USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 847 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 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 ASN : amide:sc= -1.81 X(o=-1.8,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0874 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.012 USER MOD Single : A 13 SER OG : rot 131:sc= 0.566 USER MOD Single : A 14 GLN : amide:sc= -0.117 K(o=-0.12,f=-2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 16:sc= 0.486 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -45:sc= 0.641 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.035) USER MOD Single : A 60 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.7) USER MOD Single : A 64 MET CE :methyl -165:sc=-0.00494 (180deg=-0.257) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -3.81! C(o=-3.8!,f=-6.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 58:sc= 0.967 USER MOD Single : A 83 TYR OH : rot 180:sc= 0.0989 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.761 K(o=-0.76,f=-0.17) USER MOD Single : A 95 LYS NZ :NH3+ -155:sc= 0.813 (180deg=0.415) USER MOD Single : A 98 SER OG : rot 39:sc= 0.297 USER MOD Single : A 100 GLN : amide:sc= -0.0237 K(o=-0.024,f=-1.4) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00228 USER MOD Single : A 105 THR OG1 : rot 160:sc= 1.86 USER MOD Single : A 107 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 110 SER OG : rot -9:sc= 0.486 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.217 -15.971 26.647 1.00 0.00 N ATOM 2 CA GLY A 1 -12.287 -16.020 25.535 1.00 0.00 C ATOM 3 C GLY A 1 -12.529 -17.211 24.628 1.00 0.00 C ATOM 4 O GLY A 1 -13.551 -17.887 24.741 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.723 -15.063 26.636 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.901 -16.750 26.562 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.694 -16.065 27.541 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.372 -15.102 24.954 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.268 -16.061 25.919 1.00 0.00 H new ATOM 8 N SER A 2 -11.587 -17.467 23.726 1.00 0.00 N ATOM 9 CA SER A 2 -11.706 -18.581 22.793 1.00 0.00 C ATOM 10 C SER A 2 -10.710 -19.685 23.134 1.00 0.00 C ATOM 11 O SER A 2 -9.661 -19.428 23.725 1.00 0.00 O ATOM 12 CB SER A 2 -11.478 -18.099 21.359 1.00 0.00 C ATOM 13 OG SER A 2 -12.368 -17.047 21.027 1.00 0.00 O ATOM 0 H SER A 2 -10.733 -16.918 23.622 1.00 0.00 H new ATOM 0 HA SER A 2 -12.714 -18.987 22.877 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.449 -17.758 21.246 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.617 -18.929 20.667 1.00 0.00 H new ATOM 0 HG SER A 2 -12.201 -16.756 20.106 1.00 0.00 H new ATOM 19 N SER A 3 -11.047 -20.914 22.758 1.00 0.00 N ATOM 20 CA SER A 3 -10.185 -22.059 23.028 1.00 0.00 C ATOM 21 C SER A 3 -8.949 -22.031 22.134 1.00 0.00 C ATOM 22 O SER A 3 -9.037 -22.253 20.927 1.00 0.00 O ATOM 23 CB SER A 3 -10.953 -23.365 22.814 1.00 0.00 C ATOM 24 OG SER A 3 -11.998 -23.502 23.761 1.00 0.00 O ATOM 0 H SER A 3 -11.910 -21.143 22.266 1.00 0.00 H new ATOM 0 HA SER A 3 -9.862 -22.002 24.068 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.366 -23.387 21.806 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.270 -24.210 22.897 1.00 0.00 H new ATOM 0 HG SER A 3 -12.475 -24.343 23.602 1.00 0.00 H new ATOM 30 N GLY A 4 -7.796 -21.757 22.737 1.00 0.00 N ATOM 31 CA GLY A 4 -6.558 -21.704 21.981 1.00 0.00 C ATOM 32 C GLY A 4 -6.545 -20.578 20.967 1.00 0.00 C ATOM 33 O GLY A 4 -7.595 -20.049 20.602 1.00 0.00 O ATOM 0 H GLY A 4 -7.697 -21.571 23.735 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.721 -21.579 22.668 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.409 -22.653 21.467 1.00 0.00 H new ATOM 37 N SER A 5 -5.352 -20.207 20.512 1.00 0.00 N ATOM 38 CA SER A 5 -5.206 -19.132 19.538 1.00 0.00 C ATOM 39 C SER A 5 -3.897 -19.271 18.768 1.00 0.00 C ATOM 40 O SER A 5 -2.839 -19.495 19.356 1.00 0.00 O ATOM 41 CB SER A 5 -5.258 -17.772 20.237 1.00 0.00 C ATOM 42 OG SER A 5 -5.135 -16.713 19.303 1.00 0.00 O ATOM 0 H SER A 5 -4.473 -20.635 20.802 1.00 0.00 H new ATOM 0 HA SER A 5 -6.032 -19.201 18.831 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.198 -17.675 20.780 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.456 -17.707 20.973 1.00 0.00 H new ATOM 0 HG SER A 5 -5.173 -15.855 19.775 1.00 0.00 H new ATOM 48 N SER A 6 -3.976 -19.135 17.448 1.00 0.00 N ATOM 49 CA SER A 6 -2.799 -19.249 16.595 1.00 0.00 C ATOM 50 C SER A 6 -2.906 -18.316 15.393 1.00 0.00 C ATOM 51 O SER A 6 -3.988 -17.832 15.063 1.00 0.00 O ATOM 52 CB SER A 6 -2.625 -20.693 16.120 1.00 0.00 C ATOM 53 OG SER A 6 -3.511 -20.989 15.054 1.00 0.00 O ATOM 0 H SER A 6 -4.843 -18.946 16.946 1.00 0.00 H new ATOM 0 HA SER A 6 -1.927 -18.959 17.181 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.596 -20.851 15.797 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.807 -21.377 16.949 1.00 0.00 H new ATOM 0 HG SER A 6 -3.379 -21.917 14.767 1.00 0.00 H new ATOM 59 N GLY A 7 -1.774 -18.067 14.742 1.00 0.00 N ATOM 60 CA GLY A 7 -1.761 -17.192 13.584 1.00 0.00 C ATOM 61 C GLY A 7 -0.710 -17.591 12.568 1.00 0.00 C ATOM 62 O GLY A 7 0.421 -17.108 12.612 1.00 0.00 O ATOM 0 H GLY A 7 -0.866 -18.456 14.996 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.743 -17.206 13.111 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.578 -16.168 13.908 1.00 0.00 H new ATOM 66 N SER A 8 -1.083 -18.478 11.650 1.00 0.00 N ATOM 67 CA SER A 8 -0.163 -18.946 10.621 1.00 0.00 C ATOM 68 C SER A 8 -0.560 -18.408 9.250 1.00 0.00 C ATOM 69 O SER A 8 -0.324 -19.050 8.226 1.00 0.00 O ATOM 70 CB SER A 8 -0.133 -20.476 10.592 1.00 0.00 C ATOM 71 OG SER A 8 -1.261 -20.995 9.909 1.00 0.00 O ATOM 0 H SER A 8 -2.016 -18.886 11.599 1.00 0.00 H new ATOM 0 HA SER A 8 0.833 -18.574 10.863 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.780 -20.816 10.103 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.112 -20.862 11.611 1.00 0.00 H new ATOM 0 HG SER A 8 -1.218 -21.974 9.903 1.00 0.00 H new ATOM 77 N ARG A 9 -1.165 -17.225 9.239 1.00 0.00 N ATOM 78 CA ARG A 9 -1.598 -16.599 7.995 1.00 0.00 C ATOM 79 C ARG A 9 -0.985 -15.210 7.844 1.00 0.00 C ATOM 80 O ARG A 9 -0.642 -14.546 8.822 1.00 0.00 O ATOM 81 CB ARG A 9 -3.124 -16.503 7.951 1.00 0.00 C ATOM 82 CG ARG A 9 -3.815 -17.849 7.808 1.00 0.00 C ATOM 83 CD ARG A 9 -4.012 -18.521 9.158 1.00 0.00 C ATOM 84 NE ARG A 9 -4.422 -19.916 9.020 1.00 0.00 N ATOM 85 CZ ARG A 9 -5.666 -20.293 8.750 1.00 0.00 C ATOM 86 NH1 ARG A 9 -6.618 -19.384 8.589 1.00 0.00 N ATOM 87 NH2 ARG A 9 -5.961 -21.582 8.641 1.00 0.00 N ATOM 0 H ARG A 9 -1.367 -16.680 10.078 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.257 -17.220 7.167 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.476 -16.019 8.862 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.416 -15.864 7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.782 -17.713 7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.223 -18.496 7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.084 -18.471 9.727 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.765 -17.976 9.728 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.714 -20.640 9.138 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.395 -18.392 8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.573 -19.677 8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.232 -22.284 8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.917 -21.871 8.434 1.00 0.00 H new ATOM 101 N PRO A 10 -0.844 -14.759 6.588 1.00 0.00 N ATOM 102 CA PRO A 10 -0.272 -13.445 6.279 1.00 0.00 C ATOM 103 C PRO A 10 -1.193 -12.301 6.690 1.00 0.00 C ATOM 104 O PRO A 10 -2.343 -12.231 6.257 1.00 0.00 O ATOM 105 CB PRO A 10 -0.108 -13.478 4.757 1.00 0.00 C ATOM 106 CG PRO A 10 -1.125 -14.462 4.289 1.00 0.00 C ATOM 107 CD PRO A 10 -1.231 -15.497 5.374 1.00 0.00 C ATOM 0 HA PRO A 10 0.659 -13.269 6.818 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.277 -12.494 4.319 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.899 -13.784 4.474 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.086 -13.978 4.117 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.823 -14.916 3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.242 -15.896 5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.568 -16.342 5.189 1.00 0.00 H new ATOM 115 N ARG A 11 -0.679 -11.406 7.528 1.00 0.00 N ATOM 116 CA ARG A 11 -1.456 -10.266 7.999 1.00 0.00 C ATOM 117 C ARG A 11 -0.699 -8.961 7.772 1.00 0.00 C ATOM 118 O ARG A 11 0.444 -8.966 7.311 1.00 0.00 O ATOM 119 CB ARG A 11 -1.787 -10.424 9.484 1.00 0.00 C ATOM 120 CG ARG A 11 -2.493 -11.729 9.815 1.00 0.00 C ATOM 121 CD ARG A 11 -3.997 -11.614 9.623 1.00 0.00 C ATOM 122 NE ARG A 11 -4.600 -12.889 9.245 1.00 0.00 N ATOM 123 CZ ARG A 11 -5.902 -13.140 9.329 1.00 0.00 C ATOM 124 NH1 ARG A 11 -6.732 -12.208 9.775 1.00 0.00 N ATOM 125 NH2 ARG A 11 -6.375 -14.325 8.966 1.00 0.00 N ATOM 0 H ARG A 11 0.272 -11.449 7.894 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.384 -10.232 7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.865 -10.363 10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.416 -9.591 9.798 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.104 -12.525 9.180 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.277 -12.009 10.846 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.454 -11.257 10.546 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.208 -10.871 8.854 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.988 -13.627 8.897 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.372 -11.296 10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.731 -12.403 9.839 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.739 -15.044 8.622 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.375 -14.517 9.031 1.00 0.00 H new ATOM 139 N LEU A 12 -1.342 -7.845 8.097 1.00 0.00 N ATOM 140 CA LEU A 12 -0.729 -6.532 7.929 1.00 0.00 C ATOM 141 C LEU A 12 0.082 -6.147 9.162 1.00 0.00 C ATOM 142 O LEU A 12 -0.075 -6.739 10.230 1.00 0.00 O ATOM 143 CB LEU A 12 -1.804 -5.477 7.661 1.00 0.00 C ATOM 144 CG LEU A 12 -2.228 -5.306 6.202 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.651 -4.777 6.118 1.00 0.00 C ATOM 146 CD2 LEU A 12 -1.268 -4.377 5.473 1.00 0.00 C ATOM 0 H LEU A 12 -2.288 -7.823 8.478 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.054 -6.580 7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.687 -5.730 8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.442 -4.517 8.028 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.196 -6.282 5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.935 -4.662 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.329 -5.479 6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.710 -3.811 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.585 -4.267 4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.268 -3.401 5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.263 -4.797 5.502 1.00 0.00 H new ATOM 158 N SER A 13 0.947 -5.150 9.008 1.00 0.00 N ATOM 159 CA SER A 13 1.784 -4.687 10.109 1.00 0.00 C ATOM 160 C SER A 13 1.321 -3.320 10.604 1.00 0.00 C ATOM 161 O SER A 13 0.304 -2.796 10.152 1.00 0.00 O ATOM 162 CB SER A 13 3.247 -4.614 9.669 1.00 0.00 C ATOM 163 OG SER A 13 4.120 -4.850 10.760 1.00 0.00 O ATOM 0 H SER A 13 1.087 -4.647 8.132 1.00 0.00 H new ATOM 0 HA SER A 13 1.694 -5.401 10.928 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.432 -5.349 8.886 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.453 -3.633 9.240 1.00 0.00 H new ATOM 0 HG SER A 13 4.794 -5.513 10.502 1.00 0.00 H new ATOM 169 N GLN A 14 2.076 -2.749 11.537 1.00 0.00 N ATOM 170 CA GLN A 14 1.744 -1.444 12.096 1.00 0.00 C ATOM 171 C GLN A 14 1.589 -0.403 10.992 1.00 0.00 C ATOM 172 O GLN A 14 2.564 -0.019 10.345 1.00 0.00 O ATOM 173 CB GLN A 14 2.822 -0.999 13.085 1.00 0.00 C ATOM 174 CG GLN A 14 3.511 -2.154 13.794 1.00 0.00 C ATOM 175 CD GLN A 14 4.137 -1.740 15.111 1.00 0.00 C ATOM 176 OE1 GLN A 14 3.756 -0.729 15.703 1.00 0.00 O ATOM 177 NE2 GLN A 14 5.104 -2.521 15.579 1.00 0.00 N ATOM 0 H GLN A 14 2.922 -3.170 11.922 1.00 0.00 H new ATOM 0 HA GLN A 14 0.794 -1.534 12.622 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.571 -0.411 12.554 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.372 -0.343 13.830 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.787 -2.949 13.974 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.282 -2.567 13.143 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.389 -3.349 15.056 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.562 -2.293 16.461 1.00 0.00 H new ATOM 186 N LEU A 15 0.358 0.049 10.781 1.00 0.00 N ATOM 187 CA LEU A 15 0.075 1.046 9.754 1.00 0.00 C ATOM 188 C LEU A 15 0.153 2.457 10.328 1.00 0.00 C ATOM 189 O LEU A 15 -0.754 2.904 11.029 1.00 0.00 O ATOM 190 CB LEU A 15 -1.310 0.806 9.150 1.00 0.00 C ATOM 191 CG LEU A 15 -1.842 1.907 8.232 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.232 1.785 6.844 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.361 1.849 8.155 1.00 0.00 C ATOM 0 H LEU A 15 -0.460 -0.259 11.307 1.00 0.00 H new ATOM 0 HA LEU A 15 0.828 0.949 8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.282 -0.127 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.020 0.665 9.965 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.555 2.872 8.650 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.622 2.577 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.148 1.876 6.914 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.488 0.815 6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.722 2.640 7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.669 0.880 7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.781 1.985 9.151 1.00 0.00 H new ATOM 205 N SER A 16 1.244 3.154 10.025 1.00 0.00 N ATOM 206 CA SER A 16 1.442 4.514 10.512 1.00 0.00 C ATOM 207 C SER A 16 1.341 5.520 9.370 1.00 0.00 C ATOM 208 O SER A 16 1.400 5.153 8.197 1.00 0.00 O ATOM 209 CB SER A 16 2.804 4.639 11.198 1.00 0.00 C ATOM 210 OG SER A 16 2.779 4.060 12.492 1.00 0.00 O ATOM 0 H SER A 16 2.004 2.799 9.445 1.00 0.00 H new ATOM 0 HA SER A 16 0.657 4.732 11.236 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.566 4.149 10.592 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.082 5.690 11.272 1.00 0.00 H new ATOM 0 HG SER A 16 3.661 4.151 12.908 1.00 0.00 H new ATOM 216 N VAL A 17 1.187 6.793 9.723 1.00 0.00 N ATOM 217 CA VAL A 17 1.079 7.854 8.729 1.00 0.00 C ATOM 218 C VAL A 17 2.258 8.815 8.821 1.00 0.00 C ATOM 219 O VAL A 17 2.590 9.308 9.900 1.00 0.00 O ATOM 220 CB VAL A 17 -0.231 8.647 8.897 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.212 9.897 8.029 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.430 7.773 8.561 1.00 0.00 C ATOM 0 H VAL A 17 1.134 7.114 10.690 1.00 0.00 H new ATOM 0 HA VAL A 17 1.082 7.374 7.750 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.317 8.957 9.938 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.145 10.445 8.160 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.625 10.531 8.322 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.103 9.612 6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.347 8.350 8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.353 7.431 7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.450 6.911 9.228 1.00 0.00 H new ATOM 232 N THR A 18 2.889 9.080 7.681 1.00 0.00 N ATOM 233 CA THR A 18 4.033 9.982 7.632 1.00 0.00 C ATOM 234 C THR A 18 3.783 11.133 6.664 1.00 0.00 C ATOM 235 O THR A 18 2.814 11.120 5.905 1.00 0.00 O ATOM 236 CB THR A 18 5.316 9.241 7.211 1.00 0.00 C ATOM 237 OG1 THR A 18 5.191 8.773 5.864 1.00 0.00 O ATOM 238 CG2 THR A 18 5.591 8.067 8.138 1.00 0.00 C ATOM 0 H THR A 18 2.627 8.682 6.779 1.00 0.00 H new ATOM 0 HA THR A 18 4.166 10.379 8.638 1.00 0.00 H new ATOM 0 HB THR A 18 6.151 9.939 7.277 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.011 8.304 5.603 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.502 7.559 7.821 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.714 8.430 9.158 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.754 7.369 8.100 1.00 0.00 H new ATOM 246 N ASP A 19 4.664 12.128 6.696 1.00 0.00 N ATOM 247 CA ASP A 19 4.540 13.287 5.819 1.00 0.00 C ATOM 248 C ASP A 19 3.153 13.910 5.935 1.00 0.00 C ATOM 249 O ASP A 19 2.571 14.346 4.942 1.00 0.00 O ATOM 250 CB ASP A 19 4.814 12.887 4.369 1.00 0.00 C ATOM 251 CG ASP A 19 6.280 13.002 4.003 1.00 0.00 C ATOM 252 OD1 ASP A 19 6.868 14.078 4.241 1.00 0.00 O ATOM 253 OD2 ASP A 19 6.841 12.016 3.479 1.00 0.00 O ATOM 0 H ASP A 19 5.471 12.155 7.319 1.00 0.00 H new ATOM 0 HA ASP A 19 5.278 14.027 6.129 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.482 11.861 4.210 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.226 13.519 3.704 1.00 0.00 H new ATOM 258 N VAL A 20 2.626 13.948 7.156 1.00 0.00 N ATOM 259 CA VAL A 20 1.307 14.518 7.402 1.00 0.00 C ATOM 260 C VAL A 20 1.166 15.884 6.740 1.00 0.00 C ATOM 261 O VAL A 20 1.685 16.884 7.238 1.00 0.00 O ATOM 262 CB VAL A 20 1.029 14.659 8.910 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.437 14.982 9.156 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.435 13.391 9.647 1.00 0.00 C ATOM 0 H VAL A 20 3.093 13.591 7.989 1.00 0.00 H new ATOM 0 HA VAL A 20 0.580 13.831 6.969 1.00 0.00 H new ATOM 0 HB VAL A 20 1.627 15.484 9.296 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.614 15.078 10.227 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.691 15.919 8.661 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.058 14.181 8.756 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.232 13.508 10.711 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.865 12.547 9.259 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.499 13.209 9.499 1.00 0.00 H new ATOM 274 N THR A 21 0.460 15.920 5.614 1.00 0.00 N ATOM 275 CA THR A 21 0.251 17.164 4.883 1.00 0.00 C ATOM 276 C THR A 21 -0.940 17.935 5.440 1.00 0.00 C ATOM 277 O THR A 21 -1.787 17.374 6.136 1.00 0.00 O ATOM 278 CB THR A 21 0.022 16.901 3.383 1.00 0.00 C ATOM 279 OG1 THR A 21 0.873 15.839 2.936 1.00 0.00 O ATOM 280 CG2 THR A 21 0.297 18.155 2.566 1.00 0.00 C ATOM 0 H THR A 21 0.023 15.102 5.189 1.00 0.00 H new ATOM 0 HA THR A 21 1.155 17.760 5.006 1.00 0.00 H new ATOM 0 HB THR A 21 -1.020 16.615 3.242 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.720 15.677 1.982 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.129 17.945 1.510 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.372 18.953 2.888 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.331 18.466 2.714 1.00 0.00 H new ATOM 288 N THR A 22 -1.001 19.226 5.129 1.00 0.00 N ATOM 289 CA THR A 22 -2.088 20.075 5.599 1.00 0.00 C ATOM 290 C THR A 22 -3.442 19.418 5.357 1.00 0.00 C ATOM 291 O THR A 22 -4.280 19.351 6.256 1.00 0.00 O ATOM 292 CB THR A 22 -2.066 21.451 4.906 1.00 0.00 C ATOM 293 OG1 THR A 22 -1.556 21.321 3.574 1.00 0.00 O ATOM 294 CG2 THR A 22 -1.213 22.437 5.688 1.00 0.00 C ATOM 0 H THR A 22 -0.310 19.706 4.553 1.00 0.00 H new ATOM 0 HA THR A 22 -1.941 20.214 6.670 1.00 0.00 H new ATOM 0 HB THR A 22 -3.087 21.830 4.867 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.547 22.200 3.140 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.213 23.401 5.179 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.622 22.556 6.691 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.192 22.062 5.755 1.00 0.00 H new ATOM 302 N SER A 23 -3.650 18.934 4.137 1.00 0.00 N ATOM 303 CA SER A 23 -4.905 18.285 3.776 1.00 0.00 C ATOM 304 C SER A 23 -4.649 16.911 3.163 1.00 0.00 C ATOM 305 O SER A 23 -5.485 16.380 2.431 1.00 0.00 O ATOM 306 CB SER A 23 -5.691 19.156 2.793 1.00 0.00 C ATOM 307 OG SER A 23 -4.847 19.661 1.773 1.00 0.00 O ATOM 0 H SER A 23 -2.966 18.979 3.382 1.00 0.00 H new ATOM 0 HA SER A 23 -5.493 18.155 4.685 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.496 18.572 2.347 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.157 19.984 3.328 1.00 0.00 H new ATOM 0 HG SER A 23 -5.373 20.213 1.157 1.00 0.00 H new ATOM 313 N SER A 24 -3.488 16.341 3.468 1.00 0.00 N ATOM 314 CA SER A 24 -3.118 15.031 2.945 1.00 0.00 C ATOM 315 C SER A 24 -2.111 14.344 3.861 1.00 0.00 C ATOM 316 O SER A 24 -1.725 14.888 4.898 1.00 0.00 O ATOM 317 CB SER A 24 -2.534 15.167 1.537 1.00 0.00 C ATOM 318 OG SER A 24 -2.551 13.924 0.856 1.00 0.00 O ATOM 0 H SER A 24 -2.787 16.766 4.075 1.00 0.00 H new ATOM 0 HA SER A 24 -4.018 14.418 2.900 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.106 15.903 0.972 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.511 15.538 1.598 1.00 0.00 H new ATOM 0 HG SER A 24 -3.152 13.305 1.320 1.00 0.00 H new ATOM 324 N LEU A 25 -1.688 13.146 3.473 1.00 0.00 N ATOM 325 CA LEU A 25 -0.725 12.383 4.259 1.00 0.00 C ATOM 326 C LEU A 25 -0.319 11.105 3.532 1.00 0.00 C ATOM 327 O LEU A 25 -0.868 10.777 2.480 1.00 0.00 O ATOM 328 CB LEU A 25 -1.313 12.039 5.629 1.00 0.00 C ATOM 329 CG LEU A 25 -2.832 11.873 5.685 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.234 10.482 5.217 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.346 12.133 7.093 1.00 0.00 C ATOM 0 H LEU A 25 -1.997 12.682 2.619 1.00 0.00 H new ATOM 0 HA LEU A 25 0.164 12.999 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.853 11.114 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.027 12.822 6.332 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.283 12.605 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.318 10.382 5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.899 10.333 4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.772 9.734 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.429 12.010 7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.887 11.426 7.784 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.090 13.150 7.392 1.00 0.00 H new ATOM 343 N ARG A 26 0.644 10.387 4.100 1.00 0.00 N ATOM 344 CA ARG A 26 1.122 9.145 3.507 1.00 0.00 C ATOM 345 C ARG A 26 1.081 8.006 4.522 1.00 0.00 C ATOM 346 O ARG A 26 1.247 8.224 5.723 1.00 0.00 O ATOM 347 CB ARG A 26 2.548 9.322 2.980 1.00 0.00 C ATOM 348 CG ARG A 26 3.018 8.177 2.099 1.00 0.00 C ATOM 349 CD ARG A 26 4.526 8.205 1.905 1.00 0.00 C ATOM 350 NE ARG A 26 5.021 6.982 1.281 1.00 0.00 N ATOM 351 CZ ARG A 26 6.312 6.693 1.150 1.00 0.00 C ATOM 352 NH1 ARG A 26 7.231 7.537 1.599 1.00 0.00 N ATOM 353 NH2 ARG A 26 6.684 5.560 0.570 1.00 0.00 N ATOM 0 H ARG A 26 1.109 10.645 4.971 1.00 0.00 H new ATOM 0 HA ARG A 26 0.464 8.892 2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.604 10.252 2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.229 9.422 3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.726 7.228 2.548 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.524 8.237 1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.796 9.062 1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.013 8.342 2.870 1.00 0.00 H new ATOM 0 HE ARG A 26 4.339 6.312 0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.948 8.409 2.046 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.221 7.314 1.498 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.979 4.909 0.224 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.675 5.340 0.470 1.00 0.00 H new ATOM 367 N LEU A 27 0.860 6.791 4.031 1.00 0.00 N ATOM 368 CA LEU A 27 0.796 5.618 4.895 1.00 0.00 C ATOM 369 C LEU A 27 1.934 4.650 4.584 1.00 0.00 C ATOM 370 O LEU A 27 2.543 4.716 3.517 1.00 0.00 O ATOM 371 CB LEU A 27 -0.550 4.910 4.730 1.00 0.00 C ATOM 372 CG LEU A 27 -1.730 5.530 5.479 1.00 0.00 C ATOM 373 CD1 LEU A 27 -3.041 5.175 4.795 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.741 5.070 6.930 1.00 0.00 C ATOM 0 H LEU A 27 0.722 6.593 3.040 1.00 0.00 H new ATOM 0 HA LEU A 27 0.899 5.952 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.795 4.880 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.438 3.877 5.060 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.618 6.614 5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.870 5.625 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.032 5.554 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.162 4.092 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.587 5.521 7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.830 3.984 6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.814 5.375 7.415 1.00 0.00 H new ATOM 386 N ASN A 28 2.213 3.751 5.522 1.00 0.00 N ATOM 387 CA ASN A 28 3.276 2.769 5.347 1.00 0.00 C ATOM 388 C ASN A 28 3.019 1.530 6.200 1.00 0.00 C ATOM 389 O ASN A 28 2.994 1.605 7.429 1.00 0.00 O ATOM 390 CB ASN A 28 4.630 3.381 5.713 1.00 0.00 C ATOM 391 CG ASN A 28 4.976 4.577 4.848 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.461 4.427 3.726 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.727 5.774 5.367 1.00 0.00 N ATOM 0 H ASN A 28 1.718 3.682 6.411 1.00 0.00 H new ATOM 0 HA ASN A 28 3.291 2.470 4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.617 3.685 6.760 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.408 2.624 5.610 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.938 6.616 4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.324 5.851 6.301 1.00 0.00 H new ATOM 400 N TRP A 29 2.828 0.394 5.541 1.00 0.00 N ATOM 401 CA TRP A 29 2.572 -0.861 6.238 1.00 0.00 C ATOM 402 C TRP A 29 3.510 -1.958 5.746 1.00 0.00 C ATOM 403 O TRP A 29 3.898 -1.977 4.579 1.00 0.00 O ATOM 404 CB TRP A 29 1.117 -1.291 6.043 1.00 0.00 C ATOM 405 CG TRP A 29 0.739 -1.467 4.603 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.828 -2.614 3.867 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.213 -0.465 3.726 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.390 -2.385 2.585 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.006 -1.075 2.473 1.00 0.00 C ATOM 410 CE3 TRP A 29 -0.105 0.887 3.878 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.503 -0.377 1.381 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.609 1.578 2.792 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.805 0.946 1.558 1.00 0.00 C ATOM 0 H TRP A 29 2.845 0.315 4.524 1.00 0.00 H new ATOM 0 HA TRP A 29 2.756 -0.701 7.300 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.948 -2.228 6.573 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.462 -0.547 6.495 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.189 -3.562 4.238 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.356 -3.078 1.838 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.040 1.383 4.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.654 -0.862 0.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.856 2.624 2.897 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.202 1.514 0.730 1.00 0.00 H new ATOM 424 N GLU A 30 3.869 -2.871 6.644 1.00 0.00 N ATOM 425 CA GLU A 30 4.762 -3.971 6.299 1.00 0.00 C ATOM 426 C GLU A 30 3.971 -5.241 6.000 1.00 0.00 C ATOM 427 O GLU A 30 3.062 -5.607 6.744 1.00 0.00 O ATOM 428 CB GLU A 30 5.752 -4.229 7.436 1.00 0.00 C ATOM 429 CG GLU A 30 6.405 -5.600 7.375 1.00 0.00 C ATOM 430 CD GLU A 30 5.569 -6.675 8.041 1.00 0.00 C ATOM 431 OE1 GLU A 30 5.661 -6.817 9.278 1.00 0.00 O ATOM 432 OE2 GLU A 30 4.822 -7.374 7.325 1.00 0.00 O ATOM 0 H GLU A 30 3.555 -2.870 7.615 1.00 0.00 H new ATOM 0 HA GLU A 30 5.315 -3.689 5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.529 -3.465 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.233 -4.125 8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.575 -5.871 6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.382 -5.555 7.856 1.00 0.00 H new ATOM 439 N ALA A 31 4.324 -5.907 4.905 1.00 0.00 N ATOM 440 CA ALA A 31 3.648 -7.136 4.508 1.00 0.00 C ATOM 441 C ALA A 31 4.617 -8.102 3.836 1.00 0.00 C ATOM 442 O ALA A 31 5.530 -7.702 3.114 1.00 0.00 O ATOM 443 CB ALA A 31 2.484 -6.822 3.580 1.00 0.00 C ATOM 0 H ALA A 31 5.074 -5.616 4.278 1.00 0.00 H new ATOM 0 HA ALA A 31 3.262 -7.616 5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.988 -7.749 3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.773 -6.175 4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.855 -6.317 2.689 1.00 0.00 H new ATOM 449 N PRO A 32 4.417 -9.406 4.078 1.00 0.00 N ATOM 450 CA PRO A 32 5.264 -10.457 3.505 1.00 0.00 C ATOM 451 C PRO A 32 5.066 -10.606 2.001 1.00 0.00 C ATOM 452 O PRO A 32 4.115 -10.080 1.421 1.00 0.00 O ATOM 453 CB PRO A 32 4.802 -11.721 4.233 1.00 0.00 C ATOM 454 CG PRO A 32 3.400 -11.431 4.644 1.00 0.00 C ATOM 455 CD PRO A 32 3.349 -9.956 4.930 1.00 0.00 C ATOM 0 HA PRO A 32 6.325 -10.239 3.631 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.851 -12.593 3.581 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.432 -11.933 5.097 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.698 -11.700 3.854 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.124 -12.009 5.526 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.377 -9.532 4.680 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.527 -9.745 5.984 1.00 0.00 H new ATOM 463 N PRO A 33 5.982 -11.339 1.352 1.00 0.00 N ATOM 464 CA PRO A 33 5.928 -11.574 -0.094 1.00 0.00 C ATOM 465 C PRO A 33 4.774 -12.489 -0.490 1.00 0.00 C ATOM 466 O PRO A 33 4.457 -13.446 0.215 1.00 0.00 O ATOM 467 CB PRO A 33 7.270 -12.247 -0.394 1.00 0.00 C ATOM 468 CG PRO A 33 7.668 -12.887 0.890 1.00 0.00 C ATOM 469 CD PRO A 33 7.142 -11.995 1.979 1.00 0.00 C ATOM 0 HA PRO A 33 5.764 -10.652 -0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.174 -12.985 -1.191 1.00 0.00 H new ATOM 0 HB3 PRO A 33 8.013 -11.520 -0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.250 -13.890 0.972 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.751 -12.987 0.957 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.852 -12.566 2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.889 -11.269 2.300 1.00 0.00 H new ATOM 477 N GLY A 34 4.148 -12.187 -1.624 1.00 0.00 N ATOM 478 CA GLY A 34 3.035 -12.992 -2.093 1.00 0.00 C ATOM 479 C GLY A 34 1.961 -13.168 -1.039 1.00 0.00 C ATOM 480 O GLY A 34 1.384 -14.247 -0.904 1.00 0.00 O ATOM 0 H GLY A 34 4.392 -11.400 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.600 -12.525 -2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.403 -13.971 -2.399 1.00 0.00 H new ATOM 484 N ALA A 35 1.692 -12.105 -0.288 1.00 0.00 N ATOM 485 CA ALA A 35 0.679 -12.146 0.760 1.00 0.00 C ATOM 486 C ALA A 35 -0.691 -11.756 0.215 1.00 0.00 C ATOM 487 O ALA A 35 -1.619 -12.566 0.203 1.00 0.00 O ATOM 488 CB ALA A 35 1.072 -11.231 1.910 1.00 0.00 C ATOM 0 H ALA A 35 2.161 -11.205 -0.386 1.00 0.00 H new ATOM 0 HA ALA A 35 0.616 -13.169 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.307 -11.272 2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.026 -11.557 2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.165 -10.208 1.545 1.00 0.00 H new ATOM 494 N PHE A 36 -0.811 -10.512 -0.234 1.00 0.00 N ATOM 495 CA PHE A 36 -2.069 -10.014 -0.779 1.00 0.00 C ATOM 496 C PHE A 36 -1.892 -9.555 -2.224 1.00 0.00 C ATOM 497 O PHE A 36 -0.923 -8.872 -2.555 1.00 0.00 O ATOM 498 CB PHE A 36 -2.597 -8.859 0.074 1.00 0.00 C ATOM 499 CG PHE A 36 -2.453 -9.090 1.551 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.403 -9.820 2.247 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.368 -8.577 2.243 1.00 0.00 C ATOM 502 CE1 PHE A 36 -3.273 -10.034 3.606 1.00 0.00 C ATOM 503 CE2 PHE A 36 -1.233 -8.787 3.603 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.186 -9.518 4.285 1.00 0.00 C ATOM 0 H PHE A 36 -0.053 -9.830 -0.232 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.792 -10.829 -0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.066 -7.946 -0.196 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.649 -8.697 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.255 -10.226 1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.619 -8.006 1.714 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.021 -10.604 4.137 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.383 -8.380 4.131 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.082 -9.686 5.347 1.00 0.00 H new ATOM 514 N ASP A 37 -2.836 -9.935 -3.078 1.00 0.00 N ATOM 515 CA ASP A 37 -2.786 -9.563 -4.487 1.00 0.00 C ATOM 516 C ASP A 37 -2.802 -8.046 -4.650 1.00 0.00 C ATOM 517 O ASP A 37 -2.253 -7.509 -5.612 1.00 0.00 O ATOM 518 CB ASP A 37 -3.963 -10.181 -5.242 1.00 0.00 C ATOM 519 CG ASP A 37 -3.722 -10.247 -6.738 1.00 0.00 C ATOM 520 OD1 ASP A 37 -2.754 -10.916 -7.154 1.00 0.00 O ATOM 521 OD2 ASP A 37 -4.503 -9.629 -7.491 1.00 0.00 O ATOM 0 H ASP A 37 -3.645 -10.500 -2.819 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.855 -9.946 -4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.147 -11.186 -4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.862 -9.597 -5.047 1.00 0.00 H new ATOM 526 N SER A 38 -3.435 -7.361 -3.703 1.00 0.00 N ATOM 527 CA SER A 38 -3.527 -5.906 -3.743 1.00 0.00 C ATOM 528 C SER A 38 -3.923 -5.349 -2.379 1.00 0.00 C ATOM 529 O SER A 38 -4.097 -6.097 -1.417 1.00 0.00 O ATOM 530 CB SER A 38 -4.542 -5.468 -4.801 1.00 0.00 C ATOM 531 OG SER A 38 -5.756 -6.187 -4.671 1.00 0.00 O ATOM 0 H SER A 38 -3.892 -7.790 -2.898 1.00 0.00 H new ATOM 0 HA SER A 38 -2.546 -5.511 -4.006 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.736 -4.400 -4.703 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.126 -5.627 -5.796 1.00 0.00 H new ATOM 0 HG SER A 38 -6.389 -5.888 -5.357 1.00 0.00 H new ATOM 537 N PHE A 39 -4.065 -4.030 -2.305 1.00 0.00 N ATOM 538 CA PHE A 39 -4.440 -3.370 -1.059 1.00 0.00 C ATOM 539 C PHE A 39 -5.499 -2.301 -1.308 1.00 0.00 C ATOM 540 O PHE A 39 -5.268 -1.341 -2.044 1.00 0.00 O ATOM 541 CB PHE A 39 -3.210 -2.742 -0.400 1.00 0.00 C ATOM 542 CG PHE A 39 -2.437 -3.700 0.461 1.00 0.00 C ATOM 543 CD1 PHE A 39 -2.987 -4.199 1.631 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.160 -4.100 0.101 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.278 -5.081 2.425 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.447 -4.981 0.891 1.00 0.00 C ATOM 547 CZ PHE A 39 -1.006 -5.472 2.055 1.00 0.00 C ATOM 0 H PHE A 39 -3.926 -3.397 -3.093 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.858 -4.122 -0.390 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.552 -2.351 -1.176 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.526 -1.894 0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.981 -3.895 1.926 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.717 -3.719 -0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.718 -5.464 3.334 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.547 -5.286 0.599 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.450 -6.160 2.674 1.00 0.00 H new ATOM 557 N LEU A 40 -6.662 -2.474 -0.689 1.00 0.00 N ATOM 558 CA LEU A 40 -7.759 -1.525 -0.843 1.00 0.00 C ATOM 559 C LEU A 40 -7.952 -0.705 0.429 1.00 0.00 C ATOM 560 O LEU A 40 -8.503 -1.193 1.417 1.00 0.00 O ATOM 561 CB LEU A 40 -9.054 -2.263 -1.189 1.00 0.00 C ATOM 562 CG LEU A 40 -10.218 -1.390 -1.661 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.896 -0.750 -3.002 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.496 -2.211 -1.753 1.00 0.00 C ATOM 0 H LEU A 40 -6.869 -3.262 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.507 -0.845 -1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.835 -2.994 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.377 -2.820 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.371 -0.596 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.736 -0.133 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.006 -0.129 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.716 -1.529 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.314 -1.574 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.354 -3.026 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.736 -2.621 -0.772 1.00 0.00 H new ATOM 576 N LEU A 41 -7.497 0.542 0.397 1.00 0.00 N ATOM 577 CA LEU A 41 -7.621 1.432 1.547 1.00 0.00 C ATOM 578 C LEU A 41 -8.892 2.270 1.453 1.00 0.00 C ATOM 579 O LEU A 41 -9.270 2.722 0.372 1.00 0.00 O ATOM 580 CB LEU A 41 -6.399 2.347 1.644 1.00 0.00 C ATOM 581 CG LEU A 41 -6.436 3.401 2.751 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.815 2.856 4.028 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.720 4.667 2.305 1.00 0.00 C ATOM 0 H LEU A 41 -7.039 0.961 -0.412 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.679 0.817 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.516 1.726 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.275 2.857 0.689 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.477 3.649 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.850 3.620 4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.371 1.978 4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.778 2.579 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.756 5.406 3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.681 4.435 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.209 5.068 1.418 1.00 0.00 H new ATOM 595 N ARG A 42 -9.547 2.474 2.591 1.00 0.00 N ATOM 596 CA ARG A 42 -10.774 3.258 2.637 1.00 0.00 C ATOM 597 C ARG A 42 -10.713 4.301 3.750 1.00 0.00 C ATOM 598 O ARG A 42 -10.687 3.960 4.933 1.00 0.00 O ATOM 599 CB ARG A 42 -11.982 2.343 2.847 1.00 0.00 C ATOM 600 CG ARG A 42 -12.614 1.861 1.552 1.00 0.00 C ATOM 601 CD ARG A 42 -13.668 0.795 1.809 1.00 0.00 C ATOM 602 NE ARG A 42 -14.119 0.163 0.572 1.00 0.00 N ATOM 603 CZ ARG A 42 -15.095 -0.737 0.521 1.00 0.00 C ATOM 604 NH1 ARG A 42 -15.718 -1.108 1.631 1.00 0.00 N ATOM 605 NH2 ARG A 42 -15.450 -1.268 -0.642 1.00 0.00 N ATOM 0 H ARG A 42 -9.248 2.107 3.494 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.880 3.775 1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.674 1.478 3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.733 2.875 3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.067 2.704 1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.841 1.460 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.261 0.036 2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.521 1.243 2.319 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.660 0.427 -0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.448 -0.702 2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.467 -1.799 1.589 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.973 -0.985 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.199 -1.959 -0.680 1.00 0.00 H new ATOM 619 N PHE A 43 -10.688 5.572 3.362 1.00 0.00 N ATOM 620 CA PHE A 43 -10.628 6.664 4.326 1.00 0.00 C ATOM 621 C PHE A 43 -11.918 7.479 4.307 1.00 0.00 C ATOM 622 O PHE A 43 -12.305 8.023 3.274 1.00 0.00 O ATOM 623 CB PHE A 43 -9.433 7.572 4.027 1.00 0.00 C ATOM 624 CG PHE A 43 -9.544 8.295 2.715 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.210 7.661 1.529 1.00 0.00 C ATOM 626 CD2 PHE A 43 -9.983 9.608 2.668 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.311 8.323 0.320 1.00 0.00 C ATOM 628 CE2 PHE A 43 -10.086 10.275 1.462 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.749 9.633 0.287 1.00 0.00 C ATOM 0 H PHE A 43 -10.708 5.871 2.387 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.507 6.232 5.319 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.333 8.304 4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.522 6.973 4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.867 6.637 1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.248 10.116 3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.048 7.817 -0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.430 11.298 1.439 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.828 10.154 -0.656 1.00 0.00 H new ATOM 639 N GLY A 44 -12.579 7.557 5.458 1.00 0.00 N ATOM 640 CA GLY A 44 -13.818 8.306 5.552 1.00 0.00 C ATOM 641 C GLY A 44 -13.817 9.287 6.707 1.00 0.00 C ATOM 642 O GLY A 44 -13.007 9.172 7.628 1.00 0.00 O ATOM 0 H GLY A 44 -12.278 7.115 6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.983 8.847 4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.650 7.612 5.670 1.00 0.00 H new ATOM 646 N VAL A 45 -14.726 10.256 6.660 1.00 0.00 N ATOM 647 CA VAL A 45 -14.826 11.261 7.711 1.00 0.00 C ATOM 648 C VAL A 45 -15.602 10.728 8.910 1.00 0.00 C ATOM 649 O VAL A 45 -16.811 10.502 8.848 1.00 0.00 O ATOM 650 CB VAL A 45 -15.511 12.542 7.199 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.530 13.608 8.284 1.00 0.00 C ATOM 652 CG2 VAL A 45 -14.813 13.055 5.948 1.00 0.00 C ATOM 0 H VAL A 45 -15.403 10.366 5.905 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.808 11.500 8.018 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.543 12.303 6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.018 14.506 7.904 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.078 13.236 9.150 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.508 13.847 8.577 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.310 13.960 5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.771 13.278 6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.857 12.294 5.169 1.00 0.00 H new ATOM 662 N PRO A 46 -14.893 10.521 10.030 1.00 0.00 N ATOM 663 CA PRO A 46 -15.496 10.013 11.266 1.00 0.00 C ATOM 664 C PRO A 46 -16.420 11.033 11.922 1.00 0.00 C ATOM 665 O PRO A 46 -15.970 12.068 12.412 1.00 0.00 O ATOM 666 CB PRO A 46 -14.286 9.734 12.161 1.00 0.00 C ATOM 667 CG PRO A 46 -13.223 10.647 11.657 1.00 0.00 C ATOM 668 CD PRO A 46 -13.449 10.769 10.175 1.00 0.00 C ATOM 0 HA PRO A 46 -16.121 9.139 11.086 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.514 9.932 13.208 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.976 8.691 12.094 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.283 11.621 12.142 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.232 10.246 11.869 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.172 11.756 9.806 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.858 10.043 9.617 1.00 0.00 H new ATOM 676 N SER A 47 -17.715 10.732 11.929 1.00 0.00 N ATOM 677 CA SER A 47 -18.703 11.625 12.523 1.00 0.00 C ATOM 678 C SER A 47 -18.995 11.229 13.967 1.00 0.00 C ATOM 679 O SER A 47 -19.204 10.058 14.286 1.00 0.00 O ATOM 680 CB SER A 47 -19.996 11.605 11.705 1.00 0.00 C ATOM 681 OG SER A 47 -20.685 10.377 11.871 1.00 0.00 O ATOM 0 H SER A 47 -18.104 9.877 11.530 1.00 0.00 H new ATOM 0 HA SER A 47 -18.293 12.635 12.518 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.638 12.430 12.013 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.765 11.757 10.651 1.00 0.00 H new ATOM 0 HG SER A 47 -21.508 10.390 11.340 1.00 0.00 H new ATOM 687 N PRO A 48 -19.009 12.227 14.862 1.00 0.00 N ATOM 688 CA PRO A 48 -19.275 12.009 16.287 1.00 0.00 C ATOM 689 C PRO A 48 -20.724 11.618 16.554 1.00 0.00 C ATOM 690 O PRO A 48 -21.639 12.096 15.884 1.00 0.00 O ATOM 691 CB PRO A 48 -18.963 13.368 16.919 1.00 0.00 C ATOM 692 CG PRO A 48 -19.167 14.352 15.819 1.00 0.00 C ATOM 693 CD PRO A 48 -18.768 13.646 14.552 1.00 0.00 C ATOM 0 HA PRO A 48 -18.681 11.189 16.691 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -19.623 13.574 17.762 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -17.942 13.404 17.298 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -20.206 14.677 15.774 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -18.561 15.244 15.976 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -19.364 13.978 13.702 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -17.724 13.831 14.301 1.00 0.00 H new ATOM 701 N SER A 49 -20.926 10.747 17.537 1.00 0.00 N ATOM 702 CA SER A 49 -22.265 10.289 17.890 1.00 0.00 C ATOM 703 C SER A 49 -22.926 11.250 18.874 1.00 0.00 C ATOM 704 O SER A 49 -23.846 10.877 19.602 1.00 0.00 O ATOM 705 CB SER A 49 -22.204 8.885 18.494 1.00 0.00 C ATOM 706 OG SER A 49 -23.504 8.345 18.662 1.00 0.00 O ATOM 0 H SER A 49 -20.180 10.344 18.103 1.00 0.00 H new ATOM 0 HA SER A 49 -22.864 10.259 16.980 1.00 0.00 H new ATOM 0 HB2 SER A 49 -21.617 8.233 17.848 1.00 0.00 H new ATOM 0 HB3 SER A 49 -21.695 8.922 19.457 1.00 0.00 H new ATOM 0 HG SER A 49 -24.093 9.025 19.050 1.00 0.00 H new ATOM 712 N THR A 50 -22.448 12.491 18.891 1.00 0.00 N ATOM 713 CA THR A 50 -22.990 13.506 19.786 1.00 0.00 C ATOM 714 C THR A 50 -23.679 14.617 19.003 1.00 0.00 C ATOM 715 O THR A 50 -24.641 15.222 19.479 1.00 0.00 O ATOM 716 CB THR A 50 -21.889 14.122 20.669 1.00 0.00 C ATOM 717 OG1 THR A 50 -21.168 13.087 21.346 1.00 0.00 O ATOM 718 CG2 THR A 50 -22.486 15.082 21.687 1.00 0.00 C ATOM 0 H THR A 50 -21.687 12.817 18.295 1.00 0.00 H new ATOM 0 HA THR A 50 -23.720 13.008 20.424 1.00 0.00 H new ATOM 0 HB THR A 50 -21.207 14.678 20.026 1.00 0.00 H new ATOM 0 HG1 THR A 50 -20.469 13.487 21.904 1.00 0.00 H new ATOM 0 HG21 THR A 50 -21.689 15.505 22.299 1.00 0.00 H new ATOM 0 HG22 THR A 50 -23.009 15.885 21.167 1.00 0.00 H new ATOM 0 HG23 THR A 50 -23.188 14.545 22.325 1.00 0.00 H new ATOM 726 N LEU A 51 -23.183 14.882 17.799 1.00 0.00 N ATOM 727 CA LEU A 51 -23.752 15.922 16.949 1.00 0.00 C ATOM 728 C LEU A 51 -24.680 15.319 15.900 1.00 0.00 C ATOM 729 O LEU A 51 -24.641 14.117 15.640 1.00 0.00 O ATOM 730 CB LEU A 51 -22.637 16.715 16.265 1.00 0.00 C ATOM 731 CG LEU A 51 -22.042 17.869 17.072 1.00 0.00 C ATOM 732 CD1 LEU A 51 -20.721 18.319 16.467 1.00 0.00 C ATOM 733 CD2 LEU A 51 -23.021 19.032 17.143 1.00 0.00 C ATOM 0 H LEU A 51 -22.388 14.391 17.390 1.00 0.00 H new ATOM 0 HA LEU A 51 -24.334 16.595 17.579 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.833 16.025 16.008 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -23.025 17.115 15.328 1.00 0.00 H new ATOM 0 HG LEU A 51 -21.853 17.517 18.086 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.313 19.141 17.055 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.017 17.487 16.470 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -20.885 18.652 15.442 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -22.580 19.844 17.721 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -23.243 19.383 16.135 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -23.942 18.703 17.623 1.00 0.00 H new ATOM 745 N GLU A 52 -25.513 16.163 15.299 1.00 0.00 N ATOM 746 CA GLU A 52 -26.450 15.713 14.277 1.00 0.00 C ATOM 747 C GLU A 52 -25.764 15.606 12.918 1.00 0.00 C ATOM 748 O GLU A 52 -24.782 16.292 12.635 1.00 0.00 O ATOM 749 CB GLU A 52 -27.639 16.672 14.185 1.00 0.00 C ATOM 750 CG GLU A 52 -28.629 16.525 15.328 1.00 0.00 C ATOM 751 CD GLU A 52 -29.685 15.471 15.054 1.00 0.00 C ATOM 752 OE1 GLU A 52 -30.483 15.662 14.113 1.00 0.00 O ATOM 753 OE2 GLU A 52 -29.713 14.456 15.780 1.00 0.00 O ATOM 0 H GLU A 52 -25.558 17.162 15.502 1.00 0.00 H new ATOM 0 HA GLU A 52 -26.810 14.725 14.562 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -27.268 17.697 14.166 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -28.158 16.504 13.242 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -28.090 16.266 16.239 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -29.116 17.484 15.507 1.00 0.00 H new ATOM 760 N PRO A 53 -26.291 14.723 12.057 1.00 0.00 N ATOM 761 CA PRO A 53 -25.746 14.504 10.714 1.00 0.00 C ATOM 762 C PRO A 53 -25.983 15.695 9.791 1.00 0.00 C ATOM 763 O PRO A 53 -27.003 16.377 9.891 1.00 0.00 O ATOM 764 CB PRO A 53 -26.515 13.279 10.214 1.00 0.00 C ATOM 765 CG PRO A 53 -27.793 13.296 10.978 1.00 0.00 C ATOM 766 CD PRO A 53 -27.461 13.871 12.328 1.00 0.00 C ATOM 0 HA PRO A 53 -24.665 14.368 10.730 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -26.695 13.336 9.140 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -25.957 12.360 10.396 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -28.543 13.902 10.470 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -28.205 12.291 11.072 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -28.292 14.447 12.735 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -27.230 13.090 13.052 1.00 0.00 H new ATOM 774 N HIS A 54 -25.035 15.938 8.892 1.00 0.00 N ATOM 775 CA HIS A 54 -25.142 17.047 7.949 1.00 0.00 C ATOM 776 C HIS A 54 -25.943 16.637 6.718 1.00 0.00 C ATOM 777 O HIS A 54 -25.838 15.514 6.223 1.00 0.00 O ATOM 778 CB HIS A 54 -23.751 17.524 7.531 1.00 0.00 C ATOM 779 CG HIS A 54 -23.109 18.444 8.525 1.00 0.00 C ATOM 780 ND1 HIS A 54 -21.743 18.552 8.678 1.00 0.00 N ATOM 781 CD2 HIS A 54 -23.655 19.302 9.418 1.00 0.00 C ATOM 782 CE1 HIS A 54 -21.477 19.435 9.623 1.00 0.00 C ATOM 783 NE2 HIS A 54 -22.620 19.906 10.088 1.00 0.00 N ATOM 0 H HIS A 54 -24.185 15.383 8.796 1.00 0.00 H new ATOM 0 HA HIS A 54 -25.665 17.865 8.445 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -23.108 16.657 7.383 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.824 18.034 6.571 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -24.709 19.479 9.574 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -20.492 19.723 9.959 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -22.718 20.605 10.825 1.00 0.00 H new ATOM 792 N PRO A 55 -26.765 17.568 6.209 1.00 0.00 N ATOM 793 CA PRO A 55 -27.601 17.326 5.029 1.00 0.00 C ATOM 794 C PRO A 55 -26.778 17.213 3.750 1.00 0.00 C ATOM 795 O PRO A 55 -27.319 16.958 2.674 1.00 0.00 O ATOM 796 CB PRO A 55 -28.504 18.560 4.976 1.00 0.00 C ATOM 797 CG PRO A 55 -27.733 19.625 5.676 1.00 0.00 C ATOM 798 CD PRO A 55 -26.941 18.927 6.747 1.00 0.00 C ATOM 0 HA PRO A 55 -28.146 16.385 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -28.726 18.844 3.947 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -29.458 18.374 5.469 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -27.075 20.150 4.983 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -28.401 20.370 6.108 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -25.983 19.417 6.923 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -27.473 18.917 7.698 1.00 0.00 H new ATOM 806 N ARG A 56 -25.469 17.403 3.875 1.00 0.00 N ATOM 807 CA ARG A 56 -24.573 17.323 2.728 1.00 0.00 C ATOM 808 C ARG A 56 -23.992 15.918 2.589 1.00 0.00 C ATOM 809 O ARG A 56 -23.428 15.358 3.529 1.00 0.00 O ATOM 810 CB ARG A 56 -23.441 18.343 2.866 1.00 0.00 C ATOM 811 CG ARG A 56 -22.827 18.755 1.538 1.00 0.00 C ATOM 812 CD ARG A 56 -21.721 17.800 1.115 1.00 0.00 C ATOM 813 NE ARG A 56 -20.955 18.316 -0.016 1.00 0.00 N ATOM 814 CZ ARG A 56 -19.785 17.818 -0.400 1.00 0.00 C ATOM 815 NH1 ARG A 56 -19.250 16.796 0.253 1.00 0.00 N ATOM 816 NH2 ARG A 56 -19.149 18.342 -1.440 1.00 0.00 N ATOM 0 H ARG A 56 -25.005 17.613 4.759 1.00 0.00 H new ATOM 0 HA ARG A 56 -25.150 17.550 1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -23.823 19.230 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -22.662 17.924 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -23.601 18.780 0.771 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -22.426 19.765 1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -21.051 17.625 1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -22.156 16.837 0.849 1.00 0.00 H new ATOM 0 HE ARG A 56 -21.340 19.102 -0.540 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -19.737 16.390 1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.351 16.415 -0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -19.559 19.128 -1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -18.251 17.959 -1.734 1.00 0.00 H new ATOM 830 N PRO A 57 -24.133 15.335 1.389 1.00 0.00 N ATOM 831 CA PRO A 57 -23.629 13.990 1.099 1.00 0.00 C ATOM 832 C PRO A 57 -22.106 13.938 1.054 1.00 0.00 C ATOM 833 O PRO A 57 -21.462 14.807 0.464 1.00 0.00 O ATOM 834 CB PRO A 57 -24.216 13.682 -0.281 1.00 0.00 C ATOM 835 CG PRO A 57 -24.440 15.016 -0.904 1.00 0.00 C ATOM 836 CD PRO A 57 -24.795 15.945 0.224 1.00 0.00 C ATOM 0 HA PRO A 57 -23.914 13.273 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -23.532 13.077 -0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -25.148 13.122 -0.199 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -23.546 15.359 -1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -25.242 14.973 -1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -24.433 16.957 0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -25.874 16.013 0.365 1.00 0.00 H new ATOM 844 N LEU A 58 -21.535 12.916 1.681 1.00 0.00 N ATOM 845 CA LEU A 58 -20.086 12.750 1.712 1.00 0.00 C ATOM 846 C LEU A 58 -19.643 11.649 0.754 1.00 0.00 C ATOM 847 O LEU A 58 -19.931 10.471 0.970 1.00 0.00 O ATOM 848 CB LEU A 58 -19.620 12.425 3.132 1.00 0.00 C ATOM 849 CG LEU A 58 -20.194 13.303 4.244 1.00 0.00 C ATOM 850 CD1 LEU A 58 -21.525 12.749 4.728 1.00 0.00 C ATOM 851 CD2 LEU A 58 -19.209 13.414 5.399 1.00 0.00 C ATOM 0 H LEU A 58 -22.053 12.189 2.175 1.00 0.00 H new ATOM 0 HA LEU A 58 -19.631 13.688 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.875 11.387 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.533 12.500 3.162 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.364 14.301 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.918 13.387 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -22.231 12.723 3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.380 11.740 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -19.635 14.043 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -19.007 12.421 5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -18.279 13.858 5.043 1.00 0.00 H new ATOM 863 N LEU A 59 -18.939 12.039 -0.303 1.00 0.00 N ATOM 864 CA LEU A 59 -18.453 11.084 -1.293 1.00 0.00 C ATOM 865 C LEU A 59 -17.346 10.211 -0.711 1.00 0.00 C ATOM 866 O LEU A 59 -16.385 10.716 -0.132 1.00 0.00 O ATOM 867 CB LEU A 59 -17.939 11.821 -2.531 1.00 0.00 C ATOM 868 CG LEU A 59 -17.473 10.940 -3.691 1.00 0.00 C ATOM 869 CD1 LEU A 59 -18.661 10.475 -4.519 1.00 0.00 C ATOM 870 CD2 LEU A 59 -16.474 11.689 -4.562 1.00 0.00 C ATOM 0 H LEU A 59 -18.692 13.010 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 59 -19.285 10.440 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -18.731 12.476 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.109 12.460 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.978 10.061 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -18.310 9.849 -5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -19.341 9.900 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -19.185 11.342 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.153 11.047 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.944 12.586 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.609 11.971 -3.963 1.00 0.00 H new ATOM 882 N GLN A 60 -17.489 8.899 -0.870 1.00 0.00 N ATOM 883 CA GLN A 60 -16.500 7.956 -0.361 1.00 0.00 C ATOM 884 C GLN A 60 -15.310 7.851 -1.308 1.00 0.00 C ATOM 885 O GLN A 60 -15.400 8.226 -2.478 1.00 0.00 O ATOM 886 CB GLN A 60 -17.134 6.578 -0.163 1.00 0.00 C ATOM 887 CG GLN A 60 -17.445 5.859 -1.466 1.00 0.00 C ATOM 888 CD GLN A 60 -18.800 6.236 -2.031 1.00 0.00 C ATOM 889 OE1 GLN A 60 -19.832 5.731 -1.589 1.00 0.00 O ATOM 890 NE2 GLN A 60 -18.803 7.128 -3.015 1.00 0.00 N ATOM 0 H GLN A 60 -18.279 8.465 -1.347 1.00 0.00 H new ATOM 0 HA GLN A 60 -16.143 8.325 0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -16.462 5.960 0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -18.055 6.690 0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -16.672 6.092 -2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -17.412 4.782 -1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -17.923 7.521 -3.350 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -19.685 7.420 -3.436 1.00 0.00 H new ATOM 899 N ARG A 61 -14.196 7.339 -0.796 1.00 0.00 N ATOM 900 CA ARG A 61 -12.987 7.186 -1.597 1.00 0.00 C ATOM 901 C ARG A 61 -12.186 5.969 -1.145 1.00 0.00 C ATOM 902 O ARG A 61 -12.309 5.522 -0.005 1.00 0.00 O ATOM 903 CB ARG A 61 -12.122 8.444 -1.499 1.00 0.00 C ATOM 904 CG ARG A 61 -11.157 8.612 -2.661 1.00 0.00 C ATOM 905 CD ARG A 61 -11.833 9.264 -3.857 1.00 0.00 C ATOM 906 NE ARG A 61 -12.936 8.455 -4.370 1.00 0.00 N ATOM 907 CZ ARG A 61 -12.765 7.319 -5.037 1.00 0.00 C ATOM 908 NH1 ARG A 61 -11.544 6.860 -5.270 1.00 0.00 N ATOM 909 NH2 ARG A 61 -13.819 6.640 -5.472 1.00 0.00 N ATOM 0 H ARG A 61 -14.105 7.023 0.170 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.285 7.038 -2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.771 9.318 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.555 8.413 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.308 9.219 -2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.762 7.638 -2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.207 10.247 -3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.099 9.420 -4.648 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.889 8.780 -4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.732 7.379 -4.937 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.416 5.987 -5.782 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.760 6.990 -5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.688 5.768 -5.984 1.00 0.00 H new ATOM 923 N GLU A 62 -11.366 5.438 -2.046 1.00 0.00 N ATOM 924 CA GLU A 62 -10.547 4.271 -1.740 1.00 0.00 C ATOM 925 C GLU A 62 -9.322 4.213 -2.648 1.00 0.00 C ATOM 926 O GLU A 62 -9.403 4.517 -3.839 1.00 0.00 O ATOM 927 CB GLU A 62 -11.368 2.989 -1.890 1.00 0.00 C ATOM 928 CG GLU A 62 -12.220 2.956 -3.148 1.00 0.00 C ATOM 929 CD GLU A 62 -12.549 1.544 -3.593 1.00 0.00 C ATOM 930 OE1 GLU A 62 -12.986 0.740 -2.743 1.00 0.00 O ATOM 931 OE2 GLU A 62 -12.370 1.244 -4.792 1.00 0.00 O ATOM 0 H GLU A 62 -11.251 5.797 -2.994 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.209 4.358 -0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.693 2.134 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.015 2.878 -1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.146 3.502 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.695 3.473 -3.951 1.00 0.00 H new ATOM 938 N LEU A 63 -8.188 3.821 -2.078 1.00 0.00 N ATOM 939 CA LEU A 63 -6.945 3.722 -2.835 1.00 0.00 C ATOM 940 C LEU A 63 -6.540 2.265 -3.030 1.00 0.00 C ATOM 941 O LEU A 63 -6.667 1.448 -2.119 1.00 0.00 O ATOM 942 CB LEU A 63 -5.827 4.483 -2.119 1.00 0.00 C ATOM 943 CG LEU A 63 -4.411 3.940 -2.319 1.00 0.00 C ATOM 944 CD1 LEU A 63 -3.397 5.074 -2.295 1.00 0.00 C ATOM 945 CD2 LEU A 63 -4.081 2.905 -1.254 1.00 0.00 C ATOM 0 H LEU A 63 -8.104 3.566 -1.094 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.110 4.168 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.848 5.520 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.045 4.489 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.362 3.456 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.395 4.669 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.621 5.780 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.447 5.586 -1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.070 2.530 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.148 3.364 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.789 2.079 -1.318 1.00 0.00 H new ATOM 957 N MET A 64 -6.051 1.947 -4.224 1.00 0.00 N ATOM 958 CA MET A 64 -5.624 0.588 -4.538 1.00 0.00 C ATOM 959 C MET A 64 -4.111 0.523 -4.723 1.00 0.00 C ATOM 960 O MET A 64 -3.502 1.443 -5.268 1.00 0.00 O ATOM 961 CB MET A 64 -6.326 0.089 -5.802 1.00 0.00 C ATOM 962 CG MET A 64 -7.591 -0.705 -5.522 1.00 0.00 C ATOM 963 SD MET A 64 -8.582 -0.979 -7.003 1.00 0.00 S ATOM 964 CE MET A 64 -9.366 -2.539 -6.602 1.00 0.00 C ATOM 0 H MET A 64 -5.940 2.611 -4.990 1.00 0.00 H new ATOM 0 HA MET A 64 -5.898 -0.055 -3.701 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.575 0.944 -6.431 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.635 -0.533 -6.370 1.00 0.00 H new ATOM 0 HG2 MET A 64 -7.322 -1.667 -5.086 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.191 -0.176 -4.781 1.00 0.00 H new ATOM 0 HE1 MET A 64 -9.794 -2.974 -7.505 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.625 -3.222 -6.186 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.156 -2.372 -5.870 1.00 0.00 H new ATOM 974 N VAL A 65 -3.510 -0.571 -4.265 1.00 0.00 N ATOM 975 CA VAL A 65 -2.068 -0.756 -4.381 1.00 0.00 C ATOM 976 C VAL A 65 -1.701 -2.236 -4.359 1.00 0.00 C ATOM 977 O VAL A 65 -2.232 -3.022 -3.574 1.00 0.00 O ATOM 978 CB VAL A 65 -1.317 -0.036 -3.245 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.060 0.409 -3.715 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.125 1.149 -2.740 1.00 0.00 C ATOM 0 H VAL A 65 -3.999 -1.342 -3.810 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.769 -0.324 -5.336 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.185 -0.735 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.576 0.916 -2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.638 -0.462 -4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.046 1.092 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.580 1.646 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.289 1.852 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.086 0.800 -2.363 1.00 0.00 H new ATOM 990 N PRO A 66 -0.770 -2.627 -5.242 1.00 0.00 N ATOM 991 CA PRO A 66 -0.310 -4.015 -5.344 1.00 0.00 C ATOM 992 C PRO A 66 0.516 -4.442 -4.135 1.00 0.00 C ATOM 993 O PRO A 66 1.317 -3.668 -3.614 1.00 0.00 O ATOM 994 CB PRO A 66 0.554 -4.011 -6.607 1.00 0.00 C ATOM 995 CG PRO A 66 1.019 -2.602 -6.743 1.00 0.00 C ATOM 996 CD PRO A 66 -0.095 -1.745 -6.208 1.00 0.00 C ATOM 0 HA PRO A 66 -1.142 -4.718 -5.383 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.395 -4.698 -6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.019 -4.325 -7.480 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.940 -2.439 -6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.232 -2.360 -7.784 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.286 -0.843 -5.730 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.771 -1.424 -7.000 1.00 0.00 H new ATOM 1004 N GLY A 67 0.315 -5.681 -3.694 1.00 0.00 N ATOM 1005 CA GLY A 67 1.049 -6.189 -2.550 1.00 0.00 C ATOM 1006 C GLY A 67 2.462 -5.646 -2.480 1.00 0.00 C ATOM 1007 O GLY A 67 2.907 -5.184 -1.428 1.00 0.00 O ATOM 0 H GLY A 67 -0.343 -6.341 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.517 -5.927 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.083 -7.277 -2.598 1.00 0.00 H new ATOM 1011 N THR A 68 3.172 -5.701 -3.602 1.00 0.00 N ATOM 1012 CA THR A 68 4.544 -5.213 -3.663 1.00 0.00 C ATOM 1013 C THR A 68 4.654 -3.806 -3.088 1.00 0.00 C ATOM 1014 O THR A 68 5.573 -3.506 -2.326 1.00 0.00 O ATOM 1015 CB THR A 68 5.075 -5.207 -5.109 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.415 -4.705 -5.137 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.190 -4.355 -6.006 1.00 0.00 C ATOM 0 H THR A 68 2.819 -6.079 -4.481 1.00 0.00 H new ATOM 0 HA THR A 68 5.148 -5.895 -3.065 1.00 0.00 H new ATOM 0 HB THR A 68 5.064 -6.231 -5.481 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.745 -4.706 -6.060 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.584 -4.366 -7.022 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.177 -4.757 -6.006 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.174 -3.331 -5.634 1.00 0.00 H new ATOM 1025 N ARG A 69 3.709 -2.946 -3.456 1.00 0.00 N ATOM 1026 CA ARG A 69 3.701 -1.569 -2.976 1.00 0.00 C ATOM 1027 C ARG A 69 2.807 -1.428 -1.747 1.00 0.00 C ATOM 1028 O ARG A 69 1.627 -1.777 -1.781 1.00 0.00 O ATOM 1029 CB ARG A 69 3.221 -0.625 -4.080 1.00 0.00 C ATOM 1030 CG ARG A 69 4.349 -0.039 -4.914 1.00 0.00 C ATOM 1031 CD ARG A 69 3.814 0.778 -6.079 1.00 0.00 C ATOM 1032 NE ARG A 69 4.887 1.413 -6.840 1.00 0.00 N ATOM 1033 CZ ARG A 69 4.684 2.380 -7.729 1.00 0.00 C ATOM 1034 NH1 ARG A 69 3.457 2.820 -7.967 1.00 0.00 N ATOM 1035 NH2 ARG A 69 5.712 2.908 -8.381 1.00 0.00 N ATOM 0 H ARG A 69 2.940 -3.178 -4.084 1.00 0.00 H new ATOM 0 HA ARG A 69 4.720 -1.301 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.538 -1.165 -4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.653 0.189 -3.629 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.978 0.591 -4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.980 -0.844 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.235 0.132 -6.739 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.134 1.543 -5.704 1.00 0.00 H new ATOM 0 HE ARG A 69 5.844 1.097 -6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.665 2.416 -7.467 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.305 3.562 -8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.658 2.572 -8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.556 3.650 -9.063 1.00 0.00 H new ATOM 1049 N HIS A 70 3.379 -0.913 -0.663 1.00 0.00 N ATOM 1050 CA HIS A 70 2.635 -0.725 0.577 1.00 0.00 C ATOM 1051 C HIS A 70 2.576 0.751 0.957 1.00 0.00 C ATOM 1052 O HIS A 70 3.166 1.169 1.954 1.00 0.00 O ATOM 1053 CB HIS A 70 3.276 -1.530 1.708 1.00 0.00 C ATOM 1054 CG HIS A 70 3.668 -2.919 1.308 1.00 0.00 C ATOM 1055 ND1 HIS A 70 4.875 -3.218 0.713 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.004 -4.094 1.421 1.00 0.00 C ATOM 1057 CE1 HIS A 70 4.937 -4.516 0.476 1.00 0.00 C ATOM 1058 NE2 HIS A 70 3.814 -5.071 0.897 1.00 0.00 N ATOM 0 H HIS A 70 4.355 -0.619 -0.618 1.00 0.00 H new ATOM 0 HA HIS A 70 1.617 -1.082 0.419 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.160 -1.000 2.064 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.579 -1.585 2.544 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.606 -2.542 0.490 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.021 -4.236 1.844 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.765 -5.035 0.016 1.00 0.00 H new ATOM 1067 N SER A 71 1.863 1.536 0.156 1.00 0.00 N ATOM 1068 CA SER A 71 1.732 2.966 0.406 1.00 0.00 C ATOM 1069 C SER A 71 0.320 3.447 0.082 1.00 0.00 C ATOM 1070 O SER A 71 -0.358 2.882 -0.775 1.00 0.00 O ATOM 1071 CB SER A 71 2.752 3.746 -0.425 1.00 0.00 C ATOM 1072 OG SER A 71 2.426 3.703 -1.804 1.00 0.00 O ATOM 0 H SER A 71 1.367 1.205 -0.672 1.00 0.00 H new ATOM 0 HA SER A 71 1.924 3.144 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.784 4.782 -0.088 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.747 3.329 -0.270 1.00 0.00 H new ATOM 0 HG SER A 71 3.092 4.210 -2.314 1.00 0.00 H new ATOM 1078 N ALA A 72 -0.114 4.495 0.774 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.443 5.054 0.560 1.00 0.00 C ATOM 1080 C ALA A 72 -1.476 6.539 0.903 1.00 0.00 C ATOM 1081 O ALA A 72 -1.170 6.934 2.028 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.474 4.297 1.384 1.00 0.00 C ATOM 0 H ALA A 72 0.435 4.974 1.488 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.689 4.946 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.462 4.726 1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.478 3.248 1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.222 4.374 2.442 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.849 7.360 -0.074 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.922 8.803 0.125 1.00 0.00 C ATOM 1090 C VAL A 73 -3.325 9.326 -0.158 1.00 0.00 C ATOM 1091 O VAL A 73 -3.905 9.044 -1.207 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.917 9.545 -0.777 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -1.282 11.018 -0.883 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.499 9.375 -0.249 1.00 0.00 C ATOM 0 H VAL A 73 -2.105 7.050 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.671 8.992 1.169 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.962 9.111 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.561 11.526 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.280 11.116 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.267 11.469 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.196 9.905 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.562 9.782 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.756 8.316 -0.230 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.867 10.090 0.784 1.00 0.00 N ATOM 1105 CA LEU A 74 -5.204 10.655 0.637 1.00 0.00 C ATOM 1106 C LEU A 74 -5.149 12.178 0.587 1.00 0.00 C ATOM 1107 O LEU A 74 -4.715 12.825 1.540 1.00 0.00 O ATOM 1108 CB LEU A 74 -6.099 10.203 1.791 1.00 0.00 C ATOM 1109 CG LEU A 74 -6.166 8.696 2.039 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.267 7.942 0.722 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.953 8.231 2.831 1.00 0.00 C ATOM 0 H LEU A 74 -3.401 10.333 1.658 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.623 10.294 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.752 10.686 2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.110 10.565 1.604 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.060 8.483 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.314 6.871 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.168 8.253 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.392 8.161 0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.018 7.156 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.045 8.457 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.926 8.746 3.791 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.594 12.745 -0.530 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.596 14.192 -0.704 1.00 0.00 C ATOM 1125 C ARG A 75 -7.009 14.754 -0.571 1.00 0.00 C ATOM 1126 O ARG A 75 -7.976 14.003 -0.439 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.015 14.564 -2.069 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.540 14.227 -2.216 1.00 0.00 C ATOM 1129 CD ARG A 75 -2.945 14.860 -3.463 1.00 0.00 C ATOM 1130 NE ARG A 75 -1.768 14.137 -3.937 1.00 0.00 N ATOM 1131 CZ ARG A 75 -1.135 14.424 -5.068 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -1.563 15.414 -5.839 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -0.070 13.719 -5.432 1.00 0.00 N ATOM 0 H ARG A 75 -5.958 12.224 -1.328 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.975 14.627 0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.576 14.046 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.153 15.633 -2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.997 14.574 -1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.416 13.145 -2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.697 14.884 -4.251 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.674 15.894 -3.250 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.413 13.369 -3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.381 15.958 -5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.074 15.632 -6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.262 12.956 -4.842 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.415 13.941 -6.301 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.120 16.077 -0.605 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.414 16.739 -0.488 1.00 0.00 C ATOM 1149 C ASP A 76 -9.010 16.526 0.899 1.00 0.00 C ATOM 1150 O ASP A 76 -10.225 16.393 1.051 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.376 16.217 -1.556 1.00 0.00 C ATOM 1152 CG ASP A 76 -10.651 17.032 -1.635 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -10.557 18.271 -1.761 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -11.744 16.431 -1.572 1.00 0.00 O ATOM 0 H ASP A 76 -6.329 16.712 -0.713 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.262 17.808 -0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.879 16.230 -2.526 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.625 15.178 -1.340 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.148 16.493 1.910 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.589 16.294 3.286 1.00 0.00 C ATOM 1161 C LEU A 77 -8.817 17.632 3.983 1.00 0.00 C ATOM 1162 O LEU A 77 -8.652 18.693 3.381 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.558 15.472 4.060 1.00 0.00 C ATOM 1164 CG LEU A 77 -7.062 14.199 3.373 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -5.987 13.524 4.210 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.220 13.244 3.120 1.00 0.00 C ATOM 0 H LEU A 77 -7.140 16.602 1.802 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.534 15.751 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.697 16.108 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.990 15.197 5.022 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.626 14.474 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.647 12.620 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.146 14.205 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.396 13.262 5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.849 12.344 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.685 12.976 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.957 13.728 2.479 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.193 17.573 5.256 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.442 18.780 6.036 1.00 0.00 C ATOM 1180 C ARG A 78 -8.197 19.188 6.818 1.00 0.00 C ATOM 1181 O ARG A 78 -7.256 18.407 6.957 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.612 18.560 6.997 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.371 19.833 7.334 1.00 0.00 C ATOM 1184 CD ARG A 78 -12.822 19.540 7.682 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.411 20.596 8.501 1.00 0.00 N ATOM 1186 CZ ARG A 78 -14.621 20.516 9.045 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -15.365 19.434 8.858 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -15.088 21.518 9.778 1.00 0.00 N ATOM 0 H ARG A 78 -9.332 16.703 5.769 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.695 19.584 5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.303 17.841 6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.236 18.117 7.919 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.888 20.334 8.173 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.330 20.518 6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.400 19.428 6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.883 18.591 8.215 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.864 21.441 8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.009 18.661 8.296 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.293 19.375 9.276 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.518 22.351 9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.017 21.455 10.195 1.00 0.00 H new ATOM 1202 N SER A 79 -8.200 20.416 7.326 1.00 0.00 N ATOM 1203 CA SER A 79 -7.069 20.930 8.090 1.00 0.00 C ATOM 1204 C SER A 79 -7.178 20.528 9.558 1.00 0.00 C ATOM 1205 O SER A 79 -8.264 20.535 10.136 1.00 0.00 O ATOM 1206 CB SER A 79 -6.996 22.453 7.970 1.00 0.00 C ATOM 1207 OG SER A 79 -8.188 23.060 8.437 1.00 0.00 O ATOM 0 H SER A 79 -8.973 21.074 7.222 1.00 0.00 H new ATOM 0 HA SER A 79 -6.157 20.496 7.680 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.146 22.825 8.542 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.826 22.731 6.930 1.00 0.00 H new ATOM 0 HG SER A 79 -8.115 24.033 8.351 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.043 20.178 10.155 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.031 19.778 11.550 1.00 0.00 C ATOM 1215 C GLY A 80 -7.255 18.969 11.931 1.00 0.00 C ATOM 1216 O GLY A 80 -7.927 19.271 12.918 1.00 0.00 O ATOM 0 H GLY A 80 -5.131 20.164 9.698 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.135 19.191 11.749 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.976 20.666 12.179 1.00 0.00 H new ATOM 1220 N THR A 81 -7.549 17.937 11.146 1.00 0.00 N ATOM 1221 CA THR A 81 -8.702 17.084 11.405 1.00 0.00 C ATOM 1222 C THR A 81 -8.294 15.617 11.485 1.00 0.00 C ATOM 1223 O THR A 81 -7.293 15.207 10.896 1.00 0.00 O ATOM 1224 CB THR A 81 -9.777 17.246 10.313 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.220 18.607 10.261 1.00 0.00 O ATOM 1226 CG2 THR A 81 -10.962 16.331 10.581 1.00 0.00 C ATOM 0 H THR A 81 -7.004 17.672 10.325 1.00 0.00 H new ATOM 0 HA THR A 81 -9.117 17.396 12.363 1.00 0.00 H new ATOM 0 HB THR A 81 -9.336 16.971 9.355 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.454 19.194 10.093 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.708 16.463 9.797 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.626 15.294 10.592 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.402 16.579 11.547 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.074 14.830 12.218 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.794 13.407 12.375 1.00 0.00 C ATOM 1236 C LEU A 82 -9.504 12.590 11.301 1.00 0.00 C ATOM 1237 O LEU A 82 -10.700 12.761 11.066 1.00 0.00 O ATOM 1238 CB LEU A 82 -9.228 12.932 13.763 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.679 11.577 14.210 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -9.197 10.468 13.308 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -7.158 11.593 14.219 1.00 0.00 C ATOM 0 H LEU A 82 -9.905 15.153 12.713 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.720 13.260 12.266 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.926 13.683 14.493 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.317 12.886 13.785 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.025 11.384 15.225 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.796 9.511 13.641 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.286 10.441 13.353 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.881 10.656 12.282 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.786 10.620 14.540 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.790 11.809 13.216 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.806 12.361 14.908 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.759 11.702 10.652 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.317 10.858 9.602 1.00 0.00 C ATOM 1255 C TYR A 83 -9.175 9.381 9.956 1.00 0.00 C ATOM 1256 O TYR A 83 -8.143 8.952 10.472 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.625 11.143 8.268 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.261 12.268 7.484 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -8.951 13.595 7.758 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.172 12.005 6.468 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.530 14.626 7.044 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -10.755 13.030 5.748 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.431 14.339 6.040 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.009 15.363 5.326 1.00 0.00 O ATOM 0 H TYR A 83 -7.767 11.548 10.835 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.378 11.090 9.511 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.580 11.388 8.456 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.636 10.237 7.662 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.245 13.824 8.543 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.429 10.982 6.237 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.278 15.652 7.271 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.460 12.808 4.961 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.619 14.991 4.655 1.00 0.00 H new ATOM 1274 N SER A 84 -10.219 8.609 9.675 1.00 0.00 N ATOM 1275 CA SER A 84 -10.214 7.180 9.967 1.00 0.00 C ATOM 1276 C SER A 84 -9.804 6.376 8.737 1.00 0.00 C ATOM 1277 O SER A 84 -10.576 6.232 7.788 1.00 0.00 O ATOM 1278 CB SER A 84 -11.595 6.730 10.446 1.00 0.00 C ATOM 1279 OG SER A 84 -11.609 5.342 10.733 1.00 0.00 O ATOM 0 H SER A 84 -11.080 8.949 9.245 1.00 0.00 H new ATOM 0 HA SER A 84 -9.486 6.999 10.758 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.875 7.292 11.337 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.339 6.954 9.682 1.00 0.00 H new ATOM 0 HG SER A 84 -12.503 5.080 11.039 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.582 5.854 8.759 1.00 0.00 N ATOM 1286 CA LEU A 85 -8.067 5.064 7.646 1.00 0.00 C ATOM 1287 C LEU A 85 -8.186 3.572 7.937 1.00 0.00 C ATOM 1288 O LEU A 85 -7.996 3.131 9.072 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.607 5.427 7.371 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.201 6.867 7.687 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.687 6.997 7.737 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.787 7.824 6.660 1.00 0.00 C ATOM 0 H LEU A 85 -7.930 5.964 9.535 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.664 5.292 6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.972 4.757 7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.398 5.235 6.319 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.599 7.129 8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.418 8.029 7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.291 6.340 8.512 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.266 6.715 6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.488 8.844 6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.419 7.563 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.875 7.752 6.675 1.00 0.00 H new ATOM 1304 N THR A 86 -8.500 2.796 6.904 1.00 0.00 N ATOM 1305 CA THR A 86 -8.643 1.353 7.048 1.00 0.00 C ATOM 1306 C THR A 86 -8.136 0.624 5.809 1.00 0.00 C ATOM 1307 O THR A 86 -8.710 0.746 4.726 1.00 0.00 O ATOM 1308 CB THR A 86 -10.110 0.956 7.299 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.653 1.738 8.369 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.220 -0.523 7.638 1.00 0.00 C ATOM 0 H THR A 86 -8.660 3.143 5.958 1.00 0.00 H new ATOM 0 HA THR A 86 -8.043 1.060 7.910 1.00 0.00 H new ATOM 0 HB THR A 86 -10.676 1.146 6.387 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.586 1.481 8.521 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.265 -0.780 7.811 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.833 -1.116 6.809 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.641 -0.734 8.537 1.00 0.00 H new ATOM 1318 N LEU A 87 -7.059 -0.135 5.974 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.474 -0.886 4.868 1.00 0.00 C ATOM 1320 C LEU A 87 -7.010 -2.314 4.836 1.00 0.00 C ATOM 1321 O LEU A 87 -7.255 -2.919 5.880 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.950 -0.903 4.987 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.187 -1.412 3.763 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.226 -0.383 2.644 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.749 -1.746 4.132 1.00 0.00 C ATOM 0 H LEU A 87 -6.572 -0.247 6.863 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.753 -0.392 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.611 0.110 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.679 -1.522 5.842 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.671 -2.322 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.678 -0.762 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.261 -0.192 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.767 0.544 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.221 -2.107 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.254 -0.852 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.741 -2.519 4.901 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.187 -2.846 3.632 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.693 -4.203 3.464 1.00 0.00 C ATOM 1339 C TYR A 88 -6.736 -5.041 2.622 1.00 0.00 C ATOM 1340 O TYR A 88 -6.498 -4.745 1.452 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.076 -4.177 2.809 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.147 -3.562 3.682 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.608 -4.218 4.816 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.697 -2.324 3.372 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.587 -3.660 5.616 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.675 -1.758 4.166 1.00 0.00 C ATOM 1347 CZ TYR A 88 -12.117 -2.430 5.287 1.00 0.00 C ATOM 1348 OH TYR A 88 -13.091 -1.870 6.081 1.00 0.00 O ATOM 0 H TYR A 88 -6.988 -2.359 2.758 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.774 -4.658 4.451 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.016 -3.619 1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.367 -5.196 2.554 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.194 -5.181 5.077 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.354 -1.795 2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.935 -4.184 6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.091 -0.795 3.911 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.356 -1.002 5.711 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.190 -6.092 3.228 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.265 -6.958 2.520 1.00 0.00 C ATOM 1360 C GLY A 89 -5.975 -7.972 1.645 1.00 0.00 C ATOM 1361 O GLY A 89 -6.297 -9.073 2.094 1.00 0.00 O ATOM 0 H GLY A 89 -6.372 -6.359 4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.603 -6.350 1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.637 -7.481 3.241 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.221 -7.602 0.394 1.00 0.00 N ATOM 1366 CA LEU A 90 -6.899 -8.487 -0.547 1.00 0.00 C ATOM 1367 C LEU A 90 -6.008 -9.666 -0.925 1.00 0.00 C ATOM 1368 O LEU A 90 -5.034 -9.510 -1.662 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.302 -7.715 -1.804 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.640 -6.978 -1.738 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -9.776 -7.955 -1.480 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.604 -5.902 -0.662 1.00 0.00 C ATOM 0 H LEU A 90 -5.961 -6.695 0.007 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.795 -8.873 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.520 -6.989 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.335 -8.413 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.815 -6.496 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.720 -7.412 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.816 -8.688 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.608 -8.467 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.565 -5.388 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.406 -6.362 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.816 -5.185 -0.891 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.348 -10.846 -0.416 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.580 -12.051 -0.700 1.00 0.00 C ATOM 1386 C ARG A 91 -6.060 -12.711 -1.990 1.00 0.00 C ATOM 1387 O ARG A 91 -5.653 -13.824 -2.319 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.691 -13.039 0.462 1.00 0.00 C ATOM 1389 CG ARG A 91 -4.617 -14.115 0.452 1.00 0.00 C ATOM 1390 CD ARG A 91 -4.823 -15.118 1.577 1.00 0.00 C ATOM 1391 NE ARG A 91 -3.662 -15.987 1.755 1.00 0.00 N ATOM 1392 CZ ARG A 91 -3.641 -17.024 2.584 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -4.711 -17.320 3.308 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -2.547 -17.767 2.690 1.00 0.00 N ATOM 0 H ARG A 91 -7.151 -10.992 0.196 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.536 -11.764 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.634 -12.489 1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.671 -13.515 0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.629 -14.634 -0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.635 -13.652 0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.022 -14.584 2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.702 -15.726 1.364 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.822 -15.786 1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.554 -16.751 3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.692 -18.117 3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.722 -17.542 2.135 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.531 -18.564 3.327 1.00 0.00 H new ATOM 1408 N GLY A 92 -6.931 -12.015 -2.716 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.453 -12.550 -3.960 1.00 0.00 C ATOM 1410 C GLY A 92 -8.908 -12.186 -4.181 1.00 0.00 C ATOM 1411 O GLY A 92 -9.239 -11.062 -4.557 1.00 0.00 O ATOM 0 H GLY A 92 -7.284 -11.091 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.857 -12.175 -4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.349 -13.635 -3.957 1.00 0.00 H new ATOM 1415 N PRO A 93 -9.806 -13.155 -3.945 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.248 -12.955 -4.116 1.00 0.00 C ATOM 1417 C PRO A 93 -11.833 -12.021 -3.061 1.00 0.00 C ATOM 1418 O PRO A 93 -12.526 -11.057 -3.387 1.00 0.00 O ATOM 1419 CB PRO A 93 -11.823 -14.365 -3.959 1.00 0.00 C ATOM 1420 CG PRO A 93 -10.823 -15.090 -3.125 1.00 0.00 C ATOM 1421 CD PRO A 93 -9.483 -14.519 -3.494 1.00 0.00 C ATOM 0 HA PRO A 93 -11.484 -12.488 -5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.800 -14.343 -3.476 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.957 -14.848 -4.927 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.027 -14.952 -2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.857 -16.162 -3.319 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.802 -14.510 -2.643 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.002 -15.099 -4.281 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.549 -12.314 -1.796 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.046 -11.499 -0.693 1.00 0.00 C ATOM 1431 C HIS A 94 -10.899 -11.034 0.199 1.00 0.00 C ATOM 1432 O HIS A 94 -9.825 -11.634 0.210 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.063 -12.287 0.133 1.00 0.00 C ATOM 1434 CG HIS A 94 -14.051 -13.046 -0.699 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -15.250 -12.510 -1.120 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -14.011 -14.307 -1.189 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -15.905 -13.409 -1.832 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -15.175 -14.509 -1.889 1.00 0.00 N ATOM 0 H HIS A 94 -10.978 -13.109 -1.509 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.534 -10.620 -1.114 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -12.531 -12.986 0.779 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.602 -11.598 0.784 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -13.212 -15.021 -1.054 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -16.873 -13.269 -2.290 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -15.434 -15.368 -2.374 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.135 -9.960 0.946 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.122 -9.414 1.842 1.00 0.00 C ATOM 1449 C LYS A 95 -9.687 -10.454 2.869 1.00 0.00 C ATOM 1450 O LYS A 95 -10.504 -11.228 3.368 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.660 -8.171 2.555 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.232 -7.128 1.611 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.100 -6.123 2.350 1.00 0.00 C ATOM 1454 CE LYS A 95 -12.476 -4.950 1.458 1.00 0.00 C ATOM 1455 NZ LYS A 95 -13.348 -3.972 2.166 1.00 0.00 N ATOM 0 H LYS A 95 -12.019 -9.451 0.949 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.255 -9.136 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.434 -8.474 3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.856 -7.720 3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.418 -6.606 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.822 -7.620 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.005 -6.615 2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.568 -5.758 3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.570 -4.448 1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.990 -5.319 0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.915 -3.446 1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.981 -4.479 2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.757 -3.307 2.706 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.396 -10.466 3.182 1.00 0.00 N ATOM 1470 CA ALA A 96 -7.853 -11.408 4.153 1.00 0.00 C ATOM 1471 C ALA A 96 -7.696 -10.756 5.522 1.00 0.00 C ATOM 1472 O ALA A 96 -8.149 -11.296 6.532 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.517 -11.953 3.669 1.00 0.00 C ATOM 0 H ALA A 96 -7.706 -9.833 2.777 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.556 -12.235 4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.123 -12.655 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.656 -12.464 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.814 -11.130 3.540 1.00 0.00 H new ATOM 1479 N ASP A 97 -7.052 -9.595 5.549 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.836 -8.869 6.796 1.00 0.00 C ATOM 1481 C ASP A 97 -7.337 -7.433 6.682 1.00 0.00 C ATOM 1482 O ASP A 97 -7.741 -6.989 5.608 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.352 -8.878 7.165 1.00 0.00 C ATOM 1484 CG ASP A 97 -5.125 -8.740 8.657 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -6.046 -9.077 9.431 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -4.027 -8.295 9.052 1.00 0.00 O ATOM 0 H ASP A 97 -6.670 -9.136 4.722 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.401 -9.370 7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.900 -9.806 6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.847 -8.063 6.647 1.00 0.00 H new ATOM 1491 N SER A 98 -7.307 -6.712 7.798 1.00 0.00 N ATOM 1492 CA SER A 98 -7.763 -5.327 7.825 1.00 0.00 C ATOM 1493 C SER A 98 -7.188 -4.589 9.030 1.00 0.00 C ATOM 1494 O SER A 98 -7.425 -4.971 10.177 1.00 0.00 O ATOM 1495 CB SER A 98 -9.291 -5.271 7.860 1.00 0.00 C ATOM 1496 OG SER A 98 -9.802 -5.974 8.980 1.00 0.00 O ATOM 0 H SER A 98 -6.972 -7.064 8.695 1.00 0.00 H new ATOM 0 HA SER A 98 -7.410 -4.837 6.918 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.619 -4.232 7.898 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.695 -5.699 6.943 1.00 0.00 H new ATOM 0 HG SER A 98 -9.221 -5.823 9.754 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.431 -3.530 8.762 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.823 -2.738 9.824 1.00 0.00 C ATOM 1504 C ILE A 99 -6.481 -1.367 9.933 1.00 0.00 C ATOM 1505 O ILE A 99 -7.150 -0.914 9.004 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.312 -2.552 9.593 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.655 -1.943 10.833 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -4.066 -1.677 8.372 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.183 -2.267 10.958 1.00 0.00 C ATOM 0 H ILE A 99 -6.224 -3.201 7.819 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.976 -3.287 10.753 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.865 -3.529 9.411 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.779 -0.860 10.805 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.174 -2.301 11.722 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.993 -1.555 8.222 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.504 -2.148 7.492 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.524 -0.700 8.526 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.784 -1.803 11.860 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.052 -3.347 11.018 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.651 -1.885 10.087 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.285 -0.711 11.072 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.860 0.609 11.301 1.00 0.00 C ATOM 1523 C GLN A 100 -5.779 1.613 11.688 1.00 0.00 C ATOM 1524 O GLN A 100 -5.128 1.473 12.723 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.925 0.542 12.397 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.293 0.115 11.890 1.00 0.00 C ATOM 1527 CD GLN A 100 -10.240 -0.261 13.012 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -9.847 -0.321 14.178 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -11.496 -0.518 12.666 1.00 0.00 N ATOM 0 H GLN A 100 -5.733 -1.072 11.850 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.325 0.941 10.373 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.598 -0.156 13.168 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.011 1.521 12.869 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.730 0.926 11.308 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.178 -0.735 11.217 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.778 -0.456 11.688 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.178 -0.777 13.378 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.592 2.627 10.848 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.588 3.640 11.120 1.00 0.00 C ATOM 1540 C GLY A 101 -5.181 5.031 11.223 1.00 0.00 C ATOM 1541 O GLY A 101 -5.706 5.566 10.245 1.00 0.00 O ATOM 0 H GLY A 101 -6.117 2.765 9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.074 3.398 12.050 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.838 3.626 10.329 1.00 0.00 H new ATOM 1545 N THR A 102 -5.100 5.620 12.412 1.00 0.00 N ATOM 1546 CA THR A 102 -5.635 6.957 12.641 1.00 0.00 C ATOM 1547 C THR A 102 -4.535 8.009 12.569 1.00 0.00 C ATOM 1548 O THR A 102 -3.438 7.810 13.089 1.00 0.00 O ATOM 1549 CB THR A 102 -6.336 7.054 14.009 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.553 6.391 15.008 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.724 6.436 13.952 1.00 0.00 C ATOM 0 H THR A 102 -4.669 5.192 13.232 1.00 0.00 H new ATOM 0 HA THR A 102 -6.365 7.145 11.853 1.00 0.00 H new ATOM 0 HB THR A 102 -6.437 8.108 14.267 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.004 6.458 15.875 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.199 6.517 14.930 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.326 6.962 13.212 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.643 5.385 13.674 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.837 9.130 11.922 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.874 10.216 11.786 1.00 0.00 C ATOM 1561 C ALA A 103 -4.572 11.572 11.780 1.00 0.00 C ATOM 1562 O ALA A 103 -5.730 11.682 11.379 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.054 10.037 10.516 1.00 0.00 C ATOM 0 H ALA A 103 -5.740 9.310 11.484 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.205 10.185 12.646 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.339 10.855 10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.518 9.089 10.560 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.717 10.039 9.651 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.860 12.600 12.229 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.412 13.949 12.277 1.00 0.00 C ATOM 1571 C ARG A 104 -3.646 14.884 11.347 1.00 0.00 C ATOM 1572 O ARG A 104 -2.458 15.141 11.547 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.371 14.489 13.708 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.232 15.724 13.918 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.059 16.292 15.318 1.00 0.00 C ATOM 1576 NE ARG A 104 -3.925 17.209 15.400 1.00 0.00 N ATOM 1577 CZ ARG A 104 -3.790 18.128 16.349 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -4.714 18.251 17.293 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -2.730 18.925 16.357 1.00 0.00 N ATOM 0 H ARG A 104 -2.900 12.525 12.565 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.448 13.902 11.943 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.700 13.707 14.392 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.340 14.727 13.968 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.968 16.483 13.181 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.279 15.471 13.754 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -5.969 16.814 15.613 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -4.917 15.475 16.026 1.00 0.00 H new ATOM 0 HE ARG A 104 -3.197 17.140 14.689 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -5.530 17.639 17.291 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -4.608 18.958 18.021 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -2.017 18.833 15.633 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.628 19.630 17.087 1.00 0.00 H new ATOM 1593 N THR A 105 -4.333 15.391 10.328 1.00 0.00 N ATOM 1594 CA THR A 105 -3.717 16.296 9.366 1.00 0.00 C ATOM 1595 C THR A 105 -3.219 17.566 10.046 1.00 0.00 C ATOM 1596 O THR A 105 -3.470 17.787 11.232 1.00 0.00 O ATOM 1597 CB THR A 105 -4.703 16.681 8.246 1.00 0.00 C ATOM 1598 OG1 THR A 105 -5.959 17.072 8.811 1.00 0.00 O ATOM 1599 CG2 THR A 105 -4.913 15.518 7.287 1.00 0.00 C ATOM 0 H THR A 105 -5.317 15.190 10.148 1.00 0.00 H new ATOM 0 HA THR A 105 -2.871 15.765 8.930 1.00 0.00 H new ATOM 0 HB THR A 105 -4.279 17.518 7.691 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.460 17.604 8.158 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.613 15.813 6.505 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.960 15.242 6.836 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.317 14.665 7.832 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.512 18.398 9.290 1.00 0.00 N ATOM 1608 CA LEU A 106 -1.978 19.648 9.820 1.00 0.00 C ATOM 1609 C LEU A 106 -2.894 20.820 9.479 1.00 0.00 C ATOM 1610 O LEU A 106 -3.691 20.745 8.544 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.576 19.904 9.265 1.00 0.00 C ATOM 1612 CG LEU A 106 0.506 18.911 9.691 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.846 19.286 9.078 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.609 18.853 11.208 1.00 0.00 C ATOM 0 H LEU A 106 -2.295 18.230 8.308 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.921 19.558 10.905 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.632 19.904 8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.264 20.903 9.568 1.00 0.00 H new ATOM 0 HG LEU A 106 0.228 17.922 9.328 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.604 18.568 9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.765 19.275 7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.132 20.284 9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.384 18.141 11.493 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.863 19.840 11.593 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.346 18.536 11.626 1.00 0.00 H new ATOM 1626 N SER A 107 -2.773 21.901 10.243 1.00 0.00 N ATOM 1627 CA SER A 107 -3.590 23.088 10.022 1.00 0.00 C ATOM 1628 C SER A 107 -3.055 23.907 8.851 1.00 0.00 C ATOM 1629 O SER A 107 -3.780 24.200 7.902 1.00 0.00 O ATOM 1630 CB SER A 107 -3.628 23.949 11.286 1.00 0.00 C ATOM 1631 OG SER A 107 -2.322 24.185 11.782 1.00 0.00 O ATOM 0 H SER A 107 -2.117 21.979 11.020 1.00 0.00 H new ATOM 0 HA SER A 107 -4.602 22.762 9.782 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.115 24.900 11.068 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.226 23.453 12.050 1.00 0.00 H new ATOM 0 HG SER A 107 -2.374 24.739 12.589 1.00 0.00 H new ATOM 1637 N GLY A 108 -1.779 24.273 8.927 1.00 0.00 N ATOM 1638 CA GLY A 108 -1.167 25.054 7.868 1.00 0.00 C ATOM 1639 C GLY A 108 -0.245 26.132 8.402 1.00 0.00 C ATOM 1640 O GLY A 108 0.951 26.157 8.110 1.00 0.00 O ATOM 0 H GLY A 108 -1.158 24.043 9.703 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.604 24.391 7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.948 25.515 7.263 1.00 0.00 H new ATOM 1644 N PRO A 109 -0.804 27.051 9.204 1.00 0.00 N ATOM 1645 CA PRO A 109 -0.041 28.154 9.795 1.00 0.00 C ATOM 1646 C PRO A 109 0.937 27.676 10.863 1.00 0.00 C ATOM 1647 O PRO A 109 1.890 28.376 11.203 1.00 0.00 O ATOM 1648 CB PRO A 109 -1.123 29.039 10.420 1.00 0.00 C ATOM 1649 CG PRO A 109 -2.260 28.114 10.689 1.00 0.00 C ATOM 1650 CD PRO A 109 -2.223 27.083 9.595 1.00 0.00 C ATOM 0 HA PRO A 109 0.574 28.666 9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.769 29.509 11.338 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.417 29.842 9.744 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.160 27.647 11.669 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.209 28.651 10.687 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.564 26.110 9.948 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -2.864 27.361 8.759 1.00 0.00 H new ATOM 1658 N SER A 110 0.695 26.479 11.387 1.00 0.00 N ATOM 1659 CA SER A 110 1.553 25.908 12.419 1.00 0.00 C ATOM 1660 C SER A 110 3.026 26.094 12.064 1.00 0.00 C ATOM 1661 O SER A 110 3.466 25.721 10.977 1.00 0.00 O ATOM 1662 CB SER A 110 1.245 24.421 12.603 1.00 0.00 C ATOM 1663 OG SER A 110 1.881 23.641 11.605 1.00 0.00 O ATOM 0 H SER A 110 -0.088 25.885 11.114 1.00 0.00 H new ATOM 0 HA SER A 110 1.353 26.431 13.354 1.00 0.00 H new ATOM 0 HB2 SER A 110 1.578 24.097 13.589 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.167 24.262 12.562 1.00 0.00 H new ATOM 0 HG SER A 110 2.270 24.232 10.926 1.00 0.00 H new ATOM 1669 N SER A 111 3.782 26.674 12.991 1.00 0.00 N ATOM 1670 CA SER A 111 5.204 26.914 12.776 1.00 0.00 C ATOM 1671 C SER A 111 6.015 25.651 13.049 1.00 0.00 C ATOM 1672 O SER A 111 6.403 25.382 14.185 1.00 0.00 O ATOM 1673 CB SER A 111 5.692 28.051 13.675 1.00 0.00 C ATOM 1674 OG SER A 111 5.496 29.311 13.056 1.00 0.00 O ATOM 0 H SER A 111 3.434 26.986 13.897 1.00 0.00 H new ATOM 0 HA SER A 111 5.346 27.198 11.733 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.158 28.022 14.625 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.750 27.913 13.899 1.00 0.00 H new ATOM 0 HG SER A 111 5.814 30.021 13.652 1.00 0.00 H new ATOM 1680 N GLY A 112 6.268 24.878 11.996 1.00 0.00 N ATOM 1681 CA GLY A 112 7.031 23.653 12.142 1.00 0.00 C ATOM 1682 C GLY A 112 8.477 23.911 12.518 1.00 0.00 C ATOM 1683 O GLY A 112 8.817 24.994 12.994 1.00 0.00 O ATOM 0 H GLY A 112 5.958 25.079 11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 112 6.567 23.028 12.905 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.996 23.094 11.207 1.00 0.00 H new TER 1687 GLY A 112