ARG A 27 0.687 -7.940 3.784 1.00 0.00 C ATOM 358 O ARG A 27 1.794 -8.229 4.234 1.00 0.00 O ATOM 359 CB ARG A 27 -1.412 -7.734 5.116 1.00 0.00 C ATOM 360 CG ARG A 27 -2.284 -6.822 5.981 1.00 0.00 C ATOM 361 CD ARG A 27 -2.806 -7.568 7.210 1.00 0.00 C ATOM 362 NE ARG A 27 -1.676 -8.154 7.965 1.00 0.00 N ATOM 363 CZ ARG A 27 -1.811 -8.833 9.112 1.00 0.00 C ATOM 364 NH1 ARG A 27 -3.028 -9.016 9.643 1.00 0.00 N ATOM 365 NH2 ARG A 27 -0.730 -9.329 9.728 1.00 0.00 N ATOM 0 H ARG A 27 -1.658 -5.658 3.736 1.00 0.00 H new ATOM 0 HA ARG A 27 0.328 -6.497 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.010 -8.156 4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.049 -8.570 5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.707 -5.953 6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.123 -6.451 5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.366 -6.885 7.849 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.495 -8.354 6.903 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.736 -8.033 7.589 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.851 -8.638 9.174 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.131 -9.533 10.516 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.196 -9.190 9.324 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.833 -9.846 10.601 1.00 0.00 H new ATOM 379 N ASP A 28 0.188 -8.419 2.654 1.00 0.00 N ATOM 380 CA ASP A 28 0.944 -9.355 1.839 1.00 0.00 C ATOM 381 C ASP A 28 2.222 -8.676 1.343 1.00 0.00 C ATOM 382 O ASP A 28 3.292 -9.283 1.343 1.00 0.00 O ATOM 383 CB ASP A 28 0.138 -9.797 0.616 1.00 0.00 C ATOM 384 CG ASP A 28 0.672 -11.042 -0.095 1.00 0.00 C ATOM 385 OD1 ASP A 28 1.721 -10.908 -0.761 1.00 0.00 O ATOM 386 OD2 ASP A 28 0.019 -12.099 0.044 1.00 0.00 O ATOM 0 H ASP A 28 -0.731 -8.176 2.283 1.00 0.00 H new ATOM 0 HA ASP A 28 1.175 -10.226 2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.890 -9.987 0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.109 -8.974 -0.098 1.00 0.00 H new ATOM 391 N GLU A 29 2.068 -7.426 0.932 1.00 0.00 N ATOM 392 CA GLU A 29 3.197 -6.658 0.435 1.00 0.00 C ATOM 393 C GLU A 29 4.300 -6.589 1.493 1.00 0.00 C ATOM 394 O GLU A 29 5.466 -6.845 1.196 1.00 0.00 O ATOM 395 CB GLU A 29 2.760 -5.255 0.006 1.00 0.00 C ATOM 396 CG GLU A 29 3.955 -4.302 -0.052 1.00 0.00 C ATOM 397 CD GLU A 29 4.270 -3.731 1.332 1.00 0.00 C ATOM 398 OE1 GLU A 29 3.297 -3.397 2.042 1.00 0.00 O ATOM 399 OE2 GLU A 29 5.476 -3.642 1.648 1.00 0.00 O ATOM 0 H GLU A 29 1.179 -6.926 0.933 1.00 0.00 H new ATOM 0 HA GLU A 29 3.596 -7.164 -0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.281 -5.303 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.018 -4.871 0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.827 -4.830 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.742 -3.488 -0.745 1.00 0.00 H new ATOM 406 N LEU A 30 3.893 -6.242 2.705 1.00 0.00 N ATOM 407 CA LEU A 30 4.832 -6.136 3.808 1.00 0.00 C ATOM 408 C LEU A 30 5.499 -7.494 4.036 1.00 0.00 C ATOM 409 O LEU A 30 6.713 -7.570 4.221 1.00 0.00 O ATOM 410 CB LEU A 30 4.138 -5.576 5.051 1.00 0.00 C ATOM 411 CG LEU A 30 3.316 -4.302 4.843 1.00 0.00 C ATOM 412 CD1 LEU A 30 2.381 -4.053 6.028 1.00 0.00 C ATOM 413 CD2 LEU A 30 4.225 -3.102 4.568 1.00 0.00 C ATOM 0 H LEU A 30 2.925 -6.031 2.947 1.00 0.00 H new ATOM 0 HA LEU A 30 5.624 -5.427 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.481 -6.347 5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.897 -5.376 5.807 1.00 0.00 H new ATOM 0 HG LEU A 30 2.689 -4.440 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.809 -3.142 5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.698 -4.896 6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.969 -3.944 6.939 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.616 -2.210 4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.895 -2.951 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.813 -3.289 3.669 1.00 0.00 H new ATOM 425 N LYS A 31 4.676 -8.533 4.016 1.00 0.00 N ATOM 426 CA LYS A 31 5.171 -9.884 4.218 1.00 0.00 C ATOM 427 C LYS A 31 6.056 -10.281 3.035 1.00 0.00 C ATOM 428 O LYS A 31 6.734 -11.306 3.079 1.00 0.00 O ATOM 429 CB LYS A 31 4.010 -10.848 4.468 1.00 0.00 C ATOM 430 CG LYS A 31 4.516 -12.186 5.011 1.00 0.00 C ATOM 431 CD LYS A 31 3.988 -13.352 4.173 1.00 0.00 C ATOM 432 CE LYS A 31 3.004 -14.204 4.977 1.00 0.00 C ATOM 433 NZ LYS A 31 3.645 -15.463 5.415 1.00 0.00 N ATOM 0 H LYS A 31 3.670 -8.466 3.863 1.00 0.00 H new ATOM 0 HA LYS A 31 5.793 -9.932 5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.311 -10.405 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.462 -11.012 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.606 -12.195 5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.199 -12.305 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.496 -12.969 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.821 -13.970 3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.656 -13.645 5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.127 -14.428 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.963 -16.029 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.956 -16.002 4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.468 -15.244 6.012 1.00 0.00 H new ATOM 447 N ARG A 32 6.021 -9.448 2.005 1.00 0.00 N ATOM 448 CA ARG A 32 6.811 -9.699 0.812 1.00 0.00 C ATOM 449 C ARG A 32 8.184 -9.035 0.935 1.00 0.00 C ATOM 450 O ARG A 32 9.211 -9.688 0.757 1.00 0.00 O ATOM 451 CB ARG A 32 6.106 -9.167 -0.438 1.00 0.00 C ATOM 452 CG ARG A 32 6.183 -10.179 -1.583 1.00 0.00 C ATOM 453 CD ARG A 32 4.841 -10.887 -1.781 1.00 0.00 C ATOM 454 NE ARG A 32 4.992 -12.337 -1.529 1.00 0.00 N ATOM 455 CZ ARG A 32 5.017 -12.889 -0.308 1.00 0.00 C ATOM 456 NH1 ARG A 32 4.902 -12.115 0.780 1.00 0.00 N ATOM 457 NH2 ARG A 32 5.158 -14.215 -0.175 1.00 0.00 N ATOM 0 H ARG A 32 5.458 -8.598 1.972 1.00 0.00 H new ATOM 0 HA ARG A 32 6.932 -10.778 0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.063 -8.952 -0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.565 -8.228 -0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.469 -9.671 -2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.959 -10.915 -1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.096 -10.468 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.479 -10.722 -2.796 1.00 0.00 H new ATOM 0 HE ARG A 32 5.083 -12.955 -2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.795 -11.106 0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.921 -12.535 1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.246 -14.804 -1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.177 -14.635 0.754 1.00 0.00 H new ATOM 471 N ALA A 33 8.158 -7.746 1.240 1.00 0.00 N ATOM 472 CA ALA A 33 9.388 -6.987 1.389 1.00 0.00 C ATOM 473 C ALA A 33 9.888 -7.114 2.829 1.00 0.00 C ATOM 474 O ALA A 33 10.975 -6.640 3.156 1.00 0.00 O ATOM 475 CB ALA A 33 9.143 -5.533 0.982 1.00 0.00 C ATOM 0 H ALA A 33 7.304 -7.208 1.388 1.00 0.00 H new ATOM 0 HA ALA A 33 10.165 -7.382 0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.066 -4.963 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.817 -5.496 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.371 -5.102 1.619 1.00 0.00 H new ATOM 481 N SER A 34 9.071 -7.755 3.652 1.00 0.00 N ATOM 482 CA SER A 34 9.417 -7.949 5.049 1.00 0.00 C ATOM 483 C SER A 34 9.774 -6.607 5.692 1.00 0.00 C ATOM 484 O SER A 34 10.738 -6.515 6.450 1.00 0.00 O ATOM 485 CB SER A 34 10.578 -8.935 5.198 1.00 0.00 C ATOM 486 OG SER A 34 10.569 -9.583 6.466 1.00 0.00 O ATOM 0 H SER A 34 8.170 -8.147 3.377 1.00 0.00 H new ATOM 0 HA SER A 34 8.551 -8.370 5.560 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.521 -9.684 4.408 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.522 -8.406 5.068 1.00 0.00 H new ATOM 0 HG SER A 34 11.324 -10.205 6.521 1.00 0.00 H new ATOM 492 N VAL A 35 8.978 -5.600 5.364 1.00 0.00 N ATOM 493 CA VAL A 35 9.198 -4.268 5.900 1.00 0.00 C ATOM 494 C VAL A 35 8.145 -3.972 6.969 1.00 0.00 C ATOM 495 O VAL A 35 7.121 -4.650 7.042 1.00 0.00 O ATOM 496 CB VAL A 35 9.202 -3.242 4.765 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.190 -3.934 3.400 1.00 0.00 C ATOM 498 CG2 VAL A 35 8.027 -2.272 4.899 1.00 0.00 C ATOM 0 H VAL A 35 8.180 -5.680 4.734 1.00 0.00 H new ATOM 0 HA VAL A 35 10.175 -4.206 6.380 1.00 0.00 H new ATOM 0 HB VAL A 35 10.123 -2.664 4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.193 -3.182 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.074 -4.565 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.294 -4.549 3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.053 -1.553 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.090 -2.828 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.099 -1.742 5.849 1.00 0.00 H new ATOM 508 N SER A 36 8.433 -2.959 7.773 1.00 0.00 N ATOM 509 CA SER A 36 7.523 -2.565 8.836 1.00 0.00 C ATOM 510 C SER A 36 6.454 -1.619 8.286 1.00 0.00 C ATOM 511 O SER A 36 6.752 -0.747 7.471 1.00 0.00 O ATOM 512 CB SER A 36 8.277 -1.900 9.989 1.00 0.00 C ATOM 513 OG SER A 36 8.559 -2.818 11.042 1.00 0.00 O ATOM 0 H SER A 36 9.283 -2.399 7.710 1.00 0.00 H new ATOM 0 HA SER A 36 7.041 -3.463 9.223 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.210 -1.478 9.616 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.686 -1.071 10.379 1.00 0.00 H new ATOM 0 HG SER A 36 9.042 -2.356 11.758 1.00 0.00 H new ATOM 519 N GLN A 37 5.231 -1.823 8.753 1.00 0.00 N ATOM 520 CA GLN A 37 4.116 -0.999 8.318 1.00 0.00 C ATOM 521 C GLN A 37 4.561 0.457 8.163 1.00 0.00 C ATOM 522 O GLN A 37 4.113 1.153 7.254 1.00 0.00 O ATOM 523 CB GLN A 37 2.939 -1.113 9.288 1.00 0.00 C ATOM 524 CG GLN A 37 2.090 -2.347 8.977 1.00 0.00 C ATOM 525 CD GLN A 37 0.789 -2.335 9.783 1.00 0.00 C ATOM 526 OE1 GLN A 37 0.398 -1.336 10.364 1.00 0.00 O ATOM 527 NE2 GLN A 37 0.143 -3.497 9.785 1.00 0.00 N ATOM 0 H GLN A 37 4.988 -2.547 9.429 1.00 0.00 H new ATOM 0 HA GLN A 37 3.779 -1.361 7.346 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.311 -1.171 10.311 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.322 -0.217 9.224 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.862 -2.377 7.912 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.656 -3.250 9.207 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.526 -4.294 9.277 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.736 -3.591 10.294 1.00 0.00 H new ATOM 536 N ALA A 38 5.437 0.873 9.066 1.00 0.00 N ATOM 537 CA ALA A 38 5.947 2.234 9.041 1.00 0.00 C ATOM 538 C ALA A 38 6.806 2.429 7.790 1.00 0.00 C ATOM 539 O ALA A 38 6.496 3.267 6.945 1.00 0.00 O ATOM 540 CB ALA A 38 6.723 2.512 10.330 1.00 0.00 C ATOM 0 H ALA A 38 5.806 0.292 9.819 1.00 0.00 H new ATOM 0 HA ALA A 38 5.127 2.950 8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.106 3.532 10.311 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.061 2.388 11.187 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.556 1.814 10.411 1.00 0.00 H new ATOM 546 N VAL A 39 7.869 1.642 7.712 1.00 0.00 N ATOM 547 CA VAL A 39 8.774 1.718 6.579 1.00 0.00 C ATOM 548 C VAL A 39 7.962 1.860 5.290 1.00 0.00 C ATOM 549 O VAL A 39 8.249 2.722 4.462 1.00 0.00 O ATOM 550 CB VAL A 39 9.704 0.503 6.569 1.00 0.00 C ATOM 551 CG1 VAL A 39 10.258 0.248 5.166 1.00 0.00 C ATOM 552 CG2 VAL A 39 10.836 0.670 7.584 1.00 0.00 C ATOM 0 H VAL A 39 8.123 0.949 8.415 1.00 0.00 H new ATOM 0 HA VAL A 39 9.412 2.598 6.659 1.00 0.00 H new ATOM 0 HB VAL A 39 9.119 -0.369 6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 39 10.916 -0.621 5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.434 0.062 4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.820 1.121 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.482 -0.207 7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.419 1.557 7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.415 0.779 8.584 1.00 0.00 H new ATOM 562 N PHE A 40 6.962 0.999 5.161 1.00 0.00 N ATOM 563 CA PHE A 40 6.106 1.018 3.988 1.00 0.00 C ATOM 564 C PHE A 40 5.269 2.298 3.939 1.00 0.00 C ATOM 565 O PHE A 40 5.414 3.104 3.021 1.00 0.00 O ATOM 566 CB PHE A 40 5.168 -0.186 4.100 1.00 0.00 C ATOM 567 CG PHE A 40 4.085 -0.234 3.019 1.00 0.00 C ATOM 568 CD1 PHE A 40 2.890 0.381 3.226 1.00 0.00 C ATOM 569 CD2 PHE A 40 4.319 -0.892 1.852 1.00 0.00 C ATOM 570 CE1 PHE A 40 1.886 0.336 2.223 1.00 0.00 C ATOM 571 CE2 PHE A 40 3.314 -0.937 0.849 1.00 0.00 C ATOM 572 CZ PHE A 40 2.119 -0.322 1.056 1.00 0.00 C ATOM 0 H PHE A 40 6.726 0.284 5.850 1.00 0.00 H new ATOM 0 HA PHE A 40 6.714 0.979 3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.759 -1.100 4.048 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.689 -0.171 5.079 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.705 0.903 4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.268 -1.380 1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.937 0.825 2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.499 -1.460 -0.078 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.355 -0.356 0.294 1.00 0.00 H new ATOM 582 N ALA A 41 4.412 2.445 4.939 1.00 0.00 N ATOM 583 CA ALA A 41 3.553 3.614 5.022 1.00 0.00 C ATOM 584 C ALA A 41 4.341 4.853 4.591 1.00 0.00 C ATOM 585 O ALA A 41 3.769 5.802 4.057 1.00 0.00 O ATOM 586 CB ALA A 41 2.999 3.741 6.442 1.00 0.00 C ATOM 0 H ALA A 41 4.294 1.774 5.698 1.00 0.00 H new ATOM 0 HA ALA A 41 2.702 3.513 4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.355 4.618 6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.423 2.849 6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.824 3.846 7.146 1.00 0.00 H new ATOM 592 N ARG A 42 5.641 4.803 4.838 1.00 0.00 N ATOM 593 CA ARG A 42 6.514 5.910 4.483 1.00 0.00 C ATOM 594 C ARG A 42 6.751 5.934 2.971 1.00 0.00 C ATOM 595 O ARG A 42 6.489 6.940 2.314 1.00 0.00 O ATOM 596 CB ARG A 42 7.860 5.803 5.202 1.00 0.00 C ATOM 597 CG ARG A 42 8.755 6.998 4.869 1.00 0.00 C ATOM 598 CD ARG A 42 9.579 6.732 3.607 1.00 0.00 C ATOM 599 NE ARG A 42 10.942 7.286 3.766 1.00 0.00 N ATOM 600 CZ ARG A 42 11.212 8.592 3.891 1.00 0.00 C ATOM 601 NH1 ARG A 42 10.215 9.487 3.876 1.00 0.00 N ATOM 602 NH2 ARG A 42 12.480 9.004 4.030 1.00 0.00 N ATOM 0 H ARG A 42 6.112 4.013 5.280 1.00 0.00 H new ATOM 0 HA ARG A 42 6.023 6.833 4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.698 5.754 6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.359 4.878 4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.142 7.888 4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.422 7.202 5.707 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.633 5.660 3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.092 7.184 2.743 1.00 0.00 H new ATOM 0 HE ARG A 42 11.725 6.632 3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.250 9.174 3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.421 10.481 3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.239 8.323 4.041 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.686 9.999 4.125 1.00 0.00 H new ATOM 616 N VAL A 43 7.244 4.814 2.464 1.00 0.00 N ATOM 617 CA VAL A 43 7.519 4.694 1.042 1.00 0.00 C ATOM 618 C VAL A 43 6.217 4.389 0.299 1.00 0.00 C ATOM 619 O VAL A 43 6.225 4.173 -0.912 1.00 0.00 O ATOM 620 CB VAL A 43 8.603 3.640 0.806 1.00 0.00 C ATOM 621 CG1 VAL A 43 9.833 3.914 1.674 1.00 0.00 C ATOM 622 CG2 VAL A 43 8.061 2.231 1.053 1.00 0.00 C ATOM 0 H VAL A 43 7.460 3.981 3.012 1.00 0.00 H new ATOM 0 HA VAL A 43 7.906 5.633 0.647 1.00 0.00 H new ATOM 0 HB VAL A 43 8.909 3.703 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.588 3.150 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.240 4.895 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.548 3.892 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.852 1.501 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.714 2.150 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.231 2.036 0.374 1.00 0.00 H new ATOM 632 N ALA A 44 5.129 4.381 1.055 1.00 0.00 N ATOM 633 CA ALA A 44 3.822 4.107 0.483 1.00 0.00 C ATOM 634 C ALA A 44 3.082 5.426 0.256 1.00 0.00 C ATOM 635 O ALA A 44 2.685 5.734 -0.866 1.00 0.00 O ATOM 636 CB ALA A 44 3.052 3.157 1.403 1.00 0.00 C ATOM 0 H ALA A 44 5.126 4.560 2.059 1.00 0.00 H new ATOM 0 HA ALA A 44 3.922 3.615 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.071 2.951 0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.605 2.224 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.930 3.619 2.383 1.00 0.00 H new ATOM 642 N PHE A 45 2.918 6.170 1.340 1.00 0.00 N ATOM 643 CA PHE A 45 2.233 7.449 1.274 1.00 0.00 C ATOM 644 C PHE A 45 2.795 8.427 2.308 1.00 0.00 C ATOM 645 O PHE A 45 2.105 9.354 2.730 1.00 0.00 O ATOM 646 CB PHE A 45 0.759 7.184 1.588 1.00 0.00 C ATOM 647 CG PHE A 45 0.533 6.081 2.624 1.00 0.00 C ATOM 648 CD1 PHE A 45 0.776 4.783 2.298 1.00 0.00 C ATOM 649 CD2 PHE A 45 0.088 6.398 3.869 1.00 0.00 C ATOM 650 CE1 PHE A 45 0.566 3.759 3.259 1.00 0.00 C ATOM 651 CE2 PHE A 45 -0.122 5.374 4.830 1.00 0.00 C ATOM 652 CZ PHE A 45 0.121 4.076 4.505 1.00 0.00 C ATOM 0 H PHE A 45 3.248 5.911 2.270 1.00 0.00 H new ATOM 0 HA PHE A 45 2.366 7.891 0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.303 8.106 1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.244 6.914 0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.129 4.531 1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.106 7.429 4.127 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.760 2.728 3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.475 5.626 5.819 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.039 3.297 5.236 1.00 0.00 H new ATOM 662 N ASN A 46 4.042 8.187 2.685 1.00 0.00 N ATOM 663 CA ASN A 46 4.704 9.035 3.662 1.00 0.00 C ATOM 664 C ASN A 46 3.851 9.108 4.930 1.00 0.00 C ATOM 665 O ASN A 46 3.343 10.172 5.280 1.00 0.00 O ATOM 666 CB ASN A 46 4.879 10.458 3.127 1.00 0.00 C ATOM 667 CG ASN A 46 6.243 10.627 2.455 1.00 0.00 C ATOM 668 OD1 ASN A 46 7.000 11.538 2.748 1.00 0.00 O ATOM 669 ND2 ASN A 46 6.514 9.701 1.540 1.00 0.00 N ATOM 0 H ASN A 46 4.611 7.418 2.332 1.00 0.00 H new ATOM 0 HA ASN A 46 5.683 8.606 3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.087 10.682 2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.781 11.172 3.944 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.400 9.727 1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.836 8.965 1.343 1.00 0.00 H new ATOM 676 N ARG A 47 3.720 7.963 5.583 1.00 0.00 N ATOM 677 CA ARG A 47 2.937 7.884 6.805 1.00 0.00 C ATOM 678 C ARG A 47 3.671 7.044 7.852 1.00 0.00 C ATOM 679 O ARG A 47 4.786 6.582 7.612 1.00 0.00 O ATOM 680 CB ARG A 47 1.562 7.266 6.539 1.00 0.00 C ATOM 681 CG ARG A 47 0.492 8.351 6.400 1.00 0.00 C ATOM 682 CD ARG A 47 0.241 9.048 7.739 1.00 0.00 C ATOM 683 NE ARG A 47 -0.603 10.247 7.535 1.00 0.00 N ATOM 684 CZ ARG A 47 -0.789 11.200 8.458 1.00 0.00 C ATOM 685 NH1 ARG A 47 -0.193 11.100 9.654 1.00 0.00 N ATOM 686 NH2 ARG A 47 -1.572 12.253 8.185 1.00 0.00 N ATOM 0 H ARG A 47 4.143 7.082 5.289 1.00 0.00 H new ATOM 0 HA ARG A 47 2.801 8.899 7.178 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.598 6.667 5.629 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.298 6.592 7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.807 9.084 5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.435 7.908 6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.249 8.361 8.430 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.190 9.334 8.193 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.072 10.354 6.636 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.402 10.298 9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.335 11.826 10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.026 12.329 7.275 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.714 12.979 8.888 1.00 0.00 H new ATOM 700 N THR A 48 3.017 6.873 8.991 1.00 0.00 N ATOM 701 CA THR A 48 3.594 6.097 10.076 1.00 0.00 C ATOM 702 C THR A 48 2.985 4.694 10.111 1.00 0.00 C ATOM 703 O THR A 48 2.564 4.170 9.081 1.00 0.00 O ATOM 704 CB THR A 48 3.393 6.880 11.376 1.00 0.00 C ATOM 705 OG1 THR A 48 1.978 6.914 11.545 1.00 0.00 O ATOM 706 CG2 THR A 48 3.788 8.352 11.240 1.00 0.00 C ATOM 0 H THR A 48 2.093 7.258 9.187 1.00 0.00 H new ATOM 0 HA THR A 48 4.664 5.949 9.931 1.00 0.00 H new ATOM 0 HB THR A 48 3.979 6.419 12.172 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.758 7.402 12.366 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.626 8.861 12.190 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.840 8.422 10.965 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.179 8.822 10.468 1.00 0.00 H new ATOM 714 N GLN A 49 2.957 4.126 11.308 1.00 0.00 N ATOM 715 CA GLN A 49 2.406 2.794 11.491 1.00 0.00 C ATOM 716 C GLN A 49 1.026 2.875 12.145 1.00 0.00 C ATOM 717 O GLN A 49 0.051 2.345 11.614 1.00 0.00 O ATOM 718 CB GLN A 49 3.352 1.918 12.315 1.00 0.00 C ATOM 719 CG GLN A 49 2.700 0.577 12.657 1.00 0.00 C ATOM 720 CD GLN A 49 3.563 -0.218 13.639 1.00 0.00 C ATOM 721 OE1 GLN A 49 3.858 0.218 14.739 1.00 0.00 O ATOM 722 NE2 GLN A 49 3.949 -1.405 13.181 1.00 0.00 N ATOM 0 H GLN A 49 3.307 4.564 12.160 1.00 0.00 H new ATOM 0 HA GLN A 49 2.295 2.331 10.511 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.273 1.747 11.758 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.627 2.437 13.233 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.714 0.748 13.090 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.552 -0.002 11.746 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.666 -1.709 12.249 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.528 -2.012 13.761 1.00 0.00 H new ATOM 731 N GLY A 50 0.986 3.543 13.288 1.00 0.00 N ATOM 732 CA GLY A 50 -0.259 3.701 14.021 1.00 0.00 C ATOM 733 C GLY A 50 -1.423 3.984 13.068 1.00 0.00 C ATOM 734 O GLY A 50 -2.514 3.443 13.238 1.00 0.00 O ATOM 0 H GLY A 50 1.796 3.982 13.725 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.465 2.797 14.594 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.163 4.518 14.737 1.00 0.00 H new ATOM 738 N LEU A 51 -1.150 4.833 12.088 1.00 0.00 N ATOM 739 CA LEU A 51 -2.161 5.195 11.109 1.00 0.00 C ATOM 740 C LEU A 51 -2.449 3.990 10.211 1.00 0.00 C ATOM 741 O LEU A 51 -3.545 3.433 10.247 1.00 0.00 O ATOM 742 CB LEU A 51 -1.737 6.448 10.340 1.00 0.00 C ATOM 743 CG LEU A 51 -2.540 6.763 9.076 1.00 0.00 C ATOM 744 CD1 LEU A 51 -1.989 5.997 7.872 1.00 0.00 C ATOM 745 CD2 LEU A 51 -4.031 6.495 9.293 1.00 0.00 C ATOM 0 H LEU A 51 -0.244 5.280 11.951 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.096 5.455 11.605 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.805 7.303 11.012 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.688 6.343 10.063 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.432 7.826 8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.577 6.239 6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.950 6.280 7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.047 4.926 8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.579 6.727 8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.179 5.446 9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.399 7.121 10.106 1.00 0.00 H new ATOM 757 N LEU A 52 -1.447 3.625 9.426 1.00 0.00 N ATOM 758 CA LEU A 52 -1.579 2.497 8.520 1.00 0.00 C ATOM 759 C LEU A 52 -2.278 1.345 9.245 1.00 0.00 C ATOM 760 O LEU A 52 -3.229 0.764 8.722 1.00 0.00 O ATOM 761 CB LEU A 52 -0.217 2.117 7.934 1.00 0.00 C ATOM 762 CG LEU A 52 -0.158 0.787 7.180 1.00 0.00 C ATOM 763 CD1 LEU A 52 -1.036 0.828 5.927 1.00 0.00 C ATOM 764 CD2 LEU A 52 1.287 0.405 6.854 1.00 0.00 C ATOM 0 H LEU A 52 -0.540 4.090 9.398 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.204 2.765 7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.099 2.910 7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.509 2.084 8.746 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.558 0.008 7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.976 -0.129 5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.070 1.022 6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.688 1.621 5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.300 -0.544 6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.737 1.179 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.855 0.307 7.779 1.00 0.00 H new ATOM 776 N SER A 53 -1.782 1.050 10.437 1.00 0.00 N ATOM 777 CA SER A 53 -2.347 -0.022 11.239 1.00 0.00 C ATOM 778 C SER A 53 -3.867 0.133 11.322 1.00 0.00 C ATOM 779 O SER A 53 -4.606 -0.822 11.086 1.00 0.00 O ATOM 780 CB SER A 53 -1.738 -0.040 12.642 1.00 0.00 C ATOM 781 OG SER A 53 -1.815 -1.331 13.241 1.00 0.00 O ATOM 0 H SER A 53 -0.995 1.535 10.867 1.00 0.00 H new ATOM 0 HA SER A 53 -2.110 -0.971 10.758 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.695 0.273 12.589 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.256 0.683 13.272 1.00 0.00 H new ATOM 0 HG SER A 53 -1.414 -1.301 14.135 1.00 0.00 H new ATOM 787 N GLU A 54 -4.289 1.343 11.659 1.00 0.00 N ATOM 788 CA GLU A 54 -5.707 1.635 11.776 1.00 0.00 C ATOM 789 C GLU A 54 -6.403 1.440 10.428 1.00 0.00 C ATOM 790 O GLU A 54 -7.592 1.128 10.378 1.00 0.00 O ATOM 791 CB GLU A 54 -5.933 3.052 12.309 1.00 0.00 C ATOM 792 CG GLU A 54 -6.297 4.013 11.175 1.00 0.00 C ATOM 793 CD GLU A 54 -6.037 5.464 11.583 1.00 0.00 C ATOM 794 OE1 GLU A 54 -5.215 5.657 12.504 1.00 0.00 O ATOM 795 OE2 GLU A 54 -6.667 6.349 10.963 1.00 0.00 O ATOM 0 H GLU A 54 -3.673 2.132 11.855 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.143 0.938 12.492 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.730 3.042 13.052 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.032 3.403 12.813 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.714 3.771 10.287 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.347 3.888 10.910 1.00 0.00 H new ATOM 802 N ILE A 55 -5.632 1.630 9.367 1.00 0.00 N ATOM 803 CA ILE A 55 -6.160 1.478 8.021 1.00 0.00 C ATOM 804 C ILE A 55 -6.299 -0.011 7.698 1.00 0.00 C ATOM 805 O ILE A 55 -7.059 -0.388 6.808 1.00 0.00 O ATOM 806 CB ILE A 55 -5.298 2.248 7.018 1.00 0.00 C ATOM 807 CG1 ILE A 55 -5.295 3.745 7.333 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.744 1.965 5.582 1.00 0.00 C ATOM 809 CD1 ILE A 55 -4.285 4.488 6.456 1.00 0.00 C ATOM 0 H ILE A 55 -4.646 1.888 9.412 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.157 1.914 7.950 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.270 1.898 7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.292 4.156 7.173 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.051 3.899 8.384 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.115 2.524 4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.652 0.899 5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.783 2.270 5.457 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.303 5.550 6.700 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.286 4.091 6.636 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.546 4.353 5.406 1.00 0.00 H new ATOM 821 N LEU A 56 -5.552 -0.817 8.438 1.00 0.00 N ATOM 822 CA LEU A 56 -5.583 -2.256 8.241 1.00 0.00 C ATOM 823 C LEU A 56 -6.530 -2.887 9.265 1.00 0.00 C ATOM 824 O LEU A 56 -6.916 -4.046 9.126 1.00 0.00 O ATOM 825 CB LEU A 56 -4.166 -2.832 8.278 1.00 0.00 C ATOM 826 CG LEU A 56 -3.191 -2.282 7.235 1.00 0.00 C ATOM 827 CD1 LEU A 56 -1.742 -2.453 7.695 1.00 0.00 C ATOM 828 CD2 LEU A 56 -3.437 -2.919 5.865 1.00 0.00 C ATOM 0 H LEU A 56 -4.922 -0.501 9.175 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.975 -2.497 7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.748 -2.652 9.268 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.231 -3.913 8.151 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.371 -1.212 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.070 -2.054 6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.592 -1.916 8.631 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.531 -3.512 7.846 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.731 -2.511 5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.301 -3.998 5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.455 -2.702 5.540 1.00 0.00 H new ATOM 840 N ARG A 57 -6.876 -2.095 10.269 1.00 0.00 N ATOM 841 CA ARG A 57 -7.770 -2.561 11.315 1.00 0.00 C ATOM 842 C ARG A 57 -9.218 -2.201 10.976 1.00 0.00 C ATOM 843 O ARG A 57 -10.115 -3.032 11.105 1.00 0.00 O ATOM 844 CB ARG A 57 -7.403 -1.948 12.668 1.00 0.00 C ATOM 845 CG ARG A 57 -6.169 -2.631 13.262 1.00 0.00 C ATOM 846 CD ARG A 57 -6.180 -2.548 14.790 1.00 0.00 C ATOM 847 NE ARG A 57 -5.019 -3.279 15.345 1.00 0.00 N ATOM 848 CZ ARG A 57 -4.792 -3.446 16.655 1.00 0.00 C ATOM 849 NH1 ARG A 57 -5.646 -2.935 17.553 1.00 0.00 N ATOM 850 NH2 ARG A 57 -3.712 -4.123 17.067 1.00 0.00 N ATOM 0 H ARG A 57 -6.553 -1.134 10.380 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.667 -3.644 11.380 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.211 -0.882 12.548 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.243 -2.045 13.355 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.142 -3.675 12.951 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.266 -2.159 12.875 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.149 -1.505 15.106 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.106 -2.971 15.179 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.349 -3.681 14.689 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.468 -2.419 17.239 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.474 -3.062 18.550 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.062 -4.511 16.383 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.539 -4.250 18.064 1.00 0.00 H new ATOM 864 N LYS A 58 -9.400 -0.960 10.547 1.00 0.00 N ATOM 865 CA LYS A 58 -10.723 -0.479 10.188 1.00 0.00 C ATOM 866 C LYS A 58 -11.002 -0.812 8.721 1.00 0.00 C ATOM 867 O LYS A 58 -12.128 -1.151 8.361 1.00 0.00 O ATOM 868 CB LYS A 58 -10.860 1.009 10.518 1.00 0.00 C ATOM 869 CG LYS A 58 -10.731 1.251 12.023 1.00 0.00 C ATOM 870 CD LYS A 58 -10.277 2.684 12.310 1.00 0.00 C ATOM 871 CE LYS A 58 -9.728 2.810 13.733 1.00 0.00 C ATOM 872 NZ LYS A 58 -10.734 3.430 14.624 1.00 0.00 N ATOM 0 H LYS A 58 -8.653 -0.274 10.440 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.486 -0.985 10.780 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.094 1.575 9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.825 1.375 10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.689 1.065 12.508 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.016 0.547 12.448 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.510 2.977 11.593 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.115 3.368 12.178 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.455 1.825 14.112 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.819 3.412 13.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.345 3.508 15.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.974 4.378 14.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.591 2.840 14.644 1.00 0.00 H new ATOM 886 N GLU A 59 -9.956 -0.705 7.914 1.00 0.00 N ATOM 887 CA GLU A 59 -10.074 -0.990 6.495 1.00 0.00 C ATOM 888 C GLU A 59 -11.129 -0.085 5.857 1.00 0.00 C ATOM 889 O GLU A 59 -11.975 -0.552 5.095 1.00 0.00 O ATOM 890 CB GLU A 59 -10.402 -2.466 6.258 1.00 0.00 C ATOM 891 CG GLU A 59 -9.204 -3.355 6.596 1.00 0.00 C ATOM 892 CD GLU A 59 -9.365 -4.748 5.984 1.00 0.00 C ATOM 893 OE1 GLU A 59 -9.258 -4.839 4.742 1.00 0.00 O ATOM 894 OE2 GLU A 59 -9.591 -5.691 6.773 1.00 0.00 O ATOM 0 H GLU A 59 -9.023 -0.425 8.217 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.114 -0.784 6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.257 -2.755 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.688 -2.616 5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.289 -2.894 6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.103 -3.439 7.678 1.00 0.00 H new ATOM 901 N GLU A 60 -11.045 1.195 6.191 1.00 0.00 N ATOM 902 CA GLU A 60 -11.983 2.170 5.660 1.00 0.00 C ATOM 903 C GLU A 60 -12.142 1.985 4.150 1.00 0.00 C ATOM 904 O GLU A 60 -11.258 2.356 3.379 1.00 0.00 O ATOM 905 CB GLU A 60 -11.539 3.595 5.995 1.00 0.00 C ATOM 906 CG GLU A 60 -12.582 4.306 6.860 1.00 0.00 C ATOM 907 CD GLU A 60 -12.917 5.686 6.292 1.00 0.00 C ATOM 908 OE1 GLU A 60 -12.026 6.561 6.365 1.00 0.00 O ATOM 909 OE2 GLU A 60 -14.055 5.836 5.798 1.00 0.00 O ATOM 0 H GLU A 60 -10.342 1.579 6.822 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.953 2.007 6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.584 3.568 6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.381 4.156 5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.487 3.702 6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.206 4.409 7.878 1.00 0.00 H new ATOM 916 N ASP A 61 -13.276 1.413 3.772 1.00 0.00 N ATOM 917 CA ASP A 61 -13.562 1.175 2.368 1.00 0.00 C ATOM 918 C ASP A 61 -13.168 2.410 1.555 1.00 0.00 C ATOM 919 O ASP A 61 -13.450 3.538 1.956 1.00 0.00 O ATOM 920 CB ASP A 61 -15.054 0.920 2.146 1.00 0.00 C ATOM 921 CG ASP A 61 -15.738 0.094 3.237 1.00 0.00 C ATOM 922 OD1 ASP A 61 -15.177 -0.969 3.580 1.00 0.00 O ATOM 923 OD2 ASP A 61 -16.807 0.544 3.703 1.00 0.00 O ATOM 0 H ASP A 61 -14.007 1.108 4.414 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.995 0.299 2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.563 1.880 2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.182 0.410 1.191 1.00 0.00 H new ATOM 928 N PRO A 62 -12.504 2.148 0.397 1.00 0.00 N ATOM 929 CA PRO A 62 -12.068 3.224 -0.476 1.00 0.00 C ATOM 930 C PRO A 62 -13.250 3.818 -1.247 1.00 0.00 C ATOM 931 O PRO A 62 -13.075 4.735 -2.047 1.00 0.00 O ATOM 932 CB PRO A 62 -11.023 2.596 -1.383 1.00 0.00 C ATOM 933 CG PRO A 62 -11.246 1.095 -1.299 1.00 0.00 C ATOM 934 CD PRO A 62 -12.153 0.824 -0.110 1.00 0.00 C ATOM 0 HA PRO A 62 -11.646 4.066 0.073 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.132 2.950 -2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.016 2.860 -1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.700 0.725 -2.218 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.296 0.574 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.041 0.266 -0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.644 0.231 0.650 1.00 0.00 H new ATOM 942 N ARG A 63 -14.426 3.270 -0.977 1.00 0.00 N ATOM 943 CA ARG A 63 -15.635 3.734 -1.635 1.00 0.00 C ATOM 944 C ARG A 63 -16.251 4.897 -0.855 1.00 0.00 C ATOM 945 O ARG A 63 -16.815 5.817 -1.447 1.00 0.00 O ATOM 946 CB ARG A 63 -16.664 2.608 -1.755 1.00 0.00 C ATOM 947 CG ARG A 63 -16.120 1.457 -2.604 1.00 0.00 C ATOM 948 CD ARG A 63 -16.280 1.754 -4.096 1.00 0.00 C ATOM 949 NE ARG A 63 -16.499 0.495 -4.843 1.00 0.00 N ATOM 950 CZ ARG A 63 -16.598 0.419 -6.177 1.00 0.00 C ATOM 951 NH1 ARG A 63 -16.499 1.530 -6.920 1.00 0.00 N ATOM 952 NH2 ARG A 63 -16.797 -0.767 -6.768 1.00 0.00 N ATOM 0 H ARG A 63 -14.567 2.510 -0.312 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.360 4.068 -2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -16.924 2.241 -0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -17.580 2.994 -2.203 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.067 1.295 -2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.646 0.536 -2.354 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.121 2.430 -4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -15.390 2.259 -4.472 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.580 -0.370 -4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -16.348 2.433 -6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.574 1.473 -7.936 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -16.873 -1.612 -6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.872 -0.824 -7.784 1.00 0.00 H new ATOM 966 N THR A 64 -16.123 4.819 0.461 1.00 0.00 N ATOM 967 CA THR A 64 -16.660 5.854 1.328 1.00 0.00 C ATOM 968 C THR A 64 -15.533 6.530 2.112 1.00 0.00 C ATOM 969 O THR A 64 -15.753 7.545 2.771 1.00 0.00 O ATOM 970 CB THR A 64 -17.724 5.216 2.223 1.00 0.00 C ATOM 971 OG1 THR A 64 -17.036 4.154 2.879 1.00 0.00 O ATOM 972 CG2 THR A 64 -18.818 4.509 1.419 1.00 0.00 C ATOM 0 H THR A 64 -15.655 4.055 0.948 1.00 0.00 H new ATOM 0 HA THR A 64 -17.134 6.648 0.750 1.00 0.00 H new ATOM 0 HB THR A 64 -18.174 5.983 2.854 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.653 3.687 3.481 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.548 4.074 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.314 5.229 0.769 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.372 3.720 0.813 1.00 0.00 H new ATOM 980 N ALA A 65 -14.351 5.940 2.015 1.00 0.00 N ATOM 981 CA ALA A 65 -13.190 6.473 2.707 1.00 0.00 C ATOM 982 C ALA A 65 -13.144 7.991 2.524 1.00 0.00 C ATOM 983 O ALA A 65 -13.716 8.523 1.574 1.00 0.00 O ATOM 984 CB ALA A 65 -11.926 5.785 2.188 1.00 0.00 C ATOM 0 H ALA A 65 -14.172 5.098 1.468 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.255 6.272 3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.055 6.185 2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.995 4.712 2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.826 5.967 1.118 1.00 0.00 H new ATOM 990 N SER A 66 -12.460 8.646 3.450 1.00 0.00 N ATOM 991 CA SER A 66 -12.333 10.093 3.403 1.00 0.00 C ATOM 992 C SER A 66 -11.128 10.485 2.544 1.00 0.00 C ATOM 993 O SER A 66 -10.152 9.742 2.463 1.00 0.00 O ATOM 994 CB SER A 66 -12.195 10.680 4.809 1.00 0.00 C ATOM 995 OG SER A 66 -10.863 11.107 5.082 1.00 0.00 O ATOM 0 H SER A 66 -11.988 8.202 4.237 1.00 0.00 H new ATOM 0 HA SER A 66 -13.239 10.501 2.955 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.876 11.524 4.917 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.494 9.933 5.544 1.00 0.00 H new ATOM 0 HG SER A 66 -10.817 11.477 5.988 1.00 0.00 H new ATOM 1001 N GLN A 67 -11.237 11.652 1.926 1.00 0.00 N ATOM 1002 CA GLN A 67 -10.170 12.151 1.076 1.00 0.00 C ATOM 1003 C GLN A 67 -8.810 11.905 1.733 1.00 0.00 C ATOM 1004 O GLN A 67 -7.890 11.396 1.093 1.00 0.00 O ATOM 1005 CB GLN A 67 -10.367 13.636 0.764 1.00 0.00 C ATOM 1006 CG GLN A 67 -10.838 13.834 -0.678 1.00 0.00 C ATOM 1007 CD GLN A 67 -11.172 15.303 -0.948 1.00 0.00 C ATOM 1008 OE1 GLN A 67 -10.451 16.211 -0.568 1.00 0.00 O ATOM 1009 NE2 GLN A 67 -12.303 15.484 -1.624 1.00 0.00 N ATOM 0 H GLN A 67 -12.048 12.266 1.997 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.200 11.608 0.131 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.098 14.062 1.451 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.431 14.172 0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.062 13.501 -1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.717 13.217 -0.866 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.859 14.679 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.614 16.428 -1.854 1.00 0.00 H new ATOM 1018 N SER A 68 -8.725 12.276 3.002 1.00 0.00 N ATOM 1019 CA SER A 68 -7.493 12.102 3.752 1.00 0.00 C ATOM 1020 C SER A 68 -6.968 10.677 3.572 1.00 0.00 C ATOM 1021 O SER A 68 -5.771 10.473 3.372 1.00 0.00 O ATOM 1022 CB SER A 68 -7.705 12.406 5.237 1.00 0.00 C ATOM 1023 OG SER A 68 -6.817 13.417 5.707 1.00 0.00 O ATOM 0 H SER A 68 -9.490 12.697 3.530 1.00 0.00 H new ATOM 0 HA SER A 68 -6.755 12.806 3.366 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.735 12.724 5.398 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.558 11.496 5.818 1.00 0.00 H new ATOM 0 HG SER A 68 -6.985 13.583 6.658 1.00 0.00 H new ATOM 1029 N LEU A 69 -7.888 9.727 3.649 1.00 0.00 N ATOM 1030 CA LEU A 69 -7.532 8.326 3.496 1.00 0.00 C ATOM 1031 C LEU A 69 -7.331 8.014 2.012 1.00 0.00 C ATOM 1032 O LEU A 69 -6.279 7.515 1.615 1.00 0.00 O ATOM 1033 CB LEU A 69 -8.570 7.432 4.177 1.00 0.00 C ATOM 1034 CG LEU A 69 -8.038 6.137 4.794 1.00 0.00 C ATOM 1035 CD1 LEU A 69 -9.110 5.456 5.648 1.00 0.00 C ATOM 1036 CD2 LEU A 69 -7.485 5.203 3.716 1.00 0.00 C ATOM 0 H LEU A 69 -8.879 9.899 3.815 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.587 8.117 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.060 8.010 4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.335 7.175 3.445 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.210 6.389 5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.706 4.538 6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.415 6.126 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.973 5.218 5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.113 4.290 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.277 4.954 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.670 5.699 3.188 1.00 0.00 H new ATOM 1048 N LEU A 70 -8.357 8.322 1.231 1.00 0.00 N ATOM 1049 CA LEU A 70 -8.306 8.081 -0.201 1.00 0.00 C ATOM 1050 C LEU A 70 -6.940 8.510 -0.738 1.00 0.00 C ATOM 1051 O LEU A 70 -6.305 7.773 -1.490 1.00 0.00 O ATOM 1052 CB LEU A 70 -9.484 8.761 -0.901 1.00 0.00 C ATOM 1053 CG LEU A 70 -10.693 7.872 -1.197 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -11.876 8.704 -1.699 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -10.325 6.753 -2.173 1.00 0.00 C ATOM 0 H LEU A 70 -9.228 8.736 1.563 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.411 7.017 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.815 9.596 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.128 9.181 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.004 7.398 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.722 8.048 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.156 9.433 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.593 9.224 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.202 6.136 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.974 7.187 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.537 6.137 -1.740 1.00 0.00 H new ATOM 1067 N VAL A 71 -6.527 9.702 -0.331 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.248 10.238 -0.762 1.00 0.00 C ATOM 1069 C VAL A 71 -4.156 9.192 -0.530 1.00 0.00 C ATOM 1070 O VAL A 71 -3.292 8.992 -1.381 1.00 0.00 O ATOM 1071 CB VAL A 71 -4.968 11.563 -0.048 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -3.465 11.838 0.028 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -5.704 12.718 -0.729 1.00 0.00 C ATOM 0 H VAL A 71 -7.056 10.311 0.293 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.267 10.457 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.345 11.481 0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.294 12.785 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.975 11.034 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.053 11.891 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.488 13.648 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.372 12.802 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.777 12.529 -0.707 1.00 0.00 H new ATOM 1083 N ASN A 72 -4.232 8.551 0.628 1.00 0.00 N ATOM 1084 CA ASN A 72 -3.261 7.530 0.983 1.00 0.00 C ATOM 1085 C ASN A 72 -3.532 6.268 0.162 1.00 0.00 C ATOM 1086 O ASN A 72 -2.616 5.703 -0.435 1.00 0.00 O ATOM 1087 CB ASN A 72 -3.366 7.163 2.464 1.00 0.00 C ATOM 1088 CG ASN A 72 -3.554 8.412 3.328 1.00 0.00 C ATOM 1089 OD1 ASN A 72 -3.111 9.499 2.997 1.00 0.00 O ATOM 1090 ND2 ASN A 72 -4.234 8.196 4.450 1.00 0.00 N ATOM 0 H ASN A 72 -4.951 8.719 1.332 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.266 7.925 0.779 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.204 6.483 2.615 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.466 6.633 2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.413 8.966 5.094 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.577 7.260 4.666 1.00 0.00 H new ATOM 1097 N LEU A 73 -4.793 5.862 0.158 1.00 0.00 N ATOM 1098 CA LEU A 73 -5.196 4.677 -0.580 1.00 0.00 C ATOM 1099 C LEU A 73 -4.580 4.719 -1.979 1.00 0.00 C ATOM 1100 O LEU A 73 -3.950 3.756 -2.414 1.00 0.00 O ATOM 1101 CB LEU A 73 -6.719 4.539 -0.582 1.00 0.00 C ATOM 1102 CG LEU A 73 -7.391 4.499 0.792 1.00 0.00 C ATOM 1103 CD1 LEU A 73 -8.915 4.478 0.656 1.00 0.00 C ATOM 1104 CD2 LEU A 73 -6.873 3.322 1.621 1.00 0.00 C ATOM 0 H LEU A 73 -5.550 6.333 0.654 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.819 3.778 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.139 5.372 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.981 3.627 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.128 5.411 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.368 4.450 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.246 5.374 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.218 3.595 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.366 3.316 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.086 2.388 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.797 3.421 1.761 1.00 0.00 H new ATOM 1116 N ARG A 74 -4.783 5.846 -2.647 1.00 0.00 N ATOM 1117 CA ARG A 74 -4.255 6.026 -3.989 1.00 0.00 C ATOM 1118 C ARG A 74 -2.729 5.918 -3.978 1.00 0.00 C ATOM 1119 O ARG A 74 -2.143 5.266 -4.841 1.00 0.00 O ATOM 1120 CB ARG A 74 -4.659 7.386 -4.561 1.00 0.00 C ATOM 1121 CG ARG A 74 -6.014 7.304 -5.267 1.00 0.00 C ATOM 1122 CD ARG A 74 -6.529 8.698 -5.629 1.00 0.00 C ATOM 1123 NE ARG A 74 -7.260 8.649 -6.915 1.00 0.00 N ATOM 1124 CZ ARG A 74 -7.868 9.705 -7.474 1.00 0.00 C ATOM 1125 NH1 ARG A 74 -7.837 10.897 -6.863 1.00 0.00 N ATOM 1126 NH2 ARG A 74 -8.508 9.567 -8.643 1.00 0.00 N ATOM 0 H ARG A 74 -5.306 6.643 -2.284 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.673 5.241 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.707 8.122 -3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.899 7.729 -5.263 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.922 6.701 -6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.735 6.803 -4.621 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.186 9.068 -4.842 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.695 9.395 -5.702 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.304 7.756 -7.407 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.351 11.001 -5.972 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.300 11.700 -7.288 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.532 8.659 -9.107 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.971 10.370 -9.069 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.128 6.567 -2.991 1.00 0.00 N ATOM 1141 CA ALA A 75 -0.682 6.552 -2.857 1.00 0.00 C ATOM 1142 C ALA A 75 -0.204 5.107 -2.697 1.00 0.00 C ATOM 1143 O ALA A 75 0.687 4.661 -3.417 1.00 0.00 O ATOM 1144 CB ALA A 75 -0.269 7.436 -1.679 1.00 0.00 C ATOM 0 H ALA A 75 -2.617 7.107 -2.277 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.210 6.959 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.816 7.425 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.606 8.457 -1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.722 7.057 -0.763 1.00 0.00 H new ATOM 1150 N MET A 76 -0.818 4.416 -1.748 1.00 0.00 N ATOM 1151 CA MET A 76 -0.467 3.031 -1.484 1.00 0.00 C ATOM 1152 C MET A 76 -0.528 2.196 -2.764 1.00 0.00 C ATOM 1153 O MET A 76 0.481 1.644 -3.199 1.00 0.00 O ATOM 1154 CB MET A 76 -1.429 2.448 -0.447 1.00 0.00 C ATOM 1155 CG MET A 76 -1.034 2.874 0.968 1.00 0.00 C ATOM 1156 SD MET A 76 -2.185 2.197 2.153 1.00 0.00 S ATOM 1157 CE MET A 76 -3.194 3.637 2.462 1.00 0.00 C ATOM 0 H MET A 76 -1.557 4.790 -1.152 1.00 0.00 H new ATOM 0 HA MET A 76 0.553 3.002 -1.102 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.445 2.781 -0.661 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.429 1.360 -0.517 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.024 2.530 1.192 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.023 3.962 1.040 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.032 3.363 3.102 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.595 4.402 2.956 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.572 4.026 1.517 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.724 2.130 -3.332 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.930 1.371 -4.554 1.00 0.00 C ATOM 1169 C GLN A 77 -0.948 1.828 -5.635 1.00 0.00 C ATOM 1170 O GLN A 77 -0.513 1.027 -6.462 1.00 0.00 O ATOM 1171 CB GLN A 77 -3.376 1.497 -5.040 1.00 0.00 C ATOM 1172 CG GLN A 77 -3.620 0.617 -6.267 1.00 0.00 C ATOM 1173 CD GLN A 77 -4.331 -0.681 -5.879 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -5.270 -0.696 -5.101 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -3.831 -1.767 -6.463 1.00 0.00 N ATOM 0 H GLN A 77 -2.559 2.589 -2.969 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.742 0.319 -4.341 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.059 1.210 -4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.592 2.537 -5.285 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.221 1.161 -6.995 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.669 0.385 -6.748 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.043 -1.684 -7.105 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.236 -2.683 -6.269 1.00 0.00 H new ATOM 1184 N ASN A 78 -0.626 3.112 -5.593 1.00 0.00 N ATOM 1185 CA ASN A 78 0.297 3.684 -6.558 1.00 0.00 C ATOM 1186 C ASN A 78 1.694 3.105 -6.326 1.00 0.00 C ATOM 1187 O ASN A 78 2.430 2.851 -7.278 1.00 0.00 O ATOM 1188 CB ASN A 78 0.384 5.204 -6.403 1.00 0.00 C ATOM 1189 CG ASN A 78 1.178 5.828 -7.553 1.00 0.00 C ATOM 1190 OD1 ASN A 78 1.405 5.220 -8.586 1.00 0.00 O ATOM 1191 ND2 ASN A 78 1.585 7.072 -7.317 1.00 0.00 N ATOM 0 H ASN A 78 -0.988 3.773 -4.905 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.067 3.443 -7.557 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.620 5.628 -6.377 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.859 5.450 -5.453 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.122 7.576 -8.023 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.360 7.522 -6.430 1.00 0.00 H new ATOM 1198 N PHE A 79 2.017 2.913 -5.056 1.00 0.00 N ATOM 1199 CA PHE A 79 3.313 2.369 -4.687 1.00 0.00 C ATOM 1200 C PHE A 79 3.368 0.862 -4.947 1.00 0.00 C ATOM 1201 O PHE A 79 4.414 0.330 -5.317 1.00 0.00 O ATOM 1202 CB PHE A 79 3.495 2.623 -3.189 1.00 0.00 C ATOM 1203 CG PHE A 79 4.777 2.022 -2.608 1.00 0.00 C ATOM 1204 CD1 PHE A 79 5.988 2.522 -2.971 1.00 0.00 C ATOM 1205 CD2 PHE A 79 4.704 0.988 -1.727 1.00 0.00 C ATOM 1206 CE1 PHE A 79 7.177 1.964 -2.431 1.00 0.00 C ATOM 1207 CE2 PHE A 79 5.893 0.431 -1.187 1.00 0.00 C ATOM 1208 CZ PHE A 79 7.104 0.930 -1.550 1.00 0.00 C ATOM 0 H PHE A 79 1.404 3.124 -4.269 1.00 0.00 H new ATOM 0 HA PHE A 79 4.097 2.842 -5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.497 3.698 -3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.638 2.212 -2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.046 3.343 -3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.742 0.591 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.139 2.361 -2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.835 -0.390 -0.487 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.008 0.506 -1.139 1.00 0.00 H new ATOM 1218 N LEU A 80 2.230 0.216 -4.742 1.00 0.00 N ATOM 1219 CA LEU A 80 2.135 -1.219 -4.950 1.00 0.00 C ATOM 1220 C LEU A 80 2.208 -1.519 -6.448 1.00 0.00 C ATOM 1221 O LEU A 80 2.368 -2.672 -6.847 1.00 0.00 O ATOM 1222 CB LEU A 80 0.883 -1.777 -4.271 1.00 0.00 C ATOM 1223 CG LEU A 80 0.798 -1.584 -2.756 1.00 0.00 C ATOM 1224 CD1 LEU A 80 -0.606 -1.907 -2.239 1.00 0.00 C ATOM 1225 CD2 LEU A 80 1.875 -2.400 -2.038 1.00 0.00 C ATOM 0 H LEU A 80 1.365 0.660 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 80 2.977 -1.728 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.009 -1.311 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.823 -2.844 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 80 0.988 -0.534 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.639 -1.762 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.330 -1.247 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.850 -2.943 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.792 -2.245 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.741 -3.458 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.860 -2.079 -2.376 1.00 0.00 H new ATOM 1237 N ASN A 81 2.088 -0.462 -7.238 1.00 0.00 N ATOM 1238 CA ASN A 81 2.139 -0.598 -8.683 1.00 0.00 C ATOM 1239 C ASN A 81 3.598 -0.570 -9.143 1.00 0.00 C ATOM 1240 O ASN A 81 3.942 -1.163 -10.164 1.00 0.00 O ATOM 1241 CB ASN A 81 1.404 0.554 -9.371 1.00 0.00 C ATOM 1242 CG ASN A 81 -0.105 0.463 -9.133 1.00 0.00 C ATOM 1243 OD1 ASN A 81 -0.647 -0.584 -8.817 1.00 0.00 O ATOM 1244 ND2 ASN A 81 -0.750 1.613 -9.300 1.00 0.00 N ATOM 0 H ASN A 81 1.956 0.493 -6.904 1.00 0.00 H new ATOM 0 HA ASN A 81 1.662 -1.541 -8.950 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.778 1.506 -8.994 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.609 0.533 -10.441 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.760 1.656 -9.163 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.235 2.453 -9.565 1.00 0.00 H new ATOM 1251 N LEU A 82 4.416 0.126 -8.367 1.00 0.00 N ATOM 1252 CA LEU A 82 5.830 0.239 -8.682 1.00 0.00 C ATOM 1253 C LEU A 82 6.382 -1.143 -9.037 1.00 0.00 C ATOM 1254 O LEU A 82 5.747 -2.159 -8.759 1.00 0.00 O ATOM 1255 CB LEU A 82 6.580 0.925 -7.538 1.00 0.00 C ATOM 1256 CG LEU A 82 6.598 2.455 -7.570 1.00 0.00 C ATOM 1257 CD1 LEU A 82 7.534 3.015 -6.498 1.00 0.00 C ATOM 1258 CD2 LEU A 82 6.953 2.970 -8.967 1.00 0.00 C ATOM 0 H LEU A 82 4.127 0.617 -7.521 1.00 0.00 H new ATOM 0 HA LEU A 82 5.976 0.875 -9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.135 0.606 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.610 0.569 -7.540 1.00 0.00 H new ATOM 0 HG LEU A 82 5.595 2.813 -7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.528 4.104 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.196 2.690 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.546 2.650 -6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.959 4.060 -8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.939 2.603 -9.250 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.214 2.614 -9.685 1.00 0.00 H new ATOM 1270 N PRO A 83 7.589 -1.136 -9.663 1.00 0.00 N ATOM 1271 CA PRO A 83 8.233 -2.377 -10.060 1.00 0.00 C ATOM 1272 C PRO A 83 8.826 -3.098 -8.848 1.00 0.00 C ATOM 1273 O PRO A 83 9.499 -2.482 -8.022 1.00 0.00 O ATOM 1274 CB PRO A 83 9.283 -1.967 -11.079 1.00 0.00 C ATOM 1275 CG PRO A 83 9.505 -0.477 -10.873 1.00 0.00 C ATOM 1276 CD PRO A 83 8.370 0.048 -10.009 1.00 0.00 C ATOM 0 HA PRO A 83 7.535 -3.093 -10.493 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.208 -2.524 -10.932 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.944 -2.175 -12.094 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.466 -0.297 -10.391 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.527 0.042 -11.831 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.749 0.547 -9.117 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.766 0.777 -10.549 1.00 0.00 H new ATOM 1284 N GLU A 84 8.556 -4.394 -8.779 1.00 0.00 N ATOM 1285 CA GLU A 84 9.055 -5.205 -7.682 1.00 0.00 C ATOM 1286 C GLU A 84 10.523 -4.877 -7.403 1.00 0.00 C ATOM 1287 O GLU A 84 10.937 -4.802 -6.247 1.00 0.00 O ATOM 1288 CB GLU A 84 8.873 -6.696 -7.976 1.00 0.00 C ATOM 1289 CG GLU A 84 9.321 -7.548 -6.787 1.00 0.00 C ATOM 1290 CD GLU A 84 8.965 -9.020 -7.002 1.00 0.00 C ATOM 1291 OE1 GLU A 84 7.787 -9.277 -7.330 1.00 0.00 O ATOM 1292 OE2 GLU A 84 9.879 -9.855 -6.833 1.00 0.00 O ATOM 0 H GLU A 84 7.998 -4.902 -9.465 1.00 0.00 H new ATOM 0 HA GLU A 84 8.475 -4.970 -6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.826 -6.901 -8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.448 -6.969 -8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.397 -7.447 -6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.846 -7.185 -5.875 1.00 0.00 H new ATOM 1299 N VAL A 85 11.269 -4.689 -8.482 1.00 0.00 N ATOM 1300 CA VAL A 85 12.682 -4.371 -8.368 1.00 0.00 C ATOM 1301 C VAL A 85 12.846 -3.084 -7.556 1.00 0.00 C ATOM 1302 O VAL A 85 13.755 -2.976 -6.734 1.00 0.00 O ATOM 1303 CB VAL A 85 13.313 -4.285 -9.759 1.00 0.00 C ATOM 1304 CG1 VAL A 85 12.680 -5.300 -10.712 1.00 0.00 C ATOM 1305 CG2 VAL A 85 13.209 -2.865 -10.321 1.00 0.00 C ATOM 0 H VAL A 85 10.921 -4.751 -9.439 1.00 0.00 H new ATOM 0 HA VAL A 85 13.210 -5.162 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 85 14.371 -4.531 -9.663 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.147 -5.218 -11.694 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.829 -6.307 -10.323 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.612 -5.100 -10.800 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.665 -2.831 -11.310 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.160 -2.579 -10.395 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.728 -2.173 -9.658 1.00 0.00 H new ATOM 1315 N GLU A 86 11.953 -2.141 -7.815 1.00 0.00 N ATOM 1316 CA GLU A 86 11.987 -0.866 -7.119 1.00 0.00 C ATOM 1317 C GLU A 86 11.596 -1.052 -5.651 1.00 0.00 C ATOM 1318 O GLU A 86 12.375 -0.737 -4.753 1.00 0.00 O ATOM 1319 CB GLU A 86 11.079 0.157 -7.803 1.00 0.00 C ATOM 1320 CG GLU A 86 11.891 1.110 -8.683 1.00 0.00 C ATOM 1321 CD GLU A 86 13.008 1.779 -7.881 1.00 0.00 C ATOM 1322 OE1 GLU A 86 12.665 2.621 -7.024 1.00 0.00 O ATOM 1323 OE2 GLU A 86 14.181 1.433 -8.143 1.00 0.00 O ATOM 0 H GLU A 86 11.201 -2.234 -8.498 1.00 0.00 H new ATOM 0 HA GLU A 86 13.006 -0.481 -7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.336 -0.360 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.535 0.727 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.319 0.561 -9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.234 1.871 -9.103 1.00 0.00 H new ATOM 1330 N ARG A 87 10.390 -1.562 -5.453 1.00 0.00 N ATOM 1331 CA ARG A 87 9.886 -1.794 -4.110 1.00 0.00 C ATOM 1332 C ARG A 87 10.957 -2.466 -3.250 1.00 0.00 C ATOM 1333 O ARG A 87 11.221 -2.033 -2.130 1.00 0.00 O ATOM 1334 CB ARG A 87 8.635 -2.675 -4.136 1.00 0.00 C ATOM 1335 CG ARG A 87 7.618 -2.153 -5.153 1.00 0.00 C ATOM 1336 CD ARG A 87 6.187 -2.357 -4.651 1.00 0.00 C ATOM 1337 NE ARG A 87 5.613 -3.586 -5.243 1.00 0.00 N ATOM 1338 CZ ARG A 87 5.789 -4.815 -4.740 1.00 0.00 C ATOM 1339 NH1 ARG A 87 6.524 -4.987 -3.633 1.00 0.00 N ATOM 1340 NH2 ARG A 87 5.230 -5.873 -5.345 1.00 0.00 N ATOM 0 H ARG A 87 9.746 -1.821 -6.201 1.00 0.00 H new ATOM 0 HA ARG A 87 9.626 -0.826 -3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.912 -3.699 -4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.183 -2.700 -3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.795 -1.094 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.751 -2.669 -6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.181 -2.430 -3.563 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.574 -1.495 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 87 5.048 -3.491 -6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.950 -4.182 -3.173 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.658 -5.923 -3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.671 -5.742 -6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.364 -6.809 -4.962 1.00 0.00 H new ATOM 1354 N ASP A 88 11.546 -3.515 -3.807 1.00 0.00 N ATOM 1355 CA ASP A 88 12.583 -4.252 -3.105 1.00 0.00 C ATOM 1356 C ASP A 88 13.660 -3.276 -2.626 1.00 0.00 C ATOM 1357 O ASP A 88 14.094 -3.341 -1.477 1.00 0.00 O ATOM 1358 CB ASP A 88 13.248 -5.277 -4.024 1.00 0.00 C ATOM 1359 CG ASP A 88 12.793 -6.723 -3.817 1.00 0.00 C ATOM 1360 OD1 ASP A 88 11.562 -6.921 -3.717 1.00 0.00 O ATOM 1361 OD2 ASP A 88 13.684 -7.597 -3.764 1.00 0.00 O ATOM 0 H ASP A 88 11.324 -3.872 -4.737 1.00 0.00 H new ATOM 0 HA ASP A 88 12.120 -4.769 -2.265 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.053 -4.995 -5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.327 -5.227 -3.878 1.00 0.00 H new ATOM 1366 N ARG A 89 14.060 -2.396 -3.531 1.00 0.00 N ATOM 1367 CA ARG A 89 15.078 -1.408 -3.215 1.00 0.00 C ATOM 1368 C ARG A 89 14.504 -0.330 -2.295 1.00 0.00 C ATOM 1369 O ARG A 89 15.071 -0.042 -1.242 1.00 0.00 O ATOM 1370 CB ARG A 89 15.619 -0.749 -4.486 1.00 0.00 C ATOM 1371 CG ARG A 89 17.077 -1.144 -4.730 1.00 0.00 C ATOM 1372 CD ARG A 89 17.412 -1.108 -6.223 1.00 0.00 C ATOM 1373 NE ARG A 89 18.855 -1.369 -6.424 1.00 0.00 N ATOM 1374 CZ ARG A 89 19.824 -0.489 -6.137 1.00 0.00 C ATOM 1375 NH1 ARG A 89 19.511 0.713 -5.634 1.00 0.00 N ATOM 1376 NH2 ARG A 89 21.107 -0.812 -6.352 1.00 0.00 N ATOM 0 H ARG A 89 13.698 -2.346 -4.483 1.00 0.00 H new ATOM 0 HA ARG A 89 15.895 -1.924 -2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.010 -1.045 -5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.542 0.335 -4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.737 -0.466 -4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.257 -2.145 -4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.821 -1.854 -6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.148 -0.136 -6.640 1.00 0.00 H new ATOM 0 HE ARG A 89 19.129 -2.275 -6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.535 0.958 -5.469 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.249 1.382 -5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.345 -1.727 -6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.845 -0.143 -6.134 1.00 0.00 H new ATOM 1390 N ILE A 90 13.387 0.238 -2.725 1.00 0.00 N ATOM 1391 CA ILE A 90 12.730 1.278 -1.952 1.00 0.00 C ATOM 1392 C ILE A 90 12.716 0.879 -0.476 1.00 0.00 C ATOM 1393 O ILE A 90 13.142 1.649 0.384 1.00 0.00 O ATOM 1394 CB ILE A 90 11.342 1.574 -2.523 1.00 0.00 C ATOM 1395 CG1 ILE A 90 11.441 2.140 -3.941 1.00 0.00 C ATOM 1396 CG2 ILE A 90 10.551 2.495 -1.592 1.00 0.00 C ATOM 1397 CD1 ILE A 90 10.063 2.200 -4.605 1.00 0.00 C ATOM 0 H ILE A 90 12.920 -0.003 -3.599 1.00 0.00 H new ATOM 0 HA ILE A 90 13.285 2.214 -2.024 1.00 0.00 H new ATOM 0 HB ILE A 90 10.793 0.635 -2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 90 11.877 3.139 -3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 90 12.110 1.520 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.568 2.690 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.434 2.016 -0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.087 3.437 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.162 2.606 -5.612 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.641 1.197 -4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.404 2.840 -4.019 1.00 0.00 H new ATOM 1409 N TYR A 91 12.222 -0.325 -0.226 1.00 0.00 N ATOM 1410 CA TYR A 91 12.146 -0.836 1.132 1.00 0.00 C ATOM 1411 C TYR A 91 13.532 -0.881 1.779 1.00 0.00 C ATOM 1412 O TYR A 91 13.701 -0.468 2.925 1.00 0.00 O ATOM 1413 CB TYR A 91 11.604 -2.261 1.017 1.00 0.00 C ATOM 1414 CG TYR A 91 10.156 -2.339 0.528 1.00 0.00 C ATOM 1415 CD1 TYR A 91 9.204 -1.489 1.054 1.00 0.00 C ATOM 1416 CD2 TYR A 91 9.802 -3.258 -0.439 1.00 0.00 C ATOM 1417 CE1 TYR A 91 7.841 -1.562 0.594 1.00 0.00 C ATOM 1418 CE2 TYR A 91 8.440 -3.330 -0.899 1.00 0.00 C ATOM 1419 CZ TYR A 91 7.526 -2.478 -0.360 1.00 0.00 C ATOM 1420 OH TYR A 91 6.240 -2.547 -0.795 1.00 0.00 O ATOM 0 H TYR A 91 11.870 -0.961 -0.941 1.00 0.00 H new ATOM 0 HA TYR A 91 11.513 -0.197 1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.238 -2.826 0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.674 -2.745 1.991 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.481 -0.769 1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.547 -3.923 -0.850 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.086 -0.904 0.998 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.150 -4.044 -1.655 1.00 0.00 H new ATOM 0 HH TYR A 91 6.040 -1.764 -1.349 1.00 0.00 H new ATOM 1430 N GLN A 92 14.490 -1.387 1.015 1.00 0.00 N ATOM 1431 CA GLN A 92 15.856 -1.491 1.499 1.00 0.00 C ATOM 1432 C GLN A 92 16.415 -0.103 1.816 1.00 0.00 C ATOM 1433 O GLN A 92 17.068 0.088 2.840 1.00 0.00 O ATOM 1434 CB GLN A 92 16.742 -2.221 0.487 1.00 0.00 C ATOM 1435 CG GLN A 92 18.220 -2.097 0.862 1.00 0.00 C ATOM 1436 CD GLN A 92 18.548 -2.952 2.088 1.00 0.00 C ATOM 1437 OE1 GLN A 92 18.152 -2.660 3.204 1.00 0.00 O ATOM 1438 NE2 GLN A 92 19.292 -4.021 1.818 1.00 0.00 N ATOM 0 H GLN A 92 14.347 -1.729 0.065 1.00 0.00 H new ATOM 0 HA GLN A 92 15.851 -2.077 2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.461 -3.273 0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.580 -1.808 -0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.840 -2.408 0.021 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.461 -1.054 1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 92 19.590 -4.207 0.860 1.00 0.00 H new ATOM 0 HE22 GLN A 92 19.565 -4.655 2.569 1.00 0.00 H new ATOM 1447 N ASP A 93 16.137 0.831 0.918 1.00 0.00 N ATOM 1448 CA ASP A 93 16.604 2.196 1.089 1.00 0.00 C ATOM 1449 C ASP A 93 16.080 2.747 2.417 1.00 0.00 C ATOM 1450 O ASP A 93 16.831 3.348 3.184 1.00 0.00 O ATOM 1451 CB ASP A 93 16.089 3.099 -0.033 1.00 0.00 C ATOM 1452 CG ASP A 93 17.154 3.972 -0.701 1.00 0.00 C ATOM 1453 OD1 ASP A 93 17.413 5.067 -0.157 1.00 0.00 O ATOM 1454 OD2 ASP A 93 17.684 3.524 -1.741 1.00 0.00 O ATOM 0 H ASP A 93 15.594 0.669 0.070 1.00 0.00 H new ATOM 0 HA ASP A 93 17.694 2.184 1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.621 2.475 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.311 3.747 0.371 1.00 0.00 H new ATOM 1459 N GLU A 94 14.794 2.523 2.648 1.00 0.00 N ATOM 1460 CA GLU A 94 14.161 2.990 3.869 1.00 0.00 C ATOM 1461 C GLU A 94 14.996 2.588 5.087 1.00 0.00 C ATOM 1462 O GLU A 94 15.568 3.443 5.761 1.00 0.00 O ATOM 1463 CB GLU A 94 12.732 2.456 3.984 1.00 0.00 C ATOM 1464 CG GLU A 94 11.775 3.550 4.461 1.00 0.00 C ATOM 1465 CD GLU A 94 12.077 3.952 5.906 1.00 0.00 C ATOM 1466 OE1 GLU A 94 13.264 4.233 6.181 1.00 0.00 O ATOM 1467 OE2 GLU A 94 11.115 3.967 6.704 1.00 0.00 O ATOM 0 H GLU A 94 14.174 2.024 2.010 1.00 0.00 H new ATOM 0 HA GLU A 94 14.106 4.078 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.403 2.076 3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.708 1.618 4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.861 4.421 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.747 3.197 4.386 1.00 0.00 H new ATOM 1474 N ARG A 95 15.039 1.286 5.331 1.00 0.00 N ATOM 1475 CA ARG A 95 15.794 0.761 6.456 1.00 0.00 C ATOM 1476 C ARG A 95 17.277 1.108 6.308 1.00 0.00 C ATOM 1477 O ARG A 95 17.891 1.633 7.236 1.00 0.00 O ATOM 1478 CB ARG A 95 15.641 -0.758 6.560 1.00 0.00 C ATOM 1479 CG ARG A 95 14.236 -1.136 7.033 1.00 0.00 C ATOM 1480 CD ARG A 95 13.651 -2.257 6.171 1.00 0.00 C ATOM 1481 NE ARG A 95 12.650 -3.022 6.948 1.00 0.00 N ATOM 1482 CZ ARG A 95 12.959 -3.926 7.887 1.00 0.00 C ATOM 1483 NH1 ARG A 95 14.243 -4.183 8.173 1.00 0.00 N ATOM 1484 NH2 ARG A 95 11.985 -4.573 8.541 1.00 0.00 N ATOM 0 H ARG A 95 14.564 0.580 4.769 1.00 0.00 H new ATOM 0 HA ARG A 95 15.399 1.218 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 95 15.837 -1.214 5.590 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.382 -1.155 7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 95 14.272 -1.455 8.075 1.00 0.00 H new ATOM 0 HG3 ARG A 95 13.586 -0.262 6.990 1.00 0.00 H new ATOM 0 HD2 ARG A 95 13.187 -1.837 5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 95 14.447 -2.921 5.834 1.00 0.00 H new ATOM 0 HE ARG A 95 11.663 -2.850 6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 95 14.985 -3.690 7.676 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.478 -4.871 8.888 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.008 -4.377 8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.221 -5.261 9.256 1.00 0.00 H new ATOM 1498 N SER A 96 17.810 0.801 5.134 1.00 0.00 N ATOM 1499 CA SER A 96 19.209 1.074 4.853 1.00 0.00 C ATOM 1500 C SER A 96 20.099 0.319 5.843 1.00 0.00 C ATOM 1501 O SER A 96 20.539 0.885 6.843 1.00 0.00 O ATOM 1502 CB SER A 96 19.501 2.574 4.915 1.00 0.00 C ATOM 1503 OG SER A 96 19.438 3.184 3.628 1.00 0.00 O ATOM 0 H SER A 96 17.298 0.366 4.367 1.00 0.00 H new ATOM 0 HA SER A 96 19.428 0.730 3.842 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.784 3.056 5.580 1.00 0.00 H new ATOM 0 HB3 SER A 96 20.490 2.733 5.344 1.00 0.00 H new ATOM 0 HG SER A 96 18.562 3.008 3.225 1.00 0.00 H new ATOM 1509 N GLY A 97 20.336 -0.946 5.531 1.00 0.00 N ATOM 1510 CA GLY A 97 21.166 -1.784 6.381 1.00 0.00 C ATOM 1511 C GLY A 97 21.469 -3.122 5.703 1.00 0.00 C ATOM 1512 O GLY A 97 20.689 -3.595 4.879 1.00 0.00 O ATOM 0 H GLY A 97 19.968 -1.412 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 97 22.099 -1.268 6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 97 20.660 -1.960 7.330 1.00 0.00 H new ATOM 1516 N PRO A 98 22.635 -3.708 6.086 1.00 0.00 N ATOM 1517 CA PRO A 98 23.051 -4.982 5.525 1.00 0.00 C ATOM 1518 C PRO A 98 22.237 -6.134 6.117 1.00 0.00 C ATOM 1519 O PRO A 98 22.478 -6.553 7.248 1.00 0.00 O ATOM 1520 CB PRO A 98 24.536 -5.083 5.837 1.00 0.00 C ATOM 1521 CG PRO A 98 24.795 -4.089 6.957 1.00 0.00 C ATOM 1522 CD PRO A 98 23.584 -3.176 7.060 1.00 0.00 C ATOM 0 HA PRO A 98 22.877 -5.045 4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 98 24.803 -6.095 6.143 1.00 0.00 H new ATOM 0 HB3 PRO A 98 25.137 -4.847 4.959 1.00 0.00 H new ATOM 0 HG2 PRO A 98 24.961 -4.611 7.900 1.00 0.00 H new ATOM 0 HG3 PRO A 98 25.694 -3.508 6.752 1.00 0.00 H new ATOM 0 HD2 PRO A 98 23.166 -3.185 8.066 1.00 0.00 H new ATOM 0 HD3 PRO A 98 23.847 -2.143 6.833 1.00 0.00 H new ATOM 1530 N SER A 99 21.289 -6.615 5.325 1.00 0.00 N ATOM 1531 CA SER A 99 20.438 -7.710 5.756 1.00 0.00 C ATOM 1532 C SER A 99 19.709 -7.330 7.047 1.00 0.00 C ATOM 1533 O SER A 99 19.963 -6.271 7.618 1.00 0.00 O ATOM 1534 CB SER A 99 21.250 -8.991 5.962 1.00 0.00 C ATOM 1535 OG SER A 99 20.772 -10.062 5.152 1.00 0.00 O ATOM 0 H SER A 99 21.092 -6.266 4.387 1.00 0.00 H new ATOM 0 HA SER A 99 19.703 -7.900 4.974 1.00 0.00 H new ATOM 0 HB2 SER A 99 22.297 -8.798 5.727 1.00 0.00 H new ATOM 0 HB3 SER A 99 21.207 -9.283 7.011 1.00 0.00 H new ATOM 0 HG SER A 99 21.317 -10.861 5.311 1.00 0.00 H new ATOM 1541 N SER A 100 18.819 -8.216 7.469 1.00 0.00 N ATOM 1542 CA SER A 100 18.052 -7.987 8.682 1.00 0.00 C ATOM 1543 C SER A 100 18.016 -9.262 9.527 1.00 0.00 C ATOM 1544 O SER A 100 17.064 -10.036 9.448 1.00 0.00 O ATOM 1545 CB SER A 100 16.630 -7.526 8.356 1.00 0.00 C ATOM 1546 OG SER A 100 16.010 -6.883 9.465 1.00 0.00 O ATOM 0 H SER A 100 18.612 -9.094 6.993 1.00 0.00 H new ATOM 0 HA SER A 100 18.540 -7.195 9.251 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.656 -6.841 7.508 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.031 -8.385 8.054 1.00 0.00 H new ATOM 0 HG SER A 100 15.943 -7.513 10.213 1.00 0.00 H new ATOM 1552 N GLY A 101 19.065 -9.440 10.317 1.00 0.00 N ATOM 1553 CA GLY A 101 19.166 -10.607 11.176 1.00 0.00 C ATOM 1554 C GLY A 101 20.467 -10.586 11.980 1.00 0.00 C ATOM 1555 O GLY A 101 21.251 -11.533 11.925 1.00 0.00 O ATOM 0 H GLY A 101 19.853 -8.795 10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 101 18.315 -10.637 11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 101 19.123 -11.513 10.571 1.00 0.00 H new TER 1559 GLY A 101