USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 716 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: B 28 LYS NZ :NH3+ -153:sc=-0.00174 (180deg=0) USER MOD Set 1.2: B 32 LYS NZ :NH3+ -153:sc=-0.00112 (180deg=0) USER MOD Set 2.1: B 12 HIS :FLIP no HD1:sc= -6.58! C(o=-16!,f=-13!) USER MOD Set 2.2: B 13 HIS : no HD1:sc= -6.71! C(o=-13!,f=-14!) USER MOD Set 3.1: B 5 HIS :FLIP no HE2:sc= -1.91 F(o=-9!,f=-5.9) USER MOD Set 3.2: B 6 HIS : no HD1:sc= -4.02 K(o=-5.9,f=-11!) USER MOD Set 4.1: A 28 LYS NZ :NH3+ -153:sc=-0.00707 (180deg=0) USER MOD Set 4.2: A 32 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 5.1: A 12 HIS :FLIP no HD1:sc= -6.53! C(o=-16!,f=-13!) USER MOD Set 5.2: A 13 HIS : no HD1:sc= -6.58! C(o=-13!,f=-14!) USER MOD Set 6.1: A 5 HIS :FLIP no HE2:sc= -1.83 F(o=-7.7!,f=-5.1) USER MOD Set 6.2: A 6 HIS : no HD1:sc= -3.26 K(o=-5.1,f=-9.9!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -123:sc= -1.82 (180deg=-4.94!) USER MOD Single : A 4 LYS NZ :NH3+ 152:sc= -0.143 (180deg=-0.587) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.057) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -5.88 X(o=-5.9,f=-5.8!) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.57) USER MOD Single : A 37 SER OG : rot 87:sc= 0.0218 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -125:sc= -1.9 (180deg=-4.51!) USER MOD Single : B 4 LYS NZ :NH3+ 149:sc= -0.155 (180deg=-0.772) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.054) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -5.73 X(o=-5.7,f=-5.7!) USER MOD Single : B 29 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -0.0994 K(o=-0.099,f=-0.63) USER MOD Single : B 37 SER OG : rot 83:sc= 0.846 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -30.669 8.972 2.757 1.00 0.00 N ATOM 2 CA ALA A 1 -30.333 7.806 1.900 1.00 0.00 C ATOM 3 C ALA A 1 -29.387 6.850 2.620 1.00 0.00 C ATOM 4 O ALA A 1 -28.190 6.814 2.335 1.00 0.00 O ATOM 5 CB ALA A 1 -29.715 8.275 0.592 1.00 0.00 C ATOM 0 H1 ALA A 1 -31.314 9.606 2.243 1.00 0.00 H new ATOM 0 H2 ALA A 1 -31.130 8.641 3.628 1.00 0.00 H new ATOM 0 H3 ALA A 1 -29.798 9.486 3.000 1.00 0.00 H new ATOM 0 HA ALA A 1 -31.256 7.268 1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -29.473 7.411 -0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -30.423 8.913 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -28.805 8.838 0.801 1.00 0.00 H new ATOM 13 N LEU A 2 -29.934 6.073 3.550 1.00 0.00 N ATOM 14 CA LEU A 2 -29.139 5.112 4.306 1.00 0.00 C ATOM 15 C LEU A 2 -29.152 3.751 3.620 1.00 0.00 C ATOM 16 O LEU A 2 -30.214 3.204 3.327 1.00 0.00 O ATOM 17 CB LEU A 2 -29.674 4.986 5.733 1.00 0.00 C ATOM 18 CG LEU A 2 -29.171 6.051 6.708 1.00 0.00 C ATOM 19 CD1 LEU A 2 -30.338 6.804 7.326 1.00 0.00 C ATOM 20 CD2 LEU A 2 -28.310 5.418 7.791 1.00 0.00 C ATOM 0 H LEU A 2 -30.923 6.090 3.798 1.00 0.00 H new ATOM 0 HA LEU A 2 -28.111 5.472 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -30.763 5.029 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -29.404 4.004 6.121 1.00 0.00 H new ATOM 0 HG LEU A 2 -28.559 6.763 6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -29.960 7.558 8.017 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -30.915 7.290 6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -30.977 6.105 7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -27.961 6.191 8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -28.899 4.684 8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -27.453 4.925 7.333 1.00 0.00 H new ATOM 32 N LYS A 3 -27.965 3.214 3.357 1.00 0.00 N ATOM 33 CA LYS A 3 -27.847 1.921 2.694 1.00 0.00 C ATOM 34 C LYS A 3 -27.559 0.804 3.696 1.00 0.00 C ATOM 35 O LYS A 3 -28.127 -0.280 3.597 1.00 0.00 O ATOM 36 CB LYS A 3 -26.752 1.973 1.629 1.00 0.00 C ATOM 37 CG LYS A 3 -27.153 2.760 0.390 1.00 0.00 C ATOM 38 CD LYS A 3 -27.618 4.163 0.746 1.00 0.00 C ATOM 39 CE LYS A 3 -27.825 5.016 -0.495 1.00 0.00 C ATOM 40 NZ LYS A 3 -26.745 6.028 -0.660 1.00 0.00 N ATOM 0 H LYS A 3 -27.074 3.652 3.592 1.00 0.00 H new ATOM 0 HA LYS A 3 -28.801 1.701 2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -25.856 2.420 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -26.491 0.956 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -26.307 2.819 -0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -27.951 2.233 -0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -28.550 4.106 1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -26.882 4.637 1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -27.858 4.374 -1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -28.789 5.521 -0.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -27.164 6.979 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -26.091 5.973 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -26.225 5.840 -1.541 1.00 0.00 H new ATOM 54 N LYS A 4 -26.679 1.079 4.654 1.00 0.00 N ATOM 55 CA LYS A 4 -26.313 0.097 5.676 1.00 0.00 C ATOM 56 C LYS A 4 -25.445 -1.013 5.090 1.00 0.00 C ATOM 57 O LYS A 4 -24.222 -0.987 5.222 1.00 0.00 O ATOM 58 CB LYS A 4 -27.564 -0.501 6.326 1.00 0.00 C ATOM 59 CG LYS A 4 -27.764 -0.067 7.771 1.00 0.00 C ATOM 60 CD LYS A 4 -26.492 -0.237 8.588 1.00 0.00 C ATOM 61 CE LYS A 4 -26.790 -0.766 9.982 1.00 0.00 C ATOM 62 NZ LYS A 4 -27.415 -2.117 9.943 1.00 0.00 N ATOM 0 H LYS A 4 -26.203 1.977 4.746 1.00 0.00 H new ATOM 0 HA LYS A 4 -25.734 0.616 6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -28.439 -0.213 5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -27.499 -1.588 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -28.078 0.977 7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -28.566 -0.653 8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -25.818 -0.922 8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -25.977 0.720 8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -25.866 -0.810 10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -27.455 -0.074 10.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -27.180 -2.634 10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -28.448 -2.020 9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -27.055 -2.643 9.121 1.00 0.00 H new ATOM 76 N HIS A 5 -26.077 -1.991 4.442 1.00 0.00 N ATOM 77 CA HIS A 5 -25.352 -3.106 3.835 1.00 0.00 C ATOM 78 C HIS A 5 -24.133 -2.603 3.067 1.00 0.00 C ATOM 79 O HIS A 5 -23.101 -3.275 3.000 1.00 0.00 O ATOM 80 CB HIS A 5 -26.271 -3.894 2.899 1.00 0.00 C ATOM 81 CG HIS A 5 -26.610 -3.168 1.633 1.00 0.00 C ATOM 82 ND1 HIS A 5 -27.592 -2.279 1.356 1.00 0.00 N flip ATOM 83 CD2 HIS A 5 -25.896 -3.325 0.462 1.00 0.00 C flip ATOM 84 CE1 HIS A 5 -27.454 -1.918 0.038 1.00 0.00 C flip ATOM 85 NE2 HIS A 5 -26.424 -2.562 -0.479 1.00 0.00 N flip ATOM 0 H HIS A 5 -27.089 -2.034 4.324 1.00 0.00 H new ATOM 0 HA HIS A 5 -25.012 -3.765 4.634 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -25.793 -4.841 2.647 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -27.194 -4.134 3.428 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -28.302 -1.940 2.005 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -25.040 -3.971 0.335 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -28.086 -1.220 -0.490 1.00 0.00 H new ATOM 94 N HIS A 6 -24.258 -1.407 2.501 1.00 0.00 N ATOM 95 CA HIS A 6 -23.168 -0.802 1.750 1.00 0.00 C ATOM 96 C HIS A 6 -22.009 -0.478 2.679 1.00 0.00 C ATOM 97 O HIS A 6 -20.874 -0.851 2.411 1.00 0.00 O ATOM 98 CB HIS A 6 -23.642 0.463 1.033 1.00 0.00 C ATOM 99 CG HIS A 6 -23.987 0.241 -0.407 1.00 0.00 C ATOM 100 ND1 HIS A 6 -25.264 -0.046 -0.840 1.00 0.00 N ATOM 101 CD2 HIS A 6 -23.212 0.266 -1.517 1.00 0.00 C ATOM 102 CE1 HIS A 6 -25.260 -0.190 -2.153 1.00 0.00 C ATOM 103 NE2 HIS A 6 -24.028 -0.005 -2.587 1.00 0.00 N ATOM 0 H HIS A 6 -25.104 -0.839 2.549 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.829 -1.515 0.998 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -24.516 0.858 1.551 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -22.862 1.222 1.099 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -22.151 0.462 -1.554 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -26.119 -0.420 -2.766 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.730 -0.055 -3.561 1.00 0.00 H new ATOM 112 N GLU A 7 -22.307 0.204 3.781 1.00 0.00 N ATOM 113 CA GLU A 7 -21.286 0.552 4.758 1.00 0.00 C ATOM 114 C GLU A 7 -20.586 -0.707 5.265 1.00 0.00 C ATOM 115 O GLU A 7 -19.457 -0.647 5.753 1.00 0.00 O ATOM 116 CB GLU A 7 -21.911 1.310 5.930 1.00 0.00 C ATOM 117 CG GLU A 7 -21.258 2.655 6.205 1.00 0.00 C ATOM 118 CD GLU A 7 -21.826 3.339 7.433 1.00 0.00 C ATOM 119 OE1 GLU A 7 -22.364 2.632 8.311 1.00 0.00 O ATOM 120 OE2 GLU A 7 -21.734 4.582 7.515 1.00 0.00 O ATOM 0 H GLU A 7 -23.246 0.525 4.018 1.00 0.00 H new ATOM 0 HA GLU A 7 -20.549 1.194 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -22.971 1.465 5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -21.845 0.694 6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.185 2.514 6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -21.391 3.303 5.339 1.00 0.00 H new ATOM 127 N ASN A 8 -21.264 -1.850 5.143 1.00 0.00 N ATOM 128 CA ASN A 8 -20.708 -3.124 5.583 1.00 0.00 C ATOM 129 C ASN A 8 -19.563 -3.553 4.672 1.00 0.00 C ATOM 130 O ASN A 8 -18.418 -3.666 5.110 1.00 0.00 O ATOM 131 CB ASN A 8 -21.794 -4.202 5.601 1.00 0.00 C ATOM 132 CG ASN A 8 -21.772 -5.026 6.873 1.00 0.00 C ATOM 133 OD1 ASN A 8 -20.766 -5.654 7.202 1.00 0.00 O ATOM 134 ND2 ASN A 8 -22.885 -5.026 7.597 1.00 0.00 N ATOM 0 H ASN A 8 -22.200 -1.916 4.742 1.00 0.00 H new ATOM 0 HA ASN A 8 -20.321 -2.996 6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -22.771 -3.731 5.494 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -21.662 -4.861 4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -22.929 -5.561 8.464 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -23.696 -4.491 7.286 1.00 0.00 H new ATOM 141 N GLU A 9 -19.873 -3.774 3.396 1.00 0.00 N ATOM 142 CA GLU A 9 -18.853 -4.168 2.429 1.00 0.00 C ATOM 143 C GLU A 9 -17.878 -3.016 2.176 1.00 0.00 C ATOM 144 O GLU A 9 -16.819 -3.203 1.578 1.00 0.00 O ATOM 145 CB GLU A 9 -19.505 -4.600 1.114 1.00 0.00 C ATOM 146 CG GLU A 9 -20.231 -5.933 1.203 1.00 0.00 C ATOM 147 CD GLU A 9 -21.321 -5.933 2.257 1.00 0.00 C ATOM 148 OE1 GLU A 9 -22.407 -5.379 1.989 1.00 0.00 O ATOM 149 OE2 GLU A 9 -21.088 -6.488 3.352 1.00 0.00 O ATOM 0 H GLU A 9 -20.814 -3.688 3.011 1.00 0.00 H new ATOM 0 HA GLU A 9 -18.298 -5.011 2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -20.211 -3.832 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.738 -4.664 0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -20.668 -6.170 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -19.512 -6.720 1.429 1.00 0.00 H new ATOM 156 N ILE A 10 -18.248 -1.826 2.645 1.00 0.00 N ATOM 157 CA ILE A 10 -17.430 -0.635 2.487 1.00 0.00 C ATOM 158 C ILE A 10 -16.414 -0.547 3.622 1.00 0.00 C ATOM 159 O ILE A 10 -15.316 -0.019 3.449 1.00 0.00 O ATOM 160 CB ILE A 10 -18.335 0.624 2.455 1.00 0.00 C ATOM 161 CG1 ILE A 10 -19.095 0.687 1.129 1.00 0.00 C ATOM 162 CG2 ILE A 10 -17.548 1.908 2.671 1.00 0.00 C ATOM 163 CD1 ILE A 10 -20.309 1.588 1.170 1.00 0.00 C ATOM 0 H ILE A 10 -19.123 -1.665 3.144 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.886 -0.692 1.544 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.042 0.538 3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -18.419 1.037 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.409 -0.319 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -18.227 2.760 2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -17.054 1.873 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.799 2.012 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.798 1.584 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -21.005 1.227 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.000 2.604 1.417 1.00 0.00 H new ATOM 175 N SER A 11 -16.787 -1.086 4.777 1.00 0.00 N ATOM 176 CA SER A 11 -15.907 -1.089 5.935 1.00 0.00 C ATOM 177 C SER A 11 -14.862 -2.185 5.785 1.00 0.00 C ATOM 178 O SER A 11 -13.735 -2.059 6.266 1.00 0.00 O ATOM 179 CB SER A 11 -16.711 -1.299 7.219 1.00 0.00 C ATOM 180 OG SER A 11 -15.854 -1.510 8.329 1.00 0.00 O ATOM 0 H SER A 11 -17.694 -1.526 4.935 1.00 0.00 H new ATOM 0 HA SER A 11 -15.406 -0.123 5.997 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.342 -0.430 7.403 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.375 -2.155 7.100 1.00 0.00 H new ATOM 0 HG SER A 11 -16.392 -1.640 9.138 1.00 0.00 H new ATOM 186 N HIS A 12 -15.245 -3.259 5.098 1.00 0.00 N ATOM 187 CA HIS A 12 -14.345 -4.377 4.869 1.00 0.00 C ATOM 188 C HIS A 12 -13.298 -3.993 3.817 1.00 0.00 C ATOM 189 O HIS A 12 -12.099 -4.194 4.023 1.00 0.00 O ATOM 190 CB HIS A 12 -15.165 -5.627 4.474 1.00 0.00 C ATOM 191 CG HIS A 12 -14.651 -6.406 3.297 1.00 0.00 C ATOM 192 ND1 HIS A 12 -15.063 -6.427 2.010 1.00 0.00 N flip ATOM 193 CD2 HIS A 12 -13.596 -7.290 3.376 1.00 0.00 C flip ATOM 194 CE1 HIS A 12 -14.259 -7.314 1.340 1.00 0.00 C flip ATOM 195 NE2 HIS A 12 -13.381 -7.822 2.186 1.00 0.00 N flip ATOM 0 H HIS A 12 -16.173 -3.375 4.692 1.00 0.00 H new ATOM 0 HA HIS A 12 -13.802 -4.623 5.782 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -15.210 -6.294 5.335 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -16.187 -5.314 4.259 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -13.033 -7.513 4.271 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.332 -7.558 0.290 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -12.661 -8.508 1.959 1.00 0.00 H new ATOM 204 N HIS A 13 -13.748 -3.418 2.701 1.00 0.00 N ATOM 205 CA HIS A 13 -12.824 -2.998 1.657 1.00 0.00 C ATOM 206 C HIS A 13 -11.917 -1.897 2.187 1.00 0.00 C ATOM 207 O HIS A 13 -10.766 -1.771 1.774 1.00 0.00 O ATOM 208 CB HIS A 13 -13.570 -2.495 0.421 1.00 0.00 C ATOM 209 CG HIS A 13 -14.516 -3.487 -0.173 1.00 0.00 C ATOM 210 ND1 HIS A 13 -14.309 -4.849 -0.133 1.00 0.00 N ATOM 211 CD2 HIS A 13 -15.679 -3.303 -0.836 1.00 0.00 C ATOM 212 CE1 HIS A 13 -15.306 -5.461 -0.748 1.00 0.00 C ATOM 213 NE2 HIS A 13 -16.151 -4.545 -1.182 1.00 0.00 N ATOM 0 H HIS A 13 -14.732 -3.236 2.502 1.00 0.00 H new ATOM 0 HA HIS A 13 -12.228 -3.863 1.366 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -14.125 -1.596 0.687 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.841 -2.207 -0.337 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.150 -2.355 -1.053 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -15.411 -6.528 -0.874 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -17.015 -4.730 -1.692 1.00 0.00 H new ATOM 222 N ALA A 14 -12.449 -1.104 3.115 1.00 0.00 N ATOM 223 CA ALA A 14 -11.690 -0.017 3.716 1.00 0.00 C ATOM 224 C ALA A 14 -10.527 -0.569 4.524 1.00 0.00 C ATOM 225 O ALA A 14 -9.426 -0.019 4.506 1.00 0.00 O ATOM 226 CB ALA A 14 -12.592 0.839 4.592 1.00 0.00 C ATOM 0 H ALA A 14 -13.403 -1.196 3.465 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.290 0.610 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.009 1.647 5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.395 1.260 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.019 0.224 5.384 1.00 0.00 H new ATOM 232 N LYS A 15 -10.778 -1.671 5.222 1.00 0.00 N ATOM 233 CA LYS A 15 -9.749 -2.314 6.025 1.00 0.00 C ATOM 234 C LYS A 15 -8.720 -2.994 5.127 1.00 0.00 C ATOM 235 O LYS A 15 -7.579 -3.217 5.532 1.00 0.00 O ATOM 236 CB LYS A 15 -10.375 -3.340 6.973 1.00 0.00 C ATOM 237 CG LYS A 15 -10.900 -2.733 8.264 1.00 0.00 C ATOM 238 CD LYS A 15 -11.787 -3.712 9.018 1.00 0.00 C ATOM 239 CE LYS A 15 -12.071 -3.230 10.432 1.00 0.00 C ATOM 240 NZ LYS A 15 -12.353 -4.362 11.357 1.00 0.00 N ATOM 0 H LYS A 15 -11.685 -2.136 5.247 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.247 -1.548 6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.193 -3.845 6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.632 -4.100 7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.062 -2.438 8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.464 -1.828 8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.727 -3.842 8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.304 -4.688 9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.216 -2.663 10.801 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.923 -2.550 10.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.542 -3.992 12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.184 -4.888 11.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.531 -4.998 11.389 1.00 0.00 H new ATOM 254 N GLU A 16 -9.132 -3.322 3.903 1.00 0.00 N ATOM 255 CA GLU A 16 -8.245 -3.975 2.946 1.00 0.00 C ATOM 256 C GLU A 16 -7.235 -2.988 2.366 1.00 0.00 C ATOM 257 O GLU A 16 -6.060 -3.315 2.211 1.00 0.00 O ATOM 258 CB GLU A 16 -9.061 -4.610 1.817 1.00 0.00 C ATOM 259 CG GLU A 16 -9.175 -6.121 1.926 1.00 0.00 C ATOM 260 CD GLU A 16 -10.598 -6.582 2.174 1.00 0.00 C ATOM 261 OE1 GLU A 16 -11.533 -5.915 1.682 1.00 0.00 O ATOM 262 OE2 GLU A 16 -10.779 -7.610 2.860 1.00 0.00 O ATOM 0 H GLU A 16 -10.074 -3.146 3.553 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.696 -4.754 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.062 -4.178 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.602 -4.356 0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.804 -6.577 1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.537 -6.472 2.737 1.00 0.00 H new ATOM 269 N ILE A 17 -7.696 -1.780 2.050 1.00 0.00 N ATOM 270 CA ILE A 17 -6.821 -0.754 1.492 1.00 0.00 C ATOM 271 C ILE A 17 -5.914 -0.173 2.575 1.00 0.00 C ATOM 272 O ILE A 17 -4.763 0.178 2.311 1.00 0.00 O ATOM 273 CB ILE A 17 -7.638 0.381 0.831 1.00 0.00 C ATOM 274 CG1 ILE A 17 -6.713 1.508 0.348 1.00 0.00 C ATOM 275 CG2 ILE A 17 -8.689 0.913 1.795 1.00 0.00 C ATOM 276 CD1 ILE A 17 -7.447 2.760 -0.083 1.00 0.00 C ATOM 0 H ILE A 17 -8.666 -1.489 2.170 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.206 -1.228 0.727 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.151 -0.027 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.018 1.763 1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.116 1.142 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.254 1.711 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.367 0.107 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.200 1.303 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.727 3.510 -0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.122 2.521 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.022 3.152 0.756 1.00 0.00 H new ATOM 288 N GLU A 18 -6.437 -0.082 3.792 1.00 0.00 N ATOM 289 CA GLU A 18 -5.671 0.447 4.912 1.00 0.00 C ATOM 290 C GLU A 18 -4.664 -0.587 5.404 1.00 0.00 C ATOM 291 O GLU A 18 -3.600 -0.240 5.919 1.00 0.00 O ATOM 292 CB GLU A 18 -6.605 0.852 6.053 1.00 0.00 C ATOM 293 CG GLU A 18 -5.940 1.723 7.105 1.00 0.00 C ATOM 294 CD GLU A 18 -5.017 0.936 8.015 1.00 0.00 C ATOM 295 OE1 GLU A 18 -5.305 -0.253 8.268 1.00 0.00 O ATOM 296 OE2 GLU A 18 -4.006 1.509 8.474 1.00 0.00 O ATOM 0 H GLU A 18 -7.387 -0.368 4.027 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.130 1.330 4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.460 1.386 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.992 -0.048 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.372 2.512 6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.708 2.211 7.706 1.00 0.00 H new ATOM 303 N ARG A 19 -5.009 -1.860 5.237 1.00 0.00 N ATOM 304 CA ARG A 19 -4.136 -2.948 5.659 1.00 0.00 C ATOM 305 C ARG A 19 -2.945 -3.077 4.719 1.00 0.00 C ATOM 306 O ARG A 19 -1.806 -3.235 5.161 1.00 0.00 O ATOM 307 CB ARG A 19 -4.913 -4.266 5.704 1.00 0.00 C ATOM 308 CG ARG A 19 -4.042 -5.476 6.002 1.00 0.00 C ATOM 309 CD ARG A 19 -4.849 -6.606 6.617 1.00 0.00 C ATOM 310 NE ARG A 19 -5.404 -7.498 5.602 1.00 0.00 N ATOM 311 CZ ARG A 19 -4.687 -8.407 4.951 1.00 0.00 C ATOM 312 NH1 ARG A 19 -3.393 -8.544 5.208 1.00 0.00 N ATOM 313 NH2 ARG A 19 -5.263 -9.182 4.042 1.00 0.00 N ATOM 0 H ARG A 19 -5.886 -2.162 4.813 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.766 -2.721 6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.692 -4.193 6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.414 -4.416 4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.572 -5.823 5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.239 -5.189 6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.214 -7.178 7.294 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.659 -6.189 7.215 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.397 -7.418 5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.946 -7.951 5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.845 -9.243 4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.258 -9.080 3.842 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.711 -9.880 3.543 1.00 0.00 H new ATOM 327 N LEU A 20 -3.210 -3.000 3.418 1.00 0.00 N ATOM 328 CA LEU A 20 -2.151 -3.100 2.428 1.00 0.00 C ATOM 329 C LEU A 20 -1.220 -1.900 2.536 1.00 0.00 C ATOM 330 O LEU A 20 -0.013 -2.016 2.326 1.00 0.00 O ATOM 331 CB LEU A 20 -2.743 -3.185 1.021 1.00 0.00 C ATOM 332 CG LEU A 20 -3.714 -4.345 0.797 1.00 0.00 C ATOM 333 CD1 LEU A 20 -4.692 -4.015 -0.321 1.00 0.00 C ATOM 334 CD2 LEU A 20 -2.954 -5.624 0.482 1.00 0.00 C ATOM 0 H LEU A 20 -4.144 -2.869 3.030 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.579 -4.008 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.261 -2.251 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.926 -3.271 0.304 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.282 -4.500 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.375 -4.852 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.261 -3.124 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.141 -3.832 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.661 -6.438 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.360 -5.481 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.295 -5.870 1.315 1.00 0.00 H new ATOM 346 N GLN A 21 -1.791 -0.747 2.872 1.00 0.00 N ATOM 347 CA GLN A 21 -1.017 0.477 3.018 1.00 0.00 C ATOM 348 C GLN A 21 -0.002 0.339 4.146 1.00 0.00 C ATOM 349 O GLN A 21 1.157 0.728 4.003 1.00 0.00 O ATOM 350 CB GLN A 21 -1.943 1.664 3.291 1.00 0.00 C ATOM 351 CG GLN A 21 -1.233 3.007 3.269 1.00 0.00 C ATOM 352 CD GLN A 21 -1.801 3.951 2.227 1.00 0.00 C ATOM 353 OE1 GLN A 21 -1.061 4.562 1.457 1.00 0.00 O ATOM 354 NE2 GLN A 21 -3.123 4.073 2.198 1.00 0.00 N ATOM 0 H GLN A 21 -2.790 -0.637 3.048 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.481 0.654 2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.740 1.671 2.547 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.416 1.529 4.263 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.309 3.470 4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.173 2.850 3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.698 3.547 2.856 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.563 4.693 1.518 1.00 0.00 H new ATOM 363 N LYS A 22 -0.441 -0.224 5.267 1.00 0.00 N ATOM 364 CA LYS A 22 0.438 -0.417 6.414 1.00 0.00 C ATOM 365 C LYS A 22 1.639 -1.276 6.031 1.00 0.00 C ATOM 366 O LYS A 22 2.781 -0.949 6.357 1.00 0.00 O ATOM 367 CB LYS A 22 -0.327 -1.071 7.565 1.00 0.00 C ATOM 368 CG LYS A 22 -0.746 -0.094 8.652 1.00 0.00 C ATOM 369 CD LYS A 22 -2.027 -0.538 9.337 1.00 0.00 C ATOM 370 CE LYS A 22 -1.898 -1.941 9.906 1.00 0.00 C ATOM 371 NZ LYS A 22 -1.143 -1.953 11.189 1.00 0.00 N ATOM 0 H LYS A 22 -1.396 -0.553 5.405 1.00 0.00 H new ATOM 0 HA LYS A 22 0.797 0.560 6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.215 -1.561 7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.295 -1.849 8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.051 -0.006 9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.889 0.896 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.273 0.159 10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.851 -0.508 8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.891 -2.361 10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.394 -2.581 9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.077 -2.928 11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.186 -1.576 11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.637 -1.363 11.888 1.00 0.00 H new ATOM 385 N GLU A 23 1.372 -2.376 5.334 1.00 0.00 N ATOM 386 CA GLU A 23 2.428 -3.283 4.903 1.00 0.00 C ATOM 387 C GLU A 23 3.459 -2.555 4.045 1.00 0.00 C ATOM 388 O GLU A 23 4.667 -2.739 4.214 1.00 0.00 O ATOM 389 CB GLU A 23 1.834 -4.455 4.120 1.00 0.00 C ATOM 390 CG GLU A 23 2.540 -5.778 4.376 1.00 0.00 C ATOM 391 CD GLU A 23 1.612 -6.969 4.243 1.00 0.00 C ATOM 392 OE1 GLU A 23 0.901 -7.056 3.219 1.00 0.00 O ATOM 393 OE2 GLU A 23 1.597 -7.815 5.161 1.00 0.00 O ATOM 0 H GLU A 23 0.433 -2.660 5.056 1.00 0.00 H new ATOM 0 HA GLU A 23 2.928 -3.664 5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.781 -4.558 4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.878 -4.229 3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.367 -5.886 3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.971 -5.768 5.377 1.00 0.00 H new ATOM 400 N ILE A 24 2.978 -1.724 3.123 1.00 0.00 N ATOM 401 CA ILE A 24 3.870 -0.973 2.246 1.00 0.00 C ATOM 402 C ILE A 24 4.733 -0.014 3.067 1.00 0.00 C ATOM 403 O ILE A 24 5.873 0.277 2.709 1.00 0.00 O ATOM 404 CB ILE A 24 3.094 -0.210 1.126 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.701 1.216 1.541 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.853 -0.985 0.713 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.614 2.273 0.960 1.00 0.00 C ATOM 0 H ILE A 24 1.985 -1.555 2.965 1.00 0.00 H new ATOM 0 HA ILE A 24 4.519 -1.690 1.744 1.00 0.00 H new ATOM 0 HB ILE A 24 3.775 -0.127 0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.677 1.412 1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.715 1.289 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.325 -0.438 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.145 -1.965 0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.198 -1.109 1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.285 3.259 1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.635 2.099 1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.581 2.224 -0.128 1.00 0.00 H new ATOM 419 N GLU A 25 4.173 0.463 4.177 1.00 0.00 N ATOM 420 CA GLU A 25 4.882 1.377 5.060 1.00 0.00 C ATOM 421 C GLU A 25 6.130 0.707 5.615 1.00 0.00 C ATOM 422 O GLU A 25 7.212 1.292 5.621 1.00 0.00 O ATOM 423 CB GLU A 25 3.974 1.827 6.205 1.00 0.00 C ATOM 424 CG GLU A 25 4.516 3.015 6.982 1.00 0.00 C ATOM 425 CD GLU A 25 3.443 3.728 7.780 1.00 0.00 C ATOM 426 OE1 GLU A 25 2.261 3.343 7.662 1.00 0.00 O ATOM 427 OE2 GLU A 25 3.785 4.674 8.522 1.00 0.00 O ATOM 0 H GLU A 25 3.229 0.229 4.484 1.00 0.00 H new ATOM 0 HA GLU A 25 5.178 2.255 4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.995 2.084 5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.827 0.992 6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.301 2.675 7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.976 3.719 6.288 1.00 0.00 H new ATOM 434 N ARG A 26 5.973 -0.533 6.070 1.00 0.00 N ATOM 435 CA ARG A 26 7.093 -1.290 6.612 1.00 0.00 C ATOM 436 C ARG A 26 8.204 -1.394 5.575 1.00 0.00 C ATOM 437 O ARG A 26 9.370 -1.121 5.865 1.00 0.00 O ATOM 438 CB ARG A 26 6.637 -2.687 7.038 1.00 0.00 C ATOM 439 CG ARG A 26 7.636 -3.405 7.932 1.00 0.00 C ATOM 440 CD ARG A 26 7.378 -4.903 7.963 1.00 0.00 C ATOM 441 NE ARG A 26 6.915 -5.351 9.273 1.00 0.00 N ATOM 442 CZ ARG A 26 7.726 -5.580 10.302 1.00 0.00 C ATOM 443 NH1 ARG A 26 9.034 -5.404 10.170 1.00 0.00 N ATOM 444 NH2 ARG A 26 7.229 -5.985 11.463 1.00 0.00 N ATOM 0 H ARG A 26 5.083 -1.032 6.074 1.00 0.00 H new ATOM 0 HA ARG A 26 7.475 -0.767 7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.685 -2.606 7.563 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.460 -3.290 6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.648 -3.216 7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.576 -3.003 8.943 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.634 -5.158 7.209 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.293 -5.434 7.701 1.00 0.00 H new ATOM 0 HE ARG A 26 5.914 -5.496 9.407 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.419 -5.093 9.278 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.655 -5.580 10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.224 -6.121 11.568 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.852 -6.160 12.251 1.00 0.00 H new ATOM 458 N HIS A 27 7.831 -1.780 4.357 1.00 0.00 N ATOM 459 CA HIS A 27 8.793 -1.905 3.271 1.00 0.00 C ATOM 460 C HIS A 27 9.395 -0.545 2.927 1.00 0.00 C ATOM 461 O HIS A 27 10.487 -0.462 2.365 1.00 0.00 O ATOM 462 CB HIS A 27 8.125 -2.509 2.035 1.00 0.00 C ATOM 463 CG HIS A 27 8.681 -3.844 1.647 1.00 0.00 C ATOM 464 ND1 HIS A 27 9.956 -4.013 1.148 1.00 0.00 N ATOM 465 CD2 HIS A 27 8.127 -5.079 1.686 1.00 0.00 C ATOM 466 CE1 HIS A 27 10.162 -5.294 0.897 1.00 0.00 C ATOM 467 NE2 HIS A 27 9.069 -5.961 1.215 1.00 0.00 N ATOM 0 H HIS A 27 6.871 -2.011 4.100 1.00 0.00 H new ATOM 0 HA HIS A 27 9.594 -2.568 3.599 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.056 -2.610 2.223 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.238 -1.820 1.198 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.131 -5.325 2.024 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.070 -5.722 0.499 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.944 -6.969 1.126 1.00 0.00 H new ATOM 476 N LYS A 28 8.675 0.522 3.271 1.00 0.00 N ATOM 477 CA LYS A 28 9.135 1.878 3.001 1.00 0.00 C ATOM 478 C LYS A 28 10.197 2.302 4.009 1.00 0.00 C ATOM 479 O LYS A 28 11.081 3.097 3.696 1.00 0.00 O ATOM 480 CB LYS A 28 7.960 2.856 3.045 1.00 0.00 C ATOM 481 CG LYS A 28 8.286 4.226 2.474 1.00 0.00 C ATOM 482 CD LYS A 28 8.793 5.172 3.550 1.00 0.00 C ATOM 483 CE LYS A 28 7.747 5.398 4.630 1.00 0.00 C ATOM 484 NZ LYS A 28 7.317 6.823 4.697 1.00 0.00 N ATOM 0 H LYS A 28 7.770 0.470 3.738 1.00 0.00 H new ATOM 0 HA LYS A 28 9.576 1.893 2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.123 2.431 2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.633 2.971 4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.039 4.126 1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.396 4.648 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.698 4.763 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.064 6.127 3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.881 4.766 4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.151 5.095 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.993 7.043 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.118 7.439 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.539 6.983 4.025 1.00 0.00 H new ATOM 498 N GLN A 29 10.104 1.764 5.220 1.00 0.00 N ATOM 499 CA GLN A 29 11.058 2.087 6.273 1.00 0.00 C ATOM 500 C GLN A 29 12.391 1.395 6.015 1.00 0.00 C ATOM 501 O GLN A 29 13.454 1.955 6.281 1.00 0.00 O ATOM 502 CB GLN A 29 10.507 1.672 7.638 1.00 0.00 C ATOM 503 CG GLN A 29 11.493 1.870 8.777 1.00 0.00 C ATOM 504 CD GLN A 29 11.878 0.566 9.448 1.00 0.00 C ATOM 505 OE1 GLN A 29 12.531 -0.286 8.845 1.00 0.00 O ATOM 506 NE2 GLN A 29 11.475 0.404 10.702 1.00 0.00 N ATOM 0 H GLN A 29 9.378 1.103 5.496 1.00 0.00 H new ATOM 0 HA GLN A 29 11.218 3.165 6.272 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.604 2.246 7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.215 0.622 7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.390 2.357 8.395 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.057 2.541 9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.936 1.137 11.163 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.705 -0.453 11.205 1.00 0.00 H new ATOM 515 N SER A 30 12.324 0.176 5.494 1.00 0.00 N ATOM 516 CA SER A 30 13.526 -0.592 5.197 1.00 0.00 C ATOM 517 C SER A 30 14.231 -0.043 3.961 1.00 0.00 C ATOM 518 O SER A 30 15.455 0.079 3.936 1.00 0.00 O ATOM 519 CB SER A 30 13.178 -2.067 4.989 1.00 0.00 C ATOM 520 OG SER A 30 13.104 -2.753 6.226 1.00 0.00 O ATOM 0 H SER A 30 11.451 -0.301 5.269 1.00 0.00 H new ATOM 0 HA SER A 30 14.202 -0.504 6.047 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.225 -2.149 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.930 -2.535 4.354 1.00 0.00 H new ATOM 0 HG SER A 30 12.879 -3.693 6.066 1.00 0.00 H new ATOM 526 N ILE A 31 13.451 0.288 2.935 1.00 0.00 N ATOM 527 CA ILE A 31 14.007 0.825 1.701 1.00 0.00 C ATOM 528 C ILE A 31 14.400 2.291 1.864 1.00 0.00 C ATOM 529 O ILE A 31 15.232 2.806 1.117 1.00 0.00 O ATOM 530 CB ILE A 31 13.011 0.680 0.535 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.729 0.933 -0.810 1.00 0.00 C ATOM 532 CG2 ILE A 31 11.804 1.594 0.741 1.00 0.00 C ATOM 533 CD1 ILE A 31 13.420 2.262 -1.479 1.00 0.00 C ATOM 0 H ILE A 31 12.435 0.193 2.936 1.00 0.00 H new ATOM 0 HA ILE A 31 14.902 0.247 1.472 1.00 0.00 H new ATOM 0 HB ILE A 31 12.628 -0.340 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.805 0.871 -0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.466 0.130 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.112 1.477 -0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.300 1.328 1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.137 2.631 0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 31 13.975 2.336 -2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 31 12.352 2.326 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.711 3.078 -0.818 1.00 0.00 H new ATOM 545 N LYS A 32 13.806 2.955 2.851 1.00 0.00 N ATOM 546 CA LYS A 32 14.104 4.356 3.115 1.00 0.00 C ATOM 547 C LYS A 32 15.353 4.479 3.980 1.00 0.00 C ATOM 548 O LYS A 32 16.080 5.469 3.904 1.00 0.00 O ATOM 549 CB LYS A 32 12.921 5.034 3.806 1.00 0.00 C ATOM 550 CG LYS A 32 13.180 6.487 4.173 1.00 0.00 C ATOM 551 CD LYS A 32 12.454 6.878 5.449 1.00 0.00 C ATOM 552 CE LYS A 32 10.948 6.738 5.298 1.00 0.00 C ATOM 553 NZ LYS A 32 10.226 7.944 5.786 1.00 0.00 N ATOM 0 H LYS A 32 13.116 2.544 3.480 1.00 0.00 H new ATOM 0 HA LYS A 32 14.285 4.853 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.051 4.983 3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.672 4.479 4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.251 6.646 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.856 7.133 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.798 6.251 6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.701 7.908 5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.703 6.568 4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.608 5.863 5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.271 7.674 6.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.746 8.361 6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.155 8.641 5.017 1.00 0.00 H new ATOM 567 N LYS A 33 15.599 3.459 4.799 1.00 0.00 N ATOM 568 CA LYS A 33 16.763 3.447 5.675 1.00 0.00 C ATOM 569 C LYS A 33 18.024 3.121 4.883 1.00 0.00 C ATOM 570 O LYS A 33 19.085 3.700 5.119 1.00 0.00 O ATOM 571 CB LYS A 33 16.573 2.428 6.799 1.00 0.00 C ATOM 572 CG LYS A 33 15.825 2.982 8.001 1.00 0.00 C ATOM 573 CD LYS A 33 16.780 3.397 9.109 1.00 0.00 C ATOM 574 CE LYS A 33 17.646 2.233 9.562 1.00 0.00 C ATOM 575 NZ LYS A 33 17.895 2.264 11.030 1.00 0.00 N ATOM 0 H LYS A 33 15.007 2.632 4.873 1.00 0.00 H new ATOM 0 HA LYS A 33 16.872 4.439 6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.031 1.566 6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.550 2.070 7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.227 3.840 7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.133 2.229 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.416 4.210 8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.212 3.780 9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.160 1.294 9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.598 2.261 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.489 1.454 11.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.381 3.148 11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.988 2.212 11.537 1.00 0.00 H new ATOM 589 N LEU A 34 17.900 2.194 3.938 1.00 0.00 N ATOM 590 CA LEU A 34 19.028 1.794 3.108 1.00 0.00 C ATOM 591 C LEU A 34 19.332 2.864 2.064 1.00 0.00 C ATOM 592 O LEU A 34 20.492 3.122 1.743 1.00 0.00 O ATOM 593 CB LEU A 34 18.737 0.460 2.419 1.00 0.00 C ATOM 594 CG LEU A 34 19.229 -0.778 3.173 1.00 0.00 C ATOM 595 CD1 LEU A 34 18.409 -1.999 2.783 1.00 0.00 C ATOM 596 CD2 LEU A 34 20.706 -1.015 2.900 1.00 0.00 C ATOM 0 H LEU A 34 17.029 1.706 3.729 1.00 0.00 H new ATOM 0 HA LEU A 34 19.900 1.676 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.661 0.372 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.196 0.471 1.430 1.00 0.00 H new ATOM 0 HG LEU A 34 19.101 -0.606 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.772 -2.870 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.361 -1.827 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.506 -2.175 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 34 21.039 -1.899 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.859 -1.167 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 34 21.280 -0.149 3.229 1.00 0.00 H new ATOM 608 N LYS A 35 18.280 3.485 1.541 1.00 0.00 N ATOM 609 CA LYS A 35 18.432 4.530 0.536 1.00 0.00 C ATOM 610 C LYS A 35 18.868 5.841 1.181 1.00 0.00 C ATOM 611 O LYS A 35 19.495 6.683 0.539 1.00 0.00 O ATOM 612 CB LYS A 35 17.119 4.734 -0.223 1.00 0.00 C ATOM 613 CG LYS A 35 17.224 5.732 -1.364 1.00 0.00 C ATOM 614 CD LYS A 35 15.950 6.547 -1.509 1.00 0.00 C ATOM 615 CE LYS A 35 16.029 7.849 -0.729 1.00 0.00 C ATOM 616 NZ LYS A 35 14.728 8.572 -0.719 1.00 0.00 N ATOM 0 H LYS A 35 17.313 3.283 1.796 1.00 0.00 H new ATOM 0 HA LYS A 35 19.203 4.215 -0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.786 3.775 -0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.354 5.073 0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 35 18.067 6.400 -1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.426 5.202 -2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.773 6.763 -2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.101 5.962 -1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.336 7.640 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.796 8.488 -1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.825 9.454 -0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.447 8.795 -1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.001 7.973 -0.278 1.00 0.00 H new ATOM 630 N GLN A 36 18.533 6.006 2.457 1.00 0.00 N ATOM 631 CA GLN A 36 18.892 7.212 3.192 1.00 0.00 C ATOM 632 C GLN A 36 20.348 7.161 3.641 1.00 0.00 C ATOM 633 O GLN A 36 21.013 8.192 3.749 1.00 0.00 O ATOM 634 CB GLN A 36 17.976 7.388 4.405 1.00 0.00 C ATOM 635 CG GLN A 36 18.344 8.578 5.276 1.00 0.00 C ATOM 636 CD GLN A 36 17.243 9.620 5.332 1.00 0.00 C ATOM 637 OE1 GLN A 36 16.059 9.288 5.377 1.00 0.00 O ATOM 638 NE2 GLN A 36 17.630 10.891 5.328 1.00 0.00 N ATOM 0 H GLN A 36 18.013 5.319 3.003 1.00 0.00 H new ATOM 0 HA GLN A 36 18.766 8.065 2.525 1.00 0.00 H new ATOM 0 HB2 GLN A 36 16.948 7.504 4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.009 6.482 5.010 1.00 0.00 H new ATOM 0 HG2 GLN A 36 18.563 8.231 6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.255 9.037 4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.623 11.122 5.290 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.934 11.636 5.363 1.00 0.00 H new ATOM 647 N SER A 37 20.839 5.952 3.903 1.00 0.00 N ATOM 648 CA SER A 37 22.218 5.766 4.339 1.00 0.00 C ATOM 649 C SER A 37 23.186 5.966 3.178 1.00 0.00 C ATOM 650 O SER A 37 24.349 6.317 3.380 1.00 0.00 O ATOM 651 CB SER A 37 22.402 4.370 4.937 1.00 0.00 C ATOM 652 OG SER A 37 21.976 4.332 6.289 1.00 0.00 O ATOM 0 H SER A 37 20.302 5.089 3.821 1.00 0.00 H new ATOM 0 HA SER A 37 22.436 6.512 5.103 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.836 3.644 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 37 23.451 4.080 4.875 1.00 0.00 H new ATOM 0 HG SER A 37 21.016 4.139 6.324 1.00 0.00 H new ATOM 658 N GLU A 38 22.698 5.743 1.962 1.00 0.00 N ATOM 659 CA GLU A 38 23.520 5.899 0.768 1.00 0.00 C ATOM 660 C GLU A 38 23.760 7.374 0.463 1.00 0.00 C ATOM 661 O GLU A 38 24.754 7.734 -0.170 1.00 0.00 O ATOM 662 CB GLU A 38 22.853 5.220 -0.429 1.00 0.00 C ATOM 663 CG GLU A 38 23.792 4.992 -1.602 1.00 0.00 C ATOM 664 CD GLU A 38 23.987 6.238 -2.443 1.00 0.00 C ATOM 665 OE1 GLU A 38 23.035 7.041 -2.546 1.00 0.00 O ATOM 666 OE2 GLU A 38 25.092 6.413 -2.999 1.00 0.00 O ATOM 0 H GLU A 38 21.737 5.454 1.778 1.00 0.00 H new ATOM 0 HA GLU A 38 24.483 5.424 0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.444 4.261 -0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 38 22.013 5.830 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.759 4.655 -1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.397 4.193 -2.229 1.00 0.00 H new ATOM 673 N ASP A 39 22.844 8.224 0.915 1.00 0.00 N ATOM 674 CA ASP A 39 22.956 9.660 0.690 1.00 0.00 C ATOM 675 C ASP A 39 22.960 10.420 2.012 1.00 0.00 C ATOM 676 O ASP A 39 22.572 11.586 2.071 1.00 0.00 O ATOM 677 CB ASP A 39 21.804 10.151 -0.189 1.00 0.00 C ATOM 678 CG ASP A 39 22.141 11.436 -0.920 1.00 0.00 C ATOM 679 OD1 ASP A 39 22.163 12.501 -0.269 1.00 0.00 O ATOM 680 OD2 ASP A 39 22.384 11.376 -2.144 1.00 0.00 O ATOM 0 H ASP A 39 22.016 7.943 1.439 1.00 0.00 H new ATOM 0 HA ASP A 39 23.900 9.849 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.550 9.379 -0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 39 20.921 10.309 0.430 1.00 0.00 H new ATOM 685 N ASP A 40 23.404 9.751 3.071 1.00 0.00 N ATOM 686 CA ASP A 40 23.460 10.364 4.394 1.00 0.00 C ATOM 687 C ASP A 40 24.660 11.296 4.511 1.00 0.00 C ATOM 688 O ASP A 40 25.548 11.291 3.659 1.00 0.00 O ATOM 689 CB ASP A 40 23.529 9.285 5.477 1.00 0.00 C ATOM 690 CG ASP A 40 22.686 9.628 6.689 1.00 0.00 C ATOM 691 OD1 ASP A 40 21.445 9.522 6.599 1.00 0.00 O ATOM 692 OD2 ASP A 40 23.267 10.003 7.729 1.00 0.00 O ATOM 0 H ASP A 40 23.730 8.785 3.039 1.00 0.00 H new ATOM 0 HA ASP A 40 22.552 10.951 4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 40 23.193 8.335 5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 40 24.566 9.149 5.785 1.00 0.00 H new ATOM 697 N ASP A 41 24.681 12.096 5.572 1.00 0.00 N ATOM 698 CA ASP A 41 25.774 13.035 5.801 1.00 0.00 C ATOM 699 C ASP A 41 26.650 12.578 6.963 1.00 0.00 C ATOM 700 O ASP A 41 27.829 12.245 6.719 1.00 0.00 O ATOM 701 CB ASP A 41 25.222 14.433 6.082 1.00 0.00 C ATOM 702 CG ASP A 41 26.063 15.525 5.448 1.00 0.00 C ATOM 703 OD1 ASP A 41 27.296 15.350 5.363 1.00 0.00 O ATOM 704 OD2 ASP A 41 25.486 16.554 5.036 1.00 0.00 O ATOM 705 OXT ASP A 41 26.149 12.557 8.107 1.00 0.00 O ATOM 0 H ASP A 41 23.954 12.113 6.287 1.00 0.00 H new ATOM 0 HA ASP A 41 26.386 13.068 4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.201 14.500 5.706 1.00 0.00 H new ATOM 0 HB3 ASP A 41 25.176 14.593 7.159 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 30.782 8.925 -2.577 1.00 0.00 N ATOM 712 CA ALA B 1 30.310 7.745 -1.808 1.00 0.00 C ATOM 713 C ALA B 1 29.324 6.919 -2.627 1.00 0.00 C ATOM 714 O ALA B 1 28.113 7.129 -2.554 1.00 0.00 O ATOM 715 CB ALA B 1 29.668 8.192 -0.503 1.00 0.00 C ATOM 0 H1 ALA B 1 31.452 9.471 -1.998 1.00 0.00 H new ATOM 0 H2 ALA B 1 31.255 8.606 -3.446 1.00 0.00 H new ATOM 0 H3 ALA B 1 29.970 9.525 -2.825 1.00 0.00 H new ATOM 0 HA ALA B 1 31.172 7.118 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA B 1 29.326 7.319 0.052 1.00 0.00 H new ATOM 0 HB2 ALA B 1 30.399 8.738 0.094 1.00 0.00 H new ATOM 0 HB3 ALA B 1 28.819 8.840 -0.719 1.00 0.00 H new ATOM 723 N LEU B 2 29.851 5.983 -3.409 1.00 0.00 N ATOM 724 CA LEU B 2 29.015 5.129 -4.245 1.00 0.00 C ATOM 725 C LEU B 2 28.870 3.734 -3.642 1.00 0.00 C ATOM 726 O LEU B 2 29.853 3.010 -3.481 1.00 0.00 O ATOM 727 CB LEU B 2 29.605 5.027 -5.653 1.00 0.00 C ATOM 728 CG LEU B 2 29.118 6.090 -6.639 1.00 0.00 C ATOM 729 CD1 LEU B 2 30.297 6.834 -7.248 1.00 0.00 C ATOM 730 CD2 LEU B 2 28.266 5.455 -7.728 1.00 0.00 C ATOM 0 H LEU B 2 30.851 5.797 -3.481 1.00 0.00 H new ATOM 0 HA LEU B 2 28.025 5.582 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU B 2 30.691 5.091 -5.581 1.00 0.00 H new ATOM 0 HB3 LEU B 2 29.370 4.043 -6.058 1.00 0.00 H new ATOM 0 HG LEU B 2 28.503 6.808 -6.096 1.00 0.00 H new ATOM 0 HD11 LEU B 2 29.931 7.586 -7.947 1.00 0.00 H new ATOM 0 HD12 LEU B 2 30.868 7.321 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU B 2 30.938 6.129 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU B 2 27.928 6.225 -8.421 1.00 0.00 H new ATOM 0 HD22 LEU B 2 28.857 4.716 -8.268 1.00 0.00 H new ATOM 0 HD23 LEU B 2 27.402 4.968 -7.276 1.00 0.00 H new ATOM 742 N LYS B 3 27.634 3.363 -3.320 1.00 0.00 N ATOM 743 CA LYS B 3 27.351 2.051 -2.745 1.00 0.00 C ATOM 744 C LYS B 3 26.507 1.222 -3.708 1.00 0.00 C ATOM 745 O LYS B 3 25.312 1.033 -3.498 1.00 0.00 O ATOM 746 CB LYS B 3 26.622 2.196 -1.410 1.00 0.00 C ATOM 747 CG LYS B 3 27.441 2.894 -0.337 1.00 0.00 C ATOM 748 CD LYS B 3 27.755 4.330 -0.720 1.00 0.00 C ATOM 749 CE LYS B 3 27.897 5.214 0.508 1.00 0.00 C ATOM 750 NZ LYS B 3 26.731 6.125 0.674 1.00 0.00 N ATOM 0 H LYS B 3 26.812 3.953 -3.448 1.00 0.00 H new ATOM 0 HA LYS B 3 28.299 1.541 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS B 3 25.699 2.753 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS B 3 26.339 1.206 -1.052 1.00 0.00 H new ATOM 0 HG2 LYS B 3 26.894 2.879 0.606 1.00 0.00 H new ATOM 0 HG3 LYS B 3 28.371 2.348 -0.175 1.00 0.00 H new ATOM 0 HD2 LYS B 3 28.677 4.360 -1.300 1.00 0.00 H new ATOM 0 HD3 LYS B 3 26.963 4.719 -1.360 1.00 0.00 H new ATOM 0 HE2 LYS B 3 27.999 4.589 1.395 1.00 0.00 H new ATOM 0 HE3 LYS B 3 28.810 5.804 0.427 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 27.064 7.108 0.733 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 26.093 6.024 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 26.220 5.879 1.546 1.00 0.00 H new ATOM 764 N LYS B 4 27.137 0.743 -4.770 1.00 0.00 N ATOM 765 CA LYS B 4 26.453 -0.055 -5.781 1.00 0.00 C ATOM 766 C LYS B 4 25.550 -1.121 -5.161 1.00 0.00 C ATOM 767 O LYS B 4 24.339 -1.124 -5.384 1.00 0.00 O ATOM 768 CB LYS B 4 27.479 -0.720 -6.699 1.00 0.00 C ATOM 769 CG LYS B 4 27.649 -0.013 -8.033 1.00 0.00 C ATOM 770 CD LYS B 4 26.396 -0.124 -8.884 1.00 0.00 C ATOM 771 CE LYS B 4 26.693 -0.768 -10.229 1.00 0.00 C ATOM 772 NZ LYS B 4 27.357 -2.091 -10.076 1.00 0.00 N ATOM 0 H LYS B 4 28.128 0.894 -4.956 1.00 0.00 H new ATOM 0 HA LYS B 4 25.819 0.620 -6.356 1.00 0.00 H new ATOM 0 HB2 LYS B 4 28.442 -0.754 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS B 4 27.178 -1.752 -6.880 1.00 0.00 H new ATOM 0 HG2 LYS B 4 27.882 1.038 -7.862 1.00 0.00 H new ATOM 0 HG3 LYS B 4 28.494 -0.444 -8.570 1.00 0.00 H new ATOM 0 HD2 LYS B 4 25.646 -0.712 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS B 4 25.971 0.868 -9.040 1.00 0.00 H new ATOM 0 HE2 LYS B 4 25.764 -0.890 -10.786 1.00 0.00 H new ATOM 0 HE3 LYS B 4 27.331 -0.107 -10.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 27.087 -2.709 -10.868 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 28.389 -1.963 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 27.060 -2.527 -9.180 1.00 0.00 H new ATOM 786 N HIS B 5 26.143 -2.031 -4.398 1.00 0.00 N ATOM 787 CA HIS B 5 25.389 -3.109 -3.767 1.00 0.00 C ATOM 788 C HIS B 5 24.159 -2.574 -3.040 1.00 0.00 C ATOM 789 O HIS B 5 23.112 -3.226 -3.009 1.00 0.00 O ATOM 790 CB HIS B 5 26.279 -3.887 -2.797 1.00 0.00 C ATOM 791 CG HIS B 5 26.605 -3.140 -1.541 1.00 0.00 C ATOM 792 ND1 HIS B 5 27.585 -2.246 -1.270 1.00 0.00 N flip ATOM 793 CD2 HIS B 5 25.887 -3.285 -0.372 1.00 0.00 C flip ATOM 794 CE1 HIS B 5 27.442 -1.872 0.043 1.00 0.00 C flip ATOM 795 NE2 HIS B 5 26.411 -2.512 0.563 1.00 0.00 N flip ATOM 0 H HIS B 5 27.144 -2.045 -4.201 1.00 0.00 H new ATOM 0 HA HIS B 5 25.050 -3.783 -4.554 1.00 0.00 H new ATOM 0 HB2 HIS B 5 25.783 -4.821 -2.534 1.00 0.00 H new ATOM 0 HB3 HIS B 5 27.208 -4.150 -3.303 1.00 0.00 H new ATOM 0 HD1 HIS B 5 28.297 -1.913 -1.920 1.00 0.00 H new ATOM 0 HD2 HIS B 5 25.030 -3.930 -0.241 1.00 0.00 H new ATOM 0 HE1 HIS B 5 28.072 -1.168 0.566 1.00 0.00 H new ATOM 804 N HIS B 6 24.285 -1.388 -2.458 1.00 0.00 N ATOM 805 CA HIS B 6 23.172 -0.779 -1.736 1.00 0.00 C ATOM 806 C HIS B 6 22.024 -0.461 -2.681 1.00 0.00 C ATOM 807 O HIS B 6 20.882 -0.816 -2.412 1.00 0.00 O ATOM 808 CB HIS B 6 23.623 0.488 -1.007 1.00 0.00 C ATOM 809 CG HIS B 6 23.946 0.266 0.437 1.00 0.00 C ATOM 810 ND1 HIS B 6 25.217 -0.025 0.888 1.00 0.00 N ATOM 811 CD2 HIS B 6 23.157 0.293 1.538 1.00 0.00 C ATOM 812 CE1 HIS B 6 25.197 -0.169 2.200 1.00 0.00 C ATOM 813 NE2 HIS B 6 23.959 0.020 2.618 1.00 0.00 N ATOM 0 H HIS B 6 25.139 -0.831 -2.470 1.00 0.00 H new ATOM 0 HA HIS B 6 22.822 -1.498 -0.995 1.00 0.00 H new ATOM 0 HB2 HIS B 6 24.502 0.893 -1.509 1.00 0.00 H new ATOM 0 HB3 HIS B 6 22.838 1.240 -1.083 1.00 0.00 H new ATOM 0 HD2 HIS B 6 22.096 0.492 1.562 1.00 0.00 H new ATOM 0 HE1 HIS B 6 26.047 -0.401 2.824 1.00 0.00 H new ATOM 0 HE2 HIS B 6 23.648 -0.029 3.588 1.00 0.00 H new ATOM 822 N GLU B 7 22.329 0.203 -3.792 1.00 0.00 N ATOM 823 CA GLU B 7 21.310 0.547 -4.774 1.00 0.00 C ATOM 824 C GLU B 7 20.608 -0.711 -5.278 1.00 0.00 C ATOM 825 O GLU B 7 19.483 -0.648 -5.771 1.00 0.00 O ATOM 826 CB GLU B 7 21.936 1.304 -5.948 1.00 0.00 C ATOM 827 CG GLU B 7 21.283 2.649 -6.219 1.00 0.00 C ATOM 828 CD GLU B 7 21.851 3.334 -7.448 1.00 0.00 C ATOM 829 OE1 GLU B 7 22.387 2.628 -8.327 1.00 0.00 O ATOM 830 OE2 GLU B 7 21.758 4.578 -7.530 1.00 0.00 O ATOM 0 H GLU B 7 23.271 0.512 -4.033 1.00 0.00 H new ATOM 0 HA GLU B 7 20.573 1.190 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU B 7 22.996 1.458 -5.747 1.00 0.00 H new ATOM 0 HB3 GLU B 7 21.868 0.688 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU B 7 20.210 2.509 -6.349 1.00 0.00 H new ATOM 0 HG3 GLU B 7 21.417 3.296 -5.352 1.00 0.00 H new ATOM 837 N ASN B 8 21.280 -1.856 -5.147 1.00 0.00 N ATOM 838 CA ASN B 8 20.718 -3.129 -5.585 1.00 0.00 C ATOM 839 C ASN B 8 19.573 -3.552 -4.671 1.00 0.00 C ATOM 840 O ASN B 8 18.427 -3.663 -5.109 1.00 0.00 O ATOM 841 CB ASN B 8 21.800 -4.210 -5.602 1.00 0.00 C ATOM 842 CG ASN B 8 21.779 -5.027 -6.880 1.00 0.00 C ATOM 843 OD1 ASN B 8 20.778 -5.665 -7.207 1.00 0.00 O ATOM 844 ND2 ASN B 8 22.888 -5.010 -7.611 1.00 0.00 N ATOM 0 H ASN B 8 22.213 -1.925 -4.741 1.00 0.00 H new ATOM 0 HA ASN B 8 20.329 -3.002 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN B 8 22.778 -3.743 -5.488 1.00 0.00 H new ATOM 0 HB3 ASN B 8 21.662 -4.873 -4.748 1.00 0.00 H new ATOM 0 HD21 ASN B 8 22.933 -5.540 -8.481 1.00 0.00 H new ATOM 0 HD22 ASN B 8 23.694 -4.467 -7.302 1.00 0.00 H new ATOM 851 N GLU B 9 19.881 -3.767 -3.394 1.00 0.00 N ATOM 852 CA GLU B 9 18.860 -4.156 -2.428 1.00 0.00 C ATOM 853 C GLU B 9 17.886 -3.002 -2.179 1.00 0.00 C ATOM 854 O GLU B 9 16.823 -3.186 -1.584 1.00 0.00 O ATOM 855 CB GLU B 9 19.509 -4.586 -1.111 1.00 0.00 C ATOM 856 CG GLU B 9 20.236 -5.918 -1.198 1.00 0.00 C ATOM 857 CD GLU B 9 21.320 -5.922 -2.258 1.00 0.00 C ATOM 858 OE1 GLU B 9 22.409 -5.370 -1.997 1.00 0.00 O ATOM 859 OE2 GLU B 9 21.079 -6.477 -3.351 1.00 0.00 O ATOM 0 H GLU B 9 20.821 -3.679 -3.008 1.00 0.00 H new ATOM 0 HA GLU B 9 18.304 -4.999 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU B 9 20.214 -3.817 -0.795 1.00 0.00 H new ATOM 0 HB3 GLU B 9 18.740 -4.651 -0.341 1.00 0.00 H new ATOM 0 HG2 GLU B 9 20.679 -6.150 -0.229 1.00 0.00 H new ATOM 0 HG3 GLU B 9 19.516 -6.707 -1.416 1.00 0.00 H new ATOM 866 N ILE B 10 18.259 -1.813 -2.648 1.00 0.00 N ATOM 867 CA ILE B 10 17.443 -0.622 -2.494 1.00 0.00 C ATOM 868 C ILE B 10 16.425 -0.534 -3.628 1.00 0.00 C ATOM 869 O ILE B 10 15.324 -0.013 -3.451 1.00 0.00 O ATOM 870 CB ILE B 10 18.350 0.637 -2.463 1.00 0.00 C ATOM 871 CG1 ILE B 10 19.096 0.708 -1.131 1.00 0.00 C ATOM 872 CG2 ILE B 10 17.567 1.922 -2.696 1.00 0.00 C ATOM 873 CD1 ILE B 10 20.304 1.619 -1.162 1.00 0.00 C ATOM 0 H ILE B 10 19.136 -1.654 -3.144 1.00 0.00 H new ATOM 0 HA ILE B 10 16.898 -0.677 -1.552 1.00 0.00 H new ATOM 0 HB ILE B 10 19.065 0.544 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE B 10 18.410 1.054 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE B 10 19.415 -0.295 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE B 10 18.247 2.773 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE B 10 17.082 1.881 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE B 10 16.811 2.033 -1.919 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.784 1.620 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE B 10 21.010 1.262 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE B 10 19.989 2.632 -1.413 1.00 0.00 H new ATOM 885 N SER B 11 16.797 -1.066 -4.787 1.00 0.00 N ATOM 886 CA SER B 11 15.913 -1.067 -5.942 1.00 0.00 C ATOM 887 C SER B 11 14.866 -2.161 -5.790 1.00 0.00 C ATOM 888 O SER B 11 13.737 -2.031 -6.266 1.00 0.00 O ATOM 889 CB SER B 11 16.713 -1.278 -7.229 1.00 0.00 C ATOM 890 OG SER B 11 15.854 -1.487 -8.335 1.00 0.00 O ATOM 0 H SER B 11 17.705 -1.502 -4.950 1.00 0.00 H new ATOM 0 HA SER B 11 15.413 -0.100 -6.002 1.00 0.00 H new ATOM 0 HB2 SER B 11 17.345 -0.409 -7.415 1.00 0.00 H new ATOM 0 HB3 SER B 11 17.376 -2.135 -7.112 1.00 0.00 H new ATOM 0 HG SER B 11 16.390 -1.618 -9.145 1.00 0.00 H new ATOM 896 N HIS B 12 15.248 -3.238 -5.110 1.00 0.00 N ATOM 897 CA HIS B 12 14.347 -4.355 -4.880 1.00 0.00 C ATOM 898 C HIS B 12 13.299 -3.971 -3.828 1.00 0.00 C ATOM 899 O HIS B 12 12.101 -4.172 -4.035 1.00 0.00 O ATOM 900 CB HIS B 12 15.164 -5.607 -4.488 1.00 0.00 C ATOM 901 CG HIS B 12 14.649 -6.387 -3.311 1.00 0.00 C ATOM 902 ND1 HIS B 12 15.062 -6.409 -2.026 1.00 0.00 N flip ATOM 903 CD2 HIS B 12 13.593 -7.270 -3.392 1.00 0.00 C flip ATOM 904 CE1 HIS B 12 14.257 -7.296 -1.356 1.00 0.00 C flip ATOM 905 NE2 HIS B 12 13.378 -7.803 -2.202 1.00 0.00 N flip ATOM 0 H HIS B 12 16.178 -3.358 -4.709 1.00 0.00 H new ATOM 0 HA HIS B 12 13.803 -4.599 -5.793 1.00 0.00 H new ATOM 0 HB2 HIS B 12 15.207 -6.273 -5.350 1.00 0.00 H new ATOM 0 HB3 HIS B 12 16.187 -5.297 -4.274 1.00 0.00 H new ATOM 0 HD2 HIS B 12 13.030 -7.491 -4.287 1.00 0.00 H new ATOM 0 HE1 HIS B 12 14.330 -7.540 -0.307 1.00 0.00 H new ATOM 0 HE2 HIS B 12 12.657 -8.488 -1.976 1.00 0.00 H new ATOM 914 N HIS B 13 13.748 -3.400 -2.710 1.00 0.00 N ATOM 915 CA HIS B 13 12.822 -2.982 -1.666 1.00 0.00 C ATOM 916 C HIS B 13 11.912 -1.884 -2.195 1.00 0.00 C ATOM 917 O HIS B 13 10.760 -1.764 -1.784 1.00 0.00 O ATOM 918 CB HIS B 13 13.566 -2.479 -0.430 1.00 0.00 C ATOM 919 CG HIS B 13 14.514 -3.472 0.163 1.00 0.00 C ATOM 920 ND1 HIS B 13 14.309 -4.833 0.121 1.00 0.00 N ATOM 921 CD2 HIS B 13 15.677 -3.287 0.826 1.00 0.00 C ATOM 922 CE1 HIS B 13 15.306 -5.445 0.734 1.00 0.00 C ATOM 923 NE2 HIS B 13 16.150 -4.528 1.170 1.00 0.00 N ATOM 0 H HIS B 13 14.732 -3.220 -2.509 1.00 0.00 H new ATOM 0 HA HIS B 13 12.227 -3.848 -1.376 1.00 0.00 H new ATOM 0 HB2 HIS B 13 14.120 -1.578 -0.695 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.836 -2.193 0.328 1.00 0.00 H new ATOM 0 HD2 HIS B 13 16.146 -2.339 1.044 1.00 0.00 H new ATOM 0 HE1 HIS B 13 15.413 -6.513 0.857 1.00 0.00 H new ATOM 0 HE2 HIS B 13 17.014 -4.712 1.680 1.00 0.00 H new ATOM 932 N ALA B 14 12.442 -1.086 -3.120 1.00 0.00 N ATOM 933 CA ALA B 14 11.680 0.001 -3.717 1.00 0.00 C ATOM 934 C ALA B 14 10.518 -0.553 -4.525 1.00 0.00 C ATOM 935 O ALA B 14 9.416 -0.006 -4.503 1.00 0.00 O ATOM 936 CB ALA B 14 12.579 0.861 -4.594 1.00 0.00 C ATOM 0 H ALA B 14 13.396 -1.174 -3.470 1.00 0.00 H new ATOM 0 HA ALA B 14 11.280 0.626 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.994 1.669 -5.033 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.382 1.282 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.005 0.249 -5.389 1.00 0.00 H new ATOM 942 N LYS B 15 10.770 -1.651 -5.228 1.00 0.00 N ATOM 943 CA LYS B 15 9.741 -2.294 -6.033 1.00 0.00 C ATOM 944 C LYS B 15 8.713 -2.975 -5.135 1.00 0.00 C ATOM 945 O LYS B 15 7.571 -3.197 -5.540 1.00 0.00 O ATOM 946 CB LYS B 15 10.369 -3.317 -6.981 1.00 0.00 C ATOM 947 CG LYS B 15 10.890 -2.710 -8.273 1.00 0.00 C ATOM 948 CD LYS B 15 11.776 -3.686 -9.030 1.00 0.00 C ATOM 949 CE LYS B 15 12.058 -3.202 -10.443 1.00 0.00 C ATOM 950 NZ LYS B 15 12.340 -4.332 -11.371 1.00 0.00 N ATOM 0 H LYS B 15 11.678 -2.114 -5.256 1.00 0.00 H new ATOM 0 HA LYS B 15 9.238 -1.530 -6.625 1.00 0.00 H new ATOM 0 HB2 LYS B 15 11.190 -3.819 -6.468 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.629 -4.080 -7.221 1.00 0.00 H new ATOM 0 HG2 LYS B 15 10.050 -2.416 -8.903 1.00 0.00 H new ATOM 0 HG3 LYS B 15 11.453 -1.804 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS B 15 12.716 -3.816 -8.494 1.00 0.00 H new ATOM 0 HD3 LYS B 15 11.293 -4.663 -9.068 1.00 0.00 H new ATOM 0 HE2 LYS B 15 11.202 -2.636 -10.810 1.00 0.00 H new ATOM 0 HE3 LYS B 15 12.909 -2.521 -10.431 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 12.527 -3.960 -12.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 13.172 -4.858 -11.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 11.518 -4.968 -11.403 1.00 0.00 H new ATOM 964 N GLU B 16 9.125 -3.306 -3.913 1.00 0.00 N ATOM 965 CA GLU B 16 8.240 -3.963 -2.956 1.00 0.00 C ATOM 966 C GLU B 16 7.227 -2.978 -2.376 1.00 0.00 C ATOM 967 O GLU B 16 6.052 -3.306 -2.223 1.00 0.00 O ATOM 968 CB GLU B 16 9.055 -4.598 -1.829 1.00 0.00 C ATOM 969 CG GLU B 16 9.169 -6.110 -1.938 1.00 0.00 C ATOM 970 CD GLU B 16 10.592 -6.570 -2.186 1.00 0.00 C ATOM 971 OE1 GLU B 16 11.527 -5.903 -1.695 1.00 0.00 O ATOM 972 OE2 GLU B 16 10.772 -7.598 -2.873 1.00 0.00 O ATOM 0 H GLU B 16 10.067 -3.130 -3.563 1.00 0.00 H new ATOM 0 HA GLU B 16 7.693 -4.743 -3.486 1.00 0.00 H new ATOM 0 HB2 GLU B 16 10.056 -4.166 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.597 -4.344 -0.873 1.00 0.00 H new ATOM 0 HG2 GLU B 16 8.798 -6.566 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU B 16 8.531 -6.461 -2.749 1.00 0.00 H new ATOM 979 N ILE B 17 7.687 -1.771 -2.054 1.00 0.00 N ATOM 980 CA ILE B 17 6.810 -0.746 -1.494 1.00 0.00 C ATOM 981 C ILE B 17 5.902 -0.165 -2.575 1.00 0.00 C ATOM 982 O ILE B 17 4.750 0.183 -2.311 1.00 0.00 O ATOM 983 CB ILE B 17 7.625 0.388 -0.830 1.00 0.00 C ATOM 984 CG1 ILE B 17 6.699 1.512 -0.346 1.00 0.00 C ATOM 985 CG2 ILE B 17 8.675 0.923 -1.793 1.00 0.00 C ATOM 986 CD1 ILE B 17 7.431 2.764 0.089 1.00 0.00 C ATOM 0 H ILE B 17 8.658 -1.480 -2.171 1.00 0.00 H new ATOM 0 HA ILE B 17 6.195 -1.222 -0.730 1.00 0.00 H new ATOM 0 HB ILE B 17 8.138 -0.021 0.040 1.00 0.00 H new ATOM 0 HG12 ILE B 17 6.005 1.768 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE B 17 6.102 1.144 0.488 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.239 1.720 -1.310 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.353 0.118 -2.076 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.185 1.314 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.709 3.512 0.417 1.00 0.00 H new ATOM 0 HD12 ILE B 17 8.105 2.524 0.912 1.00 0.00 H new ATOM 0 HD13 ILE B 17 8.007 3.158 -0.748 1.00 0.00 H new ATOM 998 N GLU B 18 6.424 -0.071 -3.792 1.00 0.00 N ATOM 999 CA GLU B 18 5.656 0.459 -4.911 1.00 0.00 C ATOM 1000 C GLU B 18 4.651 -0.574 -5.405 1.00 0.00 C ATOM 1001 O GLU B 18 3.586 -0.227 -5.918 1.00 0.00 O ATOM 1002 CB GLU B 18 6.591 0.866 -6.052 1.00 0.00 C ATOM 1003 CG GLU B 18 5.924 1.740 -7.102 1.00 0.00 C ATOM 1004 CD GLU B 18 5.001 0.955 -8.013 1.00 0.00 C ATOM 1005 OE1 GLU B 18 5.289 -0.234 -8.269 1.00 0.00 O ATOM 1006 OE2 GLU B 18 3.989 1.528 -8.470 1.00 0.00 O ATOM 0 H GLU B 18 7.375 -0.355 -4.029 1.00 0.00 H new ATOM 0 HA GLU B 18 5.113 1.340 -4.568 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.446 1.399 -5.637 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.978 -0.033 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.356 2.527 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU B 18 6.691 2.230 -7.702 1.00 0.00 H new ATOM 1013 N ARG B 19 4.995 -1.847 -5.240 1.00 0.00 N ATOM 1014 CA ARG B 19 4.124 -2.935 -5.664 1.00 0.00 C ATOM 1015 C ARG B 19 2.932 -3.067 -4.724 1.00 0.00 C ATOM 1016 O ARG B 19 1.793 -3.222 -5.167 1.00 0.00 O ATOM 1017 CB ARG B 19 4.900 -4.252 -5.712 1.00 0.00 C ATOM 1018 CG ARG B 19 4.030 -5.461 -6.013 1.00 0.00 C ATOM 1019 CD ARG B 19 4.839 -6.591 -6.630 1.00 0.00 C ATOM 1020 NE ARG B 19 5.394 -7.484 -5.618 1.00 0.00 N ATOM 1021 CZ ARG B 19 4.677 -8.395 -4.968 1.00 0.00 C ATOM 1022 NH1 ARG B 19 3.384 -8.532 -5.227 1.00 0.00 N ATOM 1023 NH2 ARG B 19 5.254 -9.172 -4.062 1.00 0.00 N ATOM 0 H ARG B 19 5.872 -2.150 -4.815 1.00 0.00 H new ATOM 0 HA ARG B 19 3.756 -2.706 -6.664 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.679 -4.177 -6.471 1.00 0.00 H new ATOM 0 HB3 ARG B 19 5.400 -4.404 -4.756 1.00 0.00 H new ATOM 0 HG2 ARG B 19 3.559 -5.809 -5.094 1.00 0.00 H new ATOM 0 HG3 ARG B 19 3.228 -5.173 -6.693 1.00 0.00 H new ATOM 0 HD2 ARG B 19 4.205 -7.162 -7.308 1.00 0.00 H new ATOM 0 HD3 ARG B 19 5.649 -6.172 -7.227 1.00 0.00 H new ATOM 0 HE ARG B 19 6.387 -7.405 -5.397 1.00 0.00 H new ATOM 0 HH11 ARG B 19 2.938 -7.938 -5.926 1.00 0.00 H new ATOM 0 HH12 ARG B 19 2.835 -9.232 -4.727 1.00 0.00 H new ATOM 0 HH21 ARG B 19 6.249 -9.071 -3.863 1.00 0.00 H new ATOM 0 HH22 ARG B 19 4.703 -9.871 -3.564 1.00 0.00 H new ATOM 1037 N LEU B 20 3.198 -2.992 -3.423 1.00 0.00 N ATOM 1038 CA LEU B 20 2.138 -3.094 -2.433 1.00 0.00 C ATOM 1039 C LEU B 20 1.206 -1.895 -2.539 1.00 0.00 C ATOM 1040 O LEU B 20 -0.001 -2.012 -2.330 1.00 0.00 O ATOM 1041 CB LEU B 20 2.730 -3.182 -1.026 1.00 0.00 C ATOM 1042 CG LEU B 20 3.703 -4.342 -0.804 1.00 0.00 C ATOM 1043 CD1 LEU B 20 4.680 -4.012 0.313 1.00 0.00 C ATOM 1044 CD2 LEU B 20 2.943 -5.622 -0.490 1.00 0.00 C ATOM 0 H LEU B 20 4.132 -2.862 -3.035 1.00 0.00 H new ATOM 0 HA LEU B 20 1.566 -4.002 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.246 -2.248 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.913 -3.271 -0.310 1.00 0.00 H new ATOM 0 HG LEU B 20 4.271 -4.496 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.364 -4.848 0.457 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.248 -3.120 0.048 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.129 -3.831 1.236 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.651 -6.437 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.349 -5.480 0.413 1.00 0.00 H new ATOM 0 HD23 LEU B 20 2.284 -5.867 -1.323 1.00 0.00 H new ATOM 1056 N GLN B 21 1.778 -0.742 -2.872 1.00 0.00 N ATOM 1057 CA GLN B 21 1.003 0.483 -3.015 1.00 0.00 C ATOM 1058 C GLN B 21 -0.014 0.345 -4.144 1.00 0.00 C ATOM 1059 O GLN B 21 -1.171 0.733 -3.999 1.00 0.00 O ATOM 1060 CB GLN B 21 1.928 1.671 -3.287 1.00 0.00 C ATOM 1061 CG GLN B 21 1.217 3.014 -3.263 1.00 0.00 C ATOM 1062 CD GLN B 21 1.784 3.954 -2.217 1.00 0.00 C ATOM 1063 OE1 GLN B 21 1.042 4.564 -1.447 1.00 0.00 O ATOM 1064 NE2 GLN B 21 3.106 4.078 -2.188 1.00 0.00 N ATOM 0 H GLN B 21 2.777 -0.632 -3.048 1.00 0.00 H new ATOM 0 HA GLN B 21 0.468 0.659 -2.082 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.725 1.678 -2.543 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.401 1.537 -4.260 1.00 0.00 H new ATOM 0 HG2 GLN B 21 1.295 3.480 -4.245 1.00 0.00 H new ATOM 0 HG3 GLN B 21 0.156 2.856 -3.068 1.00 0.00 H new ATOM 0 HE21 GLN B 21 3.682 3.553 -2.846 1.00 0.00 H new ATOM 0 HE22 GLN B 21 3.545 4.699 -1.508 1.00 0.00 H new ATOM 1073 N LYS B 22 0.426 -0.214 -5.267 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.452 -0.405 -6.413 1.00 0.00 C ATOM 1075 C LYS B 22 -1.653 -1.265 -6.032 1.00 0.00 C ATOM 1076 O LYS B 22 -2.795 -0.938 -6.356 1.00 0.00 O ATOM 1077 CB LYS B 22 0.312 -1.057 -7.567 1.00 0.00 C ATOM 1078 CG LYS B 22 0.729 -0.077 -8.651 1.00 0.00 C ATOM 1079 CD LYS B 22 2.012 -0.519 -9.337 1.00 0.00 C ATOM 1080 CE LYS B 22 1.882 -1.921 -9.910 1.00 0.00 C ATOM 1081 NZ LYS B 22 1.127 -1.930 -11.193 1.00 0.00 N ATOM 0 H LYS B 22 1.382 -0.541 -5.406 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.811 0.573 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.201 -1.548 -7.172 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -0.311 -1.834 -8.011 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -0.068 0.011 -9.389 1.00 0.00 H new ATOM 0 HG3 LYS B 22 0.870 0.912 -8.215 1.00 0.00 H new ATOM 0 HD2 LYS B 22 2.258 0.180 -10.136 1.00 0.00 H new ATOM 0 HD3 LYS B 22 2.836 -0.491 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS B 22 2.875 -2.341 -10.071 1.00 0.00 H new ATOM 0 HE3 LYS B 22 1.378 -2.563 -9.188 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 1.061 -2.905 -11.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 0.170 -1.553 -11.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 1.621 -1.338 -11.891 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.385 -2.367 -5.338 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.442 -3.276 -4.908 1.00 0.00 C ATOM 1097 C GLU B 23 -3.473 -2.549 -4.049 1.00 0.00 C ATOM 1098 O GLU B 23 -4.680 -2.733 -4.219 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.847 -4.450 -4.128 1.00 0.00 C ATOM 1100 CG GLU B 23 -2.552 -5.771 -4.386 1.00 0.00 C ATOM 1101 CD GLU B 23 -1.623 -6.962 -4.256 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -0.912 -7.051 -3.234 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -1.607 -7.806 -5.177 1.00 0.00 O ATOM 0 H GLU B 23 -0.445 -2.652 -5.062 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.943 -3.656 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.794 -4.553 -4.389 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.891 -4.227 -3.062 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -3.378 -5.881 -3.684 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -2.984 -5.759 -5.387 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.993 -1.721 -3.126 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.884 -0.971 -2.248 1.00 0.00 C ATOM 1112 C ILE B 24 -4.748 -0.012 -3.067 1.00 0.00 C ATOM 1113 O ILE B 24 -5.889 0.278 -2.707 1.00 0.00 O ATOM 1114 CB ILE B 24 -3.108 -0.210 -1.126 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.716 1.217 -1.539 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.866 -0.985 -0.715 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.629 2.273 -0.957 1.00 0.00 C ATOM 0 H ILE B 24 -1.999 -1.553 -2.967 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.533 -1.689 -1.746 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.788 -0.130 -0.278 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.693 1.413 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.730 1.291 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -1.339 -0.439 0.067 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -2.157 -1.966 -0.340 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -1.211 -1.106 -1.578 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.300 3.259 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.650 2.099 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -3.596 2.223 0.131 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.189 0.468 -4.176 1.00 0.00 N ATOM 1130 CA GLU B 25 -4.899 1.383 -5.056 1.00 0.00 C ATOM 1131 C GLU B 25 -6.146 0.712 -5.613 1.00 0.00 C ATOM 1132 O GLU B 25 -7.229 1.297 -5.617 1.00 0.00 O ATOM 1133 CB GLU B 25 -3.991 1.835 -6.202 1.00 0.00 C ATOM 1134 CG GLU B 25 -4.535 3.025 -6.976 1.00 0.00 C ATOM 1135 CD GLU B 25 -3.463 3.742 -7.773 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -2.280 3.358 -7.656 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -3.805 4.688 -8.512 1.00 0.00 O ATOM 0 H GLU B 25 -3.245 0.236 -4.484 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.195 2.259 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.011 2.092 -5.799 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.845 1.001 -6.889 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.319 2.686 -7.652 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -4.995 3.726 -6.280 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.989 -0.526 -6.070 1.00 0.00 N ATOM 1145 CA ARG B 26 -7.108 -1.283 -6.613 1.00 0.00 C ATOM 1146 C ARG B 26 -8.219 -1.390 -5.576 1.00 0.00 C ATOM 1147 O ARG B 26 -9.386 -1.117 -5.866 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.653 -2.679 -7.043 1.00 0.00 C ATOM 1149 CG ARG B 26 -7.650 -3.396 -7.938 1.00 0.00 C ATOM 1150 CD ARG B 26 -7.391 -4.893 -7.972 1.00 0.00 C ATOM 1151 NE ARG B 26 -6.928 -5.338 -9.284 1.00 0.00 N ATOM 1152 CZ ARG B 26 -7.739 -5.565 -10.312 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -9.046 -5.390 -10.180 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -7.242 -5.968 -11.474 1.00 0.00 N ATOM 0 H ARG B 26 -5.099 -1.024 -6.075 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.490 -0.758 -7.489 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.701 -2.596 -7.567 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.475 -3.284 -6.154 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -8.662 -3.209 -7.580 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -7.590 -2.992 -8.949 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -6.646 -5.149 -7.218 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -8.306 -5.425 -7.710 1.00 0.00 H new ATOM 0 HE ARG B 26 -5.927 -5.482 -9.418 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -9.432 -5.080 -9.288 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -9.666 -5.565 -10.971 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -6.237 -6.104 -11.579 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -7.865 -6.142 -12.262 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.845 -1.777 -4.360 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.807 -1.905 -3.274 1.00 0.00 C ATOM 1170 C HIS B 27 -9.410 -0.546 -2.927 1.00 0.00 C ATOM 1171 O HIS B 27 -10.502 -0.466 -2.364 1.00 0.00 O ATOM 1172 CB HIS B 27 -8.138 -2.511 -2.038 1.00 0.00 C ATOM 1173 CG HIS B 27 -8.694 -3.848 -1.654 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -9.969 -4.019 -1.156 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -8.139 -5.083 -1.695 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -10.174 -5.301 -0.907 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -9.080 -5.966 -1.227 1.00 0.00 N ATOM 0 H HIS B 27 -6.885 -2.007 -4.104 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.607 -2.568 -3.603 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -7.069 -2.611 -2.225 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.252 -1.824 -1.199 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -7.143 -5.327 -2.033 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -11.082 -5.731 -0.510 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -8.954 -6.974 -1.140 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.690 0.521 -3.268 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.152 1.876 -2.995 1.00 0.00 C ATOM 1188 C LYS B 28 -10.214 2.301 -4.003 1.00 0.00 C ATOM 1189 O LYS B 28 -11.098 3.096 -3.688 1.00 0.00 O ATOM 1190 CB LYS B 28 -7.977 2.855 -3.038 1.00 0.00 C ATOM 1191 CG LYS B 28 -8.304 4.225 -2.464 1.00 0.00 C ATOM 1192 CD LYS B 28 -8.812 5.172 -3.540 1.00 0.00 C ATOM 1193 CE LYS B 28 -7.766 5.402 -4.619 1.00 0.00 C ATOM 1194 NZ LYS B 28 -7.337 6.826 -4.683 1.00 0.00 N ATOM 0 H LYS B 28 -7.784 0.471 -3.734 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.594 1.889 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.140 2.429 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.650 2.972 -4.071 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.057 4.123 -1.682 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.414 4.647 -1.997 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.716 4.762 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.085 6.125 -3.088 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -6.899 4.770 -4.425 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.170 5.101 -5.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.013 7.048 -5.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.138 7.441 -4.437 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.559 6.985 -4.011 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.120 1.767 -5.215 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.076 2.090 -6.266 1.00 0.00 C ATOM 1210 C GLN B 29 -12.408 1.398 -6.010 1.00 0.00 C ATOM 1211 O GLN B 29 -13.472 1.957 -6.274 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.525 1.678 -7.632 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.512 1.878 -8.771 1.00 0.00 C ATOM 1214 CD GLN B 29 -11.897 0.575 -9.445 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -12.548 -0.279 -8.844 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -11.493 0.416 -10.700 1.00 0.00 N ATOM 0 H GLN B 29 -9.392 1.109 -5.494 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.237 3.168 -6.262 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.622 2.253 -7.839 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.233 0.629 -7.595 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -12.410 2.364 -8.388 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -11.077 2.550 -9.510 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -10.955 1.151 -11.160 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -11.721 -0.441 -11.204 1.00 0.00 H new ATOM 1225 N SER B 30 -12.341 0.176 -5.491 1.00 0.00 N ATOM 1226 CA SER B 30 -13.542 -0.593 -5.196 1.00 0.00 C ATOM 1227 C SER B 30 -14.245 -0.047 -3.958 1.00 0.00 C ATOM 1228 O SER B 30 -15.471 0.074 -3.932 1.00 0.00 O ATOM 1229 CB SER B 30 -13.193 -2.067 -4.991 1.00 0.00 C ATOM 1230 OG SER B 30 -13.118 -2.751 -6.230 1.00 0.00 O ATOM 0 H SER B 30 -11.468 -0.301 -5.267 1.00 0.00 H new ATOM 0 HA SER B 30 -14.219 -0.504 -6.046 1.00 0.00 H new ATOM 0 HB2 SER B 30 -12.240 -2.149 -4.469 1.00 0.00 H new ATOM 0 HB3 SER B 30 -13.945 -2.537 -4.357 1.00 0.00 H new ATOM 0 HG SER B 30 -12.892 -3.691 -6.071 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.466 0.284 -2.933 1.00 0.00 N ATOM 1237 CA ILE B 31 -14.021 0.817 -1.697 1.00 0.00 C ATOM 1238 C ILE B 31 -14.416 2.283 -1.857 1.00 0.00 C ATOM 1239 O ILE B 31 -15.247 2.796 -1.108 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.025 0.670 -0.531 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.740 0.921 0.814 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -11.818 1.585 -0.737 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -13.433 2.248 1.485 1.00 0.00 C ATOM 0 H ILE B 31 -12.450 0.192 -2.935 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.915 0.237 -1.468 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.644 -0.351 -0.507 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -14.816 0.858 0.650 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -13.475 0.117 1.501 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.126 1.467 0.097 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.315 1.320 -1.667 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.152 2.621 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -13.987 2.319 2.421 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -12.365 2.313 1.690 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.726 3.065 0.826 1.00 0.00 H new ATOM 1255 N LYS B 32 -13.822 2.949 -2.843 1.00 0.00 N ATOM 1256 CA LYS B 32 -14.122 4.350 -3.104 1.00 0.00 C ATOM 1257 C LYS B 32 -15.371 4.474 -3.967 1.00 0.00 C ATOM 1258 O LYS B 32 -16.098 5.465 -3.890 1.00 0.00 O ATOM 1259 CB LYS B 32 -12.939 5.032 -3.794 1.00 0.00 C ATOM 1260 CG LYS B 32 -13.201 6.484 -4.158 1.00 0.00 C ATOM 1261 CD LYS B 32 -12.474 6.879 -5.433 1.00 0.00 C ATOM 1262 CE LYS B 32 -10.968 6.740 -5.282 1.00 0.00 C ATOM 1263 NZ LYS B 32 -10.248 7.948 -5.768 1.00 0.00 N ATOM 0 H LYS B 32 -13.131 2.540 -3.473 1.00 0.00 H new ATOM 0 HA LYS B 32 -14.303 4.845 -2.150 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -12.069 4.982 -3.139 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -12.689 4.479 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -14.272 6.641 -4.285 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -12.880 7.129 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -12.817 6.254 -6.257 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -12.721 7.909 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -10.723 6.568 -4.234 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -10.627 5.866 -5.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -9.293 7.681 -6.080 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -10.769 8.365 -6.566 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -10.178 8.644 -4.998 1.00 0.00 H new ATOM 1277 N LYS B 33 -15.617 3.457 -4.787 1.00 0.00 N ATOM 1278 CA LYS B 33 -16.782 3.446 -5.663 1.00 0.00 C ATOM 1279 C LYS B 33 -18.043 3.117 -4.872 1.00 0.00 C ATOM 1280 O LYS B 33 -19.104 3.696 -5.105 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.592 2.429 -6.791 1.00 0.00 C ATOM 1282 CG LYS B 33 -15.845 2.986 -7.991 1.00 0.00 C ATOM 1283 CD LYS B 33 -16.801 3.402 -9.098 1.00 0.00 C ATOM 1284 CE LYS B 33 -17.664 2.239 -9.554 1.00 0.00 C ATOM 1285 NZ LYS B 33 -17.913 2.274 -11.023 1.00 0.00 N ATOM 0 H LYS B 33 -15.025 2.630 -4.863 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.891 4.439 -6.099 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -16.050 1.566 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.569 2.072 -7.115 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -15.248 3.844 -7.683 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -15.152 2.235 -8.370 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -17.438 4.213 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -16.233 3.789 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -17.177 1.300 -9.291 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -18.616 2.264 -9.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -18.506 1.464 -11.294 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -18.401 3.158 -11.271 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -17.006 2.225 -11.530 1.00 0.00 H new ATOM 1299 N LEU B 34 -17.917 2.187 -3.930 1.00 0.00 N ATOM 1300 CA LEU B 34 -19.045 1.785 -3.099 1.00 0.00 C ATOM 1301 C LEU B 34 -19.347 2.851 -2.052 1.00 0.00 C ATOM 1302 O LEU B 34 -20.508 3.107 -1.729 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.751 0.448 -2.414 1.00 0.00 C ATOM 1304 CG LEU B 34 -19.242 -0.788 -3.170 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -18.423 -2.009 -2.784 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -20.720 -1.027 -2.898 1.00 0.00 C ATOM 0 H LEU B 34 -17.046 1.699 -3.724 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.918 1.669 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.674 0.361 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -19.208 0.456 -1.425 1.00 0.00 H new ATOM 0 HG LEU B 34 -19.113 -0.612 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -18.786 -2.879 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -17.375 -1.837 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -18.519 -2.188 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -21.052 -1.910 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -20.873 -1.182 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -21.295 -0.161 -3.225 1.00 0.00 H new ATOM 1318 N LYS B 35 -18.296 3.474 -1.529 1.00 0.00 N ATOM 1319 CA LYS B 35 -18.448 4.516 -0.521 1.00 0.00 C ATOM 1320 C LYS B 35 -18.887 5.827 -1.165 1.00 0.00 C ATOM 1321 O LYS B 35 -19.520 6.665 -0.521 1.00 0.00 O ATOM 1322 CB LYS B 35 -17.134 4.719 0.236 1.00 0.00 C ATOM 1323 CG LYS B 35 -17.239 5.714 1.380 1.00 0.00 C ATOM 1324 CD LYS B 35 -15.967 6.531 1.526 1.00 0.00 C ATOM 1325 CE LYS B 35 -16.049 7.834 0.747 1.00 0.00 C ATOM 1326 NZ LYS B 35 -14.748 8.559 0.738 1.00 0.00 N ATOM 0 H LYS B 35 -17.329 3.275 -1.787 1.00 0.00 H new ATOM 0 HA LYS B 35 -19.217 4.200 0.184 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -16.799 3.759 0.630 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -16.371 5.061 -0.463 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -18.083 6.381 1.207 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -17.439 5.181 2.310 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -15.791 6.746 2.580 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -15.116 5.948 1.173 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -16.355 7.625 -0.278 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -16.817 8.471 1.186 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -14.846 9.442 0.197 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -14.468 8.781 1.715 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -14.021 7.961 0.296 1.00 0.00 H new ATOM 1340 N GLN B 36 -18.547 5.998 -2.438 1.00 0.00 N ATOM 1341 CA GLN B 36 -18.907 7.206 -3.170 1.00 0.00 C ATOM 1342 C GLN B 36 -20.362 7.151 -3.623 1.00 0.00 C ATOM 1343 O GLN B 36 -21.027 8.180 -3.736 1.00 0.00 O ATOM 1344 CB GLN B 36 -17.989 7.387 -4.381 1.00 0.00 C ATOM 1345 CG GLN B 36 -18.360 8.576 -5.253 1.00 0.00 C ATOM 1346 CD GLN B 36 -17.263 9.622 -5.309 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -16.078 9.292 -5.357 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -17.654 10.890 -5.302 1.00 0.00 N ATOM 0 H GLN B 36 -18.022 5.315 -2.984 1.00 0.00 H new ATOM 0 HA GLN B 36 -18.785 8.058 -2.501 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -16.963 7.508 -4.034 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -18.016 6.481 -4.986 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -18.577 8.228 -6.263 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -19.273 9.032 -4.870 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -18.648 11.117 -5.261 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -16.961 11.638 -5.337 1.00 0.00 H new ATOM 1357 N SER B 37 -20.849 5.942 -3.881 1.00 0.00 N ATOM 1358 CA SER B 37 -22.226 5.750 -4.321 1.00 0.00 C ATOM 1359 C SER B 37 -23.199 5.948 -3.162 1.00 0.00 C ATOM 1360 O SER B 37 -24.362 6.292 -3.368 1.00 0.00 O ATOM 1361 CB SER B 37 -22.403 4.353 -4.919 1.00 0.00 C ATOM 1362 OG SER B 37 -21.699 4.226 -6.143 1.00 0.00 O ATOM 0 H SER B 37 -20.310 5.080 -3.793 1.00 0.00 H new ATOM 0 HA SER B 37 -22.444 6.494 -5.087 1.00 0.00 H new ATOM 0 HB2 SER B 37 -22.046 3.604 -4.212 1.00 0.00 H new ATOM 0 HB3 SER B 37 -23.462 4.157 -5.084 1.00 0.00 H new ATOM 0 HG SER B 37 -20.758 4.021 -5.960 1.00 0.00 H new ATOM 1368 N GLU B 38 -22.712 5.727 -1.945 1.00 0.00 N ATOM 1369 CA GLU B 38 -23.538 5.882 -0.754 1.00 0.00 C ATOM 1370 C GLU B 38 -23.780 7.357 -0.446 1.00 0.00 C ATOM 1371 O GLU B 38 -24.777 7.714 0.182 1.00 0.00 O ATOM 1372 CB GLU B 38 -22.873 5.202 0.445 1.00 0.00 C ATOM 1373 CG GLU B 38 -23.816 4.973 1.615 1.00 0.00 C ATOM 1374 CD GLU B 38 -24.011 6.217 2.460 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -23.058 7.018 2.564 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -25.115 6.389 3.016 1.00 0.00 O ATOM 0 H GLU B 38 -21.751 5.440 -1.758 1.00 0.00 H new ATOM 0 HA GLU B 38 -24.500 5.407 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.463 4.244 0.127 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -22.034 5.813 0.779 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -24.783 4.640 1.238 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -23.424 4.171 2.241 1.00 0.00 H new ATOM 1383 N ASP B 39 -22.863 8.207 -0.893 1.00 0.00 N ATOM 1384 CA ASP B 39 -22.976 9.643 -0.666 1.00 0.00 C ATOM 1385 C ASP B 39 -22.980 10.405 -1.987 1.00 0.00 C ATOM 1386 O ASP B 39 -22.587 11.570 -2.045 1.00 0.00 O ATOM 1387 CB ASP B 39 -21.826 10.134 0.215 1.00 0.00 C ATOM 1388 CG ASP B 39 -22.166 11.416 0.949 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -22.190 12.483 0.300 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -22.409 11.354 2.172 1.00 0.00 O ATOM 0 H ASP B 39 -22.033 7.927 -1.415 1.00 0.00 H new ATOM 0 HA ASP B 39 -23.921 9.831 -0.156 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -21.571 9.360 0.940 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -20.942 10.296 -0.403 1.00 0.00 H new ATOM 1395 N ASP B 40 -23.428 9.740 -3.047 1.00 0.00 N ATOM 1396 CA ASP B 40 -23.485 10.354 -4.369 1.00 0.00 C ATOM 1397 C ASP B 40 -24.686 11.286 -4.484 1.00 0.00 C ATOM 1398 O ASP B 40 -25.575 11.278 -3.633 1.00 0.00 O ATOM 1399 CB ASP B 40 -23.553 9.278 -5.453 1.00 0.00 C ATOM 1400 CG ASP B 40 -22.711 9.623 -6.665 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -21.470 9.517 -6.574 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -23.292 9.999 -7.704 1.00 0.00 O ATOM 0 H ASP B 40 -23.757 8.775 -3.016 1.00 0.00 H new ATOM 0 HA ASP B 40 -22.577 10.941 -4.508 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -23.216 8.328 -5.039 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -24.590 9.142 -5.761 1.00 0.00 H new ATOM 1407 N ASP B 41 -24.707 12.089 -5.543 1.00 0.00 N ATOM 1408 CA ASP B 41 -25.800 13.026 -5.769 1.00 0.00 C ATOM 1409 C ASP B 41 -26.675 12.571 -6.933 1.00 0.00 C ATOM 1410 O ASP B 41 -27.853 12.238 -6.690 1.00 0.00 O ATOM 1411 CB ASP B 41 -25.249 14.426 -6.048 1.00 0.00 C ATOM 1412 CG ASP B 41 -26.090 15.516 -5.411 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -27.323 15.340 -5.327 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -25.515 16.544 -4.998 1.00 0.00 O ATOM 1415 OXT ASP B 41 -26.174 12.553 -8.077 1.00 0.00 O ATOM 0 H ASP B 41 -23.979 12.109 -6.258 1.00 0.00 H new ATOM 0 HA ASP B 41 -26.412 13.056 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -24.228 14.493 -5.673 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -25.204 14.588 -7.125 1.00 0.00 H new TER 1420 ASP B 41