USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=12 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: A 30 SER OG : rot -51:sc= 0.285 USER MOD Set 1.2: B 12 HIS : no HD1:sc= -4.82! K(o=-11!,f=-9) USER MOD Set 1.3: B 13 HIS : no HE2:sc= -6.91! C(o=-11!,f=-12!) USER MOD Set 2.1: B 5 HIS : no HD1:sc= -2.98 K(o=-3.3,f=-1.4) USER MOD Set 2.2: B 6 HIS : no HD1:sc= -0.296 K(o=-3.3,f=-1.5) USER MOD Set 3.1: A 12 HIS : no HD1:sc= -4.83! K(o=-12!,f=-9.2) USER MOD Set 3.2: A 13 HIS : no HE2:sc= -6.99! C(o=-12!,f=-12!) USER MOD Set 4.1: A 5 HIS : no HD1:sc= -3.04 K(o=-3.3,f=-1.4) USER MOD Set 4.2: A 6 HIS : no HD1:sc= -0.273 K(o=-3.3,f=-1.6) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 11 SER OG : rot -50:sc= 0.282 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00415) USER MOD Single : A 27 HIS : no HD1:sc= -7.55! C(o=-7.6!,f=-5.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0314) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : B 11 SER OG : rot -49:sc= 0.268 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00313) USER MOD Single : B 27 HIS : no HD1:sc= -7.63! C(o=-7.6!,f=-5.9!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 SER OG : rot -24:sc= 0.581 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0334) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -29.020 -14.914 -0.488 1.00 0.00 N ATOM 2 CA ALA A 1 -27.890 -13.997 -0.792 1.00 0.00 C ATOM 3 C ALA A 1 -28.325 -12.539 -0.683 1.00 0.00 C ATOM 4 O ALA A 1 -28.473 -11.848 -1.690 1.00 0.00 O ATOM 5 CB ALA A 1 -27.342 -14.281 -2.183 1.00 0.00 C ATOM 0 H1 ALA A 1 -28.699 -15.900 -0.569 1.00 0.00 H new ATOM 0 H2 ALA A 1 -29.359 -14.739 0.480 1.00 0.00 H new ATOM 0 H3 ALA A 1 -29.794 -14.746 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 1 -27.103 -14.172 -0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -26.515 -13.603 -2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -26.988 -15.311 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -28.130 -14.133 -2.922 1.00 0.00 H new ATOM 13 N LEU A 2 -28.525 -12.079 0.547 1.00 0.00 N ATOM 14 CA LEU A 2 -28.942 -10.703 0.791 1.00 0.00 C ATOM 15 C LEU A 2 -27.870 -9.721 0.328 1.00 0.00 C ATOM 16 O LEU A 2 -26.819 -10.122 -0.170 1.00 0.00 O ATOM 17 CB LEU A 2 -29.237 -10.493 2.276 1.00 0.00 C ATOM 18 CG LEU A 2 -29.863 -11.693 2.988 1.00 0.00 C ATOM 19 CD1 LEU A 2 -28.834 -12.391 3.862 1.00 0.00 C ATOM 20 CD2 LEU A 2 -31.061 -11.255 3.818 1.00 0.00 C ATOM 0 H LEU A 2 -28.405 -12.639 1.391 1.00 0.00 H new ATOM 0 HA LEU A 2 -29.851 -10.517 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -28.307 -10.234 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -29.906 -9.639 2.381 1.00 0.00 H new ATOM 0 HG LEU A 2 -30.208 -12.400 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -29.298 -13.242 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -28.007 -12.739 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -28.458 -11.693 4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -31.494 -12.122 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -30.740 -10.528 4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -31.808 -10.801 3.167 1.00 0.00 H new ATOM 32 N LYS A 3 -28.143 -8.431 0.499 1.00 0.00 N ATOM 33 CA LYS A 3 -27.202 -7.391 0.100 1.00 0.00 C ATOM 34 C LYS A 3 -26.335 -6.959 1.278 1.00 0.00 C ATOM 35 O LYS A 3 -25.822 -5.840 1.306 1.00 0.00 O ATOM 36 CB LYS A 3 -27.953 -6.184 -0.466 1.00 0.00 C ATOM 37 CG LYS A 3 -27.650 -5.910 -1.929 1.00 0.00 C ATOM 38 CD LYS A 3 -27.755 -7.174 -2.766 1.00 0.00 C ATOM 39 CE LYS A 3 -28.062 -6.856 -4.221 1.00 0.00 C ATOM 40 NZ LYS A 3 -26.887 -7.099 -5.103 1.00 0.00 N ATOM 0 H LYS A 3 -29.008 -8.081 0.911 1.00 0.00 H new ATOM 0 HA LYS A 3 -26.553 -7.801 -0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -29.025 -6.346 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -27.699 -5.301 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -28.343 -5.161 -2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -26.647 -5.493 -2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -26.820 -7.731 -2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -28.537 -7.816 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -28.900 -7.466 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -28.371 -5.814 -4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -27.138 -6.870 -6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -26.095 -6.498 -4.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -26.607 -8.099 -5.041 1.00 0.00 H new ATOM 54 N LYS A 4 -26.174 -7.853 2.249 1.00 0.00 N ATOM 55 CA LYS A 4 -25.369 -7.562 3.429 1.00 0.00 C ATOM 56 C LYS A 4 -23.885 -7.762 3.136 1.00 0.00 C ATOM 57 O LYS A 4 -23.036 -7.048 3.668 1.00 0.00 O ATOM 58 CB LYS A 4 -25.794 -8.456 4.596 1.00 0.00 C ATOM 59 CG LYS A 4 -24.989 -8.226 5.864 1.00 0.00 C ATOM 60 CD LYS A 4 -23.870 -9.245 6.005 1.00 0.00 C ATOM 61 CE LYS A 4 -24.362 -10.525 6.661 1.00 0.00 C ATOM 62 NZ LYS A 4 -23.256 -11.498 6.877 1.00 0.00 N ATOM 0 H LYS A 4 -26.590 -8.784 2.241 1.00 0.00 H new ATOM 0 HA LYS A 4 -25.532 -6.519 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -26.849 -8.284 4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -25.696 -9.500 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -24.568 -7.221 5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -25.648 -8.285 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -23.459 -9.474 5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -23.061 -8.819 6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -24.828 -10.287 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -25.130 -10.981 6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -23.632 -12.357 7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -22.827 -11.745 5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -22.535 -11.072 7.494 1.00 0.00 H new ATOM 76 N HIS A 5 -23.580 -8.737 2.285 1.00 0.00 N ATOM 77 CA HIS A 5 -22.199 -9.029 1.921 1.00 0.00 C ATOM 78 C HIS A 5 -21.475 -7.764 1.471 1.00 0.00 C ATOM 79 O HIS A 5 -20.250 -7.676 1.554 1.00 0.00 O ATOM 80 CB HIS A 5 -22.155 -10.079 0.809 1.00 0.00 C ATOM 81 CG HIS A 5 -23.067 -9.775 -0.339 1.00 0.00 C ATOM 82 ND1 HIS A 5 -24.026 -10.657 -0.794 1.00 0.00 N ATOM 83 CD2 HIS A 5 -23.166 -8.677 -1.125 1.00 0.00 C ATOM 84 CE1 HIS A 5 -24.672 -10.116 -1.810 1.00 0.00 C ATOM 85 NE2 HIS A 5 -24.171 -8.915 -2.031 1.00 0.00 N ATOM 0 H HIS A 5 -24.271 -9.338 1.835 1.00 0.00 H new ATOM 0 HA HIS A 5 -21.692 -9.421 2.803 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -21.133 -10.161 0.439 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -22.422 -11.050 1.227 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -22.567 -7.781 -1.053 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -25.474 -10.578 -2.366 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -24.480 -8.268 -2.757 1.00 0.00 H new ATOM 94 N HIS A 6 -22.239 -6.787 0.995 1.00 0.00 N ATOM 95 CA HIS A 6 -21.667 -5.528 0.532 1.00 0.00 C ATOM 96 C HIS A 6 -21.018 -4.771 1.686 1.00 0.00 C ATOM 97 O HIS A 6 -19.884 -4.304 1.574 1.00 0.00 O ATOM 98 CB HIS A 6 -22.744 -4.661 -0.120 1.00 0.00 C ATOM 99 CG HIS A 6 -22.671 -4.640 -1.616 1.00 0.00 C ATOM 100 ND1 HIS A 6 -22.001 -5.596 -2.351 1.00 0.00 N ATOM 101 CD2 HIS A 6 -23.188 -3.770 -2.516 1.00 0.00 C ATOM 102 CE1 HIS A 6 -22.109 -5.315 -3.638 1.00 0.00 C ATOM 103 NE2 HIS A 6 -22.824 -4.213 -3.764 1.00 0.00 N ATOM 0 H HIS A 6 -23.255 -6.842 0.920 1.00 0.00 H new ATOM 0 HA HIS A 6 -20.900 -5.757 -0.208 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -23.725 -5.026 0.183 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -22.654 -3.641 0.254 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -23.776 -2.892 -2.294 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -21.685 -5.889 -4.448 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.067 -3.763 -4.646 1.00 0.00 H new ATOM 112 N GLU A 7 -21.742 -4.653 2.795 1.00 0.00 N ATOM 113 CA GLU A 7 -21.230 -3.955 3.968 1.00 0.00 C ATOM 114 C GLU A 7 -19.912 -4.567 4.425 1.00 0.00 C ATOM 115 O GLU A 7 -19.081 -3.893 5.037 1.00 0.00 O ATOM 116 CB GLU A 7 -22.253 -4.003 5.104 1.00 0.00 C ATOM 117 CG GLU A 7 -22.135 -2.843 6.078 1.00 0.00 C ATOM 118 CD GLU A 7 -22.690 -3.175 7.450 1.00 0.00 C ATOM 119 OE1 GLU A 7 -23.541 -4.085 7.542 1.00 0.00 O ATOM 120 OE2 GLU A 7 -22.273 -2.526 8.432 1.00 0.00 O ATOM 0 H GLU A 7 -22.683 -5.031 2.905 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.053 -2.914 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -23.256 -4.008 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.133 -4.939 5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.087 -2.558 6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -22.665 -1.980 5.675 1.00 0.00 H new ATOM 127 N ASN A 8 -19.723 -5.845 4.118 1.00 0.00 N ATOM 128 CA ASN A 8 -18.501 -6.547 4.491 1.00 0.00 C ATOM 129 C ASN A 8 -17.331 -6.047 3.655 1.00 0.00 C ATOM 130 O ASN A 8 -16.347 -5.535 4.190 1.00 0.00 O ATOM 131 CB ASN A 8 -18.672 -8.055 4.309 1.00 0.00 C ATOM 132 CG ASN A 8 -19.361 -8.707 5.492 1.00 0.00 C ATOM 133 OD1 ASN A 8 -20.083 -8.051 6.243 1.00 0.00 O ATOM 134 ND2 ASN A 8 -19.140 -10.005 5.664 1.00 0.00 N ATOM 0 H ASN A 8 -20.400 -6.416 3.612 1.00 0.00 H new ATOM 0 HA ASN A 8 -18.294 -6.346 5.542 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -19.251 -8.246 3.405 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.694 -8.514 4.164 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -19.576 -10.498 6.443 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -18.534 -10.509 5.017 1.00 0.00 H new ATOM 141 N GLU A 9 -17.450 -6.183 2.339 1.00 0.00 N ATOM 142 CA GLU A 9 -16.406 -5.728 1.434 1.00 0.00 C ATOM 143 C GLU A 9 -16.123 -4.244 1.654 1.00 0.00 C ATOM 144 O GLU A 9 -15.052 -3.749 1.306 1.00 0.00 O ATOM 145 CB GLU A 9 -16.816 -5.973 -0.020 1.00 0.00 C ATOM 146 CG GLU A 9 -15.935 -6.981 -0.738 1.00 0.00 C ATOM 147 CD GLU A 9 -16.168 -6.995 -2.237 1.00 0.00 C ATOM 148 OE1 GLU A 9 -17.049 -6.245 -2.708 1.00 0.00 O ATOM 149 OE2 GLU A 9 -15.469 -7.756 -2.939 1.00 0.00 O ATOM 0 H GLU A 9 -18.257 -6.603 1.878 1.00 0.00 H new ATOM 0 HA GLU A 9 -15.498 -6.294 1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -17.848 -6.323 -0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -16.787 -5.027 -0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.888 -6.750 -0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.125 -7.976 -0.335 1.00 0.00 H new ATOM 156 N ILE A 10 -17.093 -3.540 2.236 1.00 0.00 N ATOM 157 CA ILE A 10 -16.957 -2.118 2.507 1.00 0.00 C ATOM 158 C ILE A 10 -15.942 -1.875 3.631 1.00 0.00 C ATOM 159 O ILE A 10 -15.015 -1.077 3.486 1.00 0.00 O ATOM 160 CB ILE A 10 -18.357 -1.492 2.831 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.661 -0.351 1.863 1.00 0.00 C ATOM 162 CG2 ILE A 10 -18.496 -1.006 4.277 1.00 0.00 C ATOM 163 CD1 ILE A 10 -19.978 -0.520 1.139 1.00 0.00 C ATOM 0 H ILE A 10 -17.985 -3.939 2.529 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.573 -1.621 1.616 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.085 -2.294 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -18.674 0.590 2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.857 -0.281 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.491 -0.586 4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.351 -1.844 4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.745 -0.241 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.135 0.324 0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.960 -1.445 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.790 -0.561 1.865 1.00 0.00 H new ATOM 175 N SER A 11 -16.132 -2.570 4.747 1.00 0.00 N ATOM 176 CA SER A 11 -15.244 -2.433 5.895 1.00 0.00 C ATOM 177 C SER A 11 -13.847 -2.953 5.575 1.00 0.00 C ATOM 178 O SER A 11 -12.873 -2.579 6.229 1.00 0.00 O ATOM 179 CB SER A 11 -15.815 -3.182 7.099 1.00 0.00 C ATOM 180 OG SER A 11 -15.545 -4.571 7.011 1.00 0.00 O ATOM 0 H SER A 11 -16.894 -3.235 4.881 1.00 0.00 H new ATOM 0 HA SER A 11 -15.168 -1.373 6.135 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.385 -2.782 8.017 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.892 -3.020 7.155 1.00 0.00 H new ATOM 0 HG SER A 11 -15.810 -4.900 6.127 1.00 0.00 H new ATOM 186 N HIS A 12 -13.750 -3.819 4.570 1.00 0.00 N ATOM 187 CA HIS A 12 -12.469 -4.384 4.180 1.00 0.00 C ATOM 188 C HIS A 12 -11.691 -3.398 3.300 1.00 0.00 C ATOM 189 O HIS A 12 -10.477 -3.260 3.443 1.00 0.00 O ATOM 190 CB HIS A 12 -12.691 -5.753 3.495 1.00 0.00 C ATOM 191 CG HIS A 12 -11.990 -5.955 2.181 1.00 0.00 C ATOM 192 ND1 HIS A 12 -10.625 -6.112 2.067 1.00 0.00 N ATOM 193 CD2 HIS A 12 -12.482 -6.026 0.924 1.00 0.00 C ATOM 194 CE1 HIS A 12 -10.308 -6.270 0.794 1.00 0.00 C ATOM 195 NE2 HIS A 12 -11.417 -6.222 0.081 1.00 0.00 N ATOM 0 H HIS A 12 -14.542 -4.142 4.015 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.857 -4.557 5.065 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.368 -6.536 4.181 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -13.761 -5.889 3.338 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -13.520 -5.944 0.637 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.311 -6.414 0.404 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.474 -6.315 -0.933 1.00 0.00 H new ATOM 204 N HIS A 13 -12.392 -2.705 2.404 1.00 0.00 N ATOM 205 CA HIS A 13 -11.740 -1.733 1.535 1.00 0.00 C ATOM 206 C HIS A 13 -11.307 -0.511 2.338 1.00 0.00 C ATOM 207 O HIS A 13 -10.389 0.204 1.946 1.00 0.00 O ATOM 208 CB HIS A 13 -12.664 -1.285 0.404 1.00 0.00 C ATOM 209 CG HIS A 13 -13.322 -2.399 -0.342 1.00 0.00 C ATOM 210 ND1 HIS A 13 -12.746 -3.638 -0.529 1.00 0.00 N ATOM 211 CD2 HIS A 13 -14.519 -2.443 -0.965 1.00 0.00 C ATOM 212 CE1 HIS A 13 -13.564 -4.396 -1.240 1.00 0.00 C ATOM 213 NE2 HIS A 13 -14.646 -3.693 -1.516 1.00 0.00 N ATOM 0 H HIS A 13 -13.398 -2.798 2.263 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.867 -2.219 1.100 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.436 -0.638 0.819 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.089 -0.684 -0.300 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -11.833 -3.925 -0.175 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.242 -1.643 -1.019 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -13.378 -5.416 -1.543 1.00 0.00 H new ATOM 222 N ALA A 14 -11.982 -0.276 3.462 1.00 0.00 N ATOM 223 CA ALA A 14 -11.665 0.861 4.317 1.00 0.00 C ATOM 224 C ALA A 14 -10.392 0.595 5.104 1.00 0.00 C ATOM 225 O ALA A 14 -9.460 1.398 5.089 1.00 0.00 O ATOM 226 CB ALA A 14 -12.823 1.156 5.257 1.00 0.00 C ATOM 0 H ALA A 14 -12.749 -0.857 3.799 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.502 1.735 3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.571 2.008 5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.715 1.388 4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.015 0.284 5.883 1.00 0.00 H new ATOM 232 N LYS A 15 -10.351 -0.548 5.777 1.00 0.00 N ATOM 233 CA LYS A 15 -9.180 -0.927 6.550 1.00 0.00 C ATOM 234 C LYS A 15 -8.048 -1.366 5.623 1.00 0.00 C ATOM 235 O LYS A 15 -6.895 -1.467 6.043 1.00 0.00 O ATOM 236 CB LYS A 15 -9.524 -2.053 7.527 1.00 0.00 C ATOM 237 CG LYS A 15 -10.495 -1.633 8.618 1.00 0.00 C ATOM 238 CD LYS A 15 -10.144 -2.270 9.952 1.00 0.00 C ATOM 239 CE LYS A 15 -10.496 -1.358 11.116 1.00 0.00 C ATOM 240 NZ LYS A 15 -11.699 -1.836 11.852 1.00 0.00 N ATOM 0 H LYS A 15 -11.113 -1.225 5.802 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.850 -0.058 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.953 -2.887 6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.606 -2.416 7.989 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.484 -0.548 8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.508 -1.917 8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.676 -3.216 10.056 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.079 -2.499 9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.650 -1.301 11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.675 -0.349 10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.906 -1.187 12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.513 -1.866 11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.520 -2.789 12.228 1.00 0.00 H new ATOM 254 N GLU A 16 -8.381 -1.622 4.357 1.00 0.00 N ATOM 255 CA GLU A 16 -7.391 -2.043 3.378 1.00 0.00 C ATOM 256 C GLU A 16 -6.728 -0.835 2.728 1.00 0.00 C ATOM 257 O GLU A 16 -5.546 -0.879 2.394 1.00 0.00 O ATOM 258 CB GLU A 16 -8.037 -2.925 2.308 1.00 0.00 C ATOM 259 CG GLU A 16 -7.064 -3.396 1.240 1.00 0.00 C ATOM 260 CD GLU A 16 -6.802 -4.887 1.307 1.00 0.00 C ATOM 261 OE1 GLU A 16 -6.287 -5.353 2.345 1.00 0.00 O ATOM 262 OE2 GLU A 16 -7.110 -5.589 0.322 1.00 0.00 O ATOM 0 H GLU A 16 -9.330 -1.544 3.990 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.627 -2.622 3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.486 -3.795 2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.846 -2.371 1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.460 -3.144 0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.121 -2.860 1.351 1.00 0.00 H new ATOM 269 N ILE A 17 -7.486 0.248 2.558 1.00 0.00 N ATOM 270 CA ILE A 17 -6.940 1.458 1.955 1.00 0.00 C ATOM 271 C ILE A 17 -6.095 2.222 2.968 1.00 0.00 C ATOM 272 O ILE A 17 -5.072 2.812 2.620 1.00 0.00 O ATOM 273 CB ILE A 17 -8.053 2.376 1.406 1.00 0.00 C ATOM 274 CG1 ILE A 17 -7.448 3.614 0.731 1.00 0.00 C ATOM 275 CG2 ILE A 17 -9.019 2.776 2.512 1.00 0.00 C ATOM 276 CD1 ILE A 17 -6.987 4.688 1.698 1.00 0.00 C ATOM 0 H ILE A 17 -8.468 0.310 2.826 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.313 1.150 1.118 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.615 1.821 0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.600 3.303 0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.188 4.043 0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.794 3.423 2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.478 1.882 2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.477 3.310 3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.573 5.527 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.834 5.031 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.222 4.279 2.358 1.00 0.00 H new ATOM 288 N GLU A 18 -6.522 2.192 4.226 1.00 0.00 N ATOM 289 CA GLU A 18 -5.794 2.869 5.290 1.00 0.00 C ATOM 290 C GLU A 18 -4.588 2.040 5.717 1.00 0.00 C ATOM 291 O GLU A 18 -3.513 2.578 5.987 1.00 0.00 O ATOM 292 CB GLU A 18 -6.710 3.120 6.489 1.00 0.00 C ATOM 293 CG GLU A 18 -6.410 4.417 7.223 1.00 0.00 C ATOM 294 CD GLU A 18 -5.976 4.189 8.657 1.00 0.00 C ATOM 295 OE1 GLU A 18 -4.840 3.712 8.865 1.00 0.00 O ATOM 296 OE2 GLU A 18 -6.772 4.485 9.573 1.00 0.00 O ATOM 0 H GLU A 18 -7.366 1.707 4.532 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.444 3.829 4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.745 3.136 6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.618 2.288 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.627 4.958 6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.297 5.050 7.212 1.00 0.00 H new ATOM 303 N ARG A 19 -4.773 0.724 5.768 1.00 0.00 N ATOM 304 CA ARG A 19 -3.699 -0.181 6.152 1.00 0.00 C ATOM 305 C ARG A 19 -2.680 -0.306 5.029 1.00 0.00 C ATOM 306 O ARG A 19 -1.502 -0.569 5.272 1.00 0.00 O ATOM 307 CB ARG A 19 -4.261 -1.558 6.508 1.00 0.00 C ATOM 308 CG ARG A 19 -3.227 -2.504 7.096 1.00 0.00 C ATOM 309 CD ARG A 19 -3.075 -2.301 8.595 1.00 0.00 C ATOM 310 NE ARG A 19 -1.770 -2.743 9.078 1.00 0.00 N ATOM 311 CZ ARG A 19 -0.655 -2.032 8.942 1.00 0.00 C ATOM 312 NH1 ARG A 19 -0.688 -0.851 8.341 1.00 0.00 N ATOM 313 NH2 ARG A 19 0.495 -2.502 9.408 1.00 0.00 N ATOM 0 H ARG A 19 -5.656 0.263 5.548 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.202 0.231 7.030 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.076 -1.435 7.221 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.687 -2.010 5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.519 -3.535 6.895 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.266 -2.344 6.607 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.211 -1.246 8.834 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.859 -2.850 9.116 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.711 -3.647 9.546 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.570 -0.486 7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.169 -0.307 8.238 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.524 -3.410 9.871 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.350 -1.955 9.303 1.00 0.00 H new ATOM 327 N LEU A 20 -3.136 -0.105 3.797 1.00 0.00 N ATOM 328 CA LEU A 20 -2.254 -0.185 2.643 1.00 0.00 C ATOM 329 C LEU A 20 -1.345 1.034 2.597 1.00 0.00 C ATOM 330 O LEU A 20 -0.155 0.921 2.310 1.00 0.00 O ATOM 331 CB LEU A 20 -3.067 -0.286 1.350 1.00 0.00 C ATOM 332 CG LEU A 20 -3.462 -1.705 0.942 1.00 0.00 C ATOM 333 CD1 LEU A 20 -4.571 -1.671 -0.098 1.00 0.00 C ATOM 334 CD2 LEU A 20 -2.254 -2.462 0.411 1.00 0.00 C ATOM 0 H LEU A 20 -4.107 0.113 3.575 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.641 -1.082 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.973 0.309 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.490 0.161 0.540 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.834 -2.227 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.840 -2.690 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.444 -1.166 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.226 -1.132 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.553 -3.470 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.853 -1.942 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.489 -2.516 1.186 1.00 0.00 H new ATOM 346 N GLN A 21 -1.914 2.199 2.894 1.00 0.00 N ATOM 347 CA GLN A 21 -1.152 3.440 2.897 1.00 0.00 C ATOM 348 C GLN A 21 -0.028 3.375 3.926 1.00 0.00 C ATOM 349 O GLN A 21 1.117 3.726 3.634 1.00 0.00 O ATOM 350 CB GLN A 21 -2.070 4.627 3.200 1.00 0.00 C ATOM 351 CG GLN A 21 -1.345 5.963 3.240 1.00 0.00 C ATOM 352 CD GLN A 21 -2.293 7.143 3.166 1.00 0.00 C ATOM 353 OE1 GLN A 21 -2.585 7.784 4.176 1.00 0.00 O ATOM 354 NE2 GLN A 21 -2.782 7.436 1.966 1.00 0.00 N ATOM 0 H GLN A 21 -2.899 2.308 3.135 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.714 3.576 1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.854 4.671 2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.561 4.461 4.159 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.761 6.028 4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.641 6.015 2.410 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.513 6.878 1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.426 8.219 1.855 1.00 0.00 H new ATOM 363 N LYS A 22 -0.360 2.919 5.130 1.00 0.00 N ATOM 364 CA LYS A 22 0.626 2.804 6.198 1.00 0.00 C ATOM 365 C LYS A 22 1.705 1.790 5.831 1.00 0.00 C ATOM 366 O LYS A 22 2.867 1.939 6.210 1.00 0.00 O ATOM 367 CB LYS A 22 -0.052 2.395 7.507 1.00 0.00 C ATOM 368 CG LYS A 22 -0.140 3.519 8.525 1.00 0.00 C ATOM 369 CD LYS A 22 1.241 3.968 8.977 1.00 0.00 C ATOM 370 CE LYS A 22 1.664 5.252 8.282 1.00 0.00 C ATOM 371 NZ LYS A 22 2.558 6.079 9.139 1.00 0.00 N ATOM 0 H LYS A 22 -1.301 2.624 5.390 1.00 0.00 H new ATOM 0 HA LYS A 22 1.096 3.778 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.057 2.035 7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.497 1.561 7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.675 4.364 8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.717 3.186 9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.240 4.120 10.056 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.967 3.183 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.176 5.009 7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.779 5.830 8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.796 6.961 8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.073 6.304 10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.430 5.550 9.343 1.00 0.00 H new ATOM 385 N GLU A 23 1.310 0.760 5.090 1.00 0.00 N ATOM 386 CA GLU A 23 2.242 -0.281 4.670 1.00 0.00 C ATOM 387 C GLU A 23 3.257 0.263 3.671 1.00 0.00 C ATOM 388 O GLU A 23 4.420 -0.143 3.670 1.00 0.00 O ATOM 389 CB GLU A 23 1.480 -1.455 4.054 1.00 0.00 C ATOM 390 CG GLU A 23 1.219 -2.591 5.030 1.00 0.00 C ATOM 391 CD GLU A 23 2.109 -3.792 4.779 1.00 0.00 C ATOM 392 OE1 GLU A 23 1.770 -4.609 3.897 1.00 0.00 O ATOM 393 OE2 GLU A 23 3.146 -3.917 5.464 1.00 0.00 O ATOM 0 H GLU A 23 0.352 0.624 4.768 1.00 0.00 H new ATOM 0 HA GLU A 23 2.781 -0.627 5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.527 -1.095 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.046 -1.839 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.376 -2.234 6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.175 -2.896 4.956 1.00 0.00 H new ATOM 400 N ILE A 24 2.815 1.187 2.823 1.00 0.00 N ATOM 401 CA ILE A 24 3.697 1.782 1.825 1.00 0.00 C ATOM 402 C ILE A 24 4.772 2.627 2.510 1.00 0.00 C ATOM 403 O ILE A 24 5.942 2.598 2.128 1.00 0.00 O ATOM 404 CB ILE A 24 2.913 2.623 0.764 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.836 4.113 1.132 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.510 2.071 0.565 1.00 0.00 C ATOM 407 CD1 ILE A 24 4.084 4.883 0.756 1.00 0.00 C ATOM 0 H ILE A 24 1.857 1.538 2.807 1.00 0.00 H new ATOM 0 HA ILE A 24 4.178 0.968 1.283 1.00 0.00 H new ATOM 0 HB ILE A 24 3.472 2.541 -0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.976 4.560 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.667 4.208 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.984 2.672 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.571 1.039 0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.968 2.106 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.967 5.928 1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.943 4.459 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.242 4.817 -0.320 1.00 0.00 H new ATOM 419 N GLU A 25 4.358 3.375 3.530 1.00 0.00 N ATOM 420 CA GLU A 25 5.274 4.223 4.280 1.00 0.00 C ATOM 421 C GLU A 25 6.389 3.391 4.900 1.00 0.00 C ATOM 422 O GLU A 25 7.560 3.761 4.841 1.00 0.00 O ATOM 423 CB GLU A 25 4.521 4.986 5.371 1.00 0.00 C ATOM 424 CG GLU A 25 5.153 6.322 5.726 1.00 0.00 C ATOM 425 CD GLU A 25 4.159 7.293 6.333 1.00 0.00 C ATOM 426 OE1 GLU A 25 2.942 7.033 6.242 1.00 0.00 O ATOM 427 OE2 GLU A 25 4.599 8.316 6.901 1.00 0.00 O ATOM 0 H GLU A 25 3.392 3.409 3.855 1.00 0.00 H new ATOM 0 HA GLU A 25 5.718 4.941 3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.495 5.155 5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.471 4.367 6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.971 6.158 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.587 6.765 4.829 1.00 0.00 H new ATOM 434 N ARG A 26 6.016 2.258 5.487 1.00 0.00 N ATOM 435 CA ARG A 26 6.988 1.368 6.109 1.00 0.00 C ATOM 436 C ARG A 26 8.061 0.974 5.103 1.00 0.00 C ATOM 437 O ARG A 26 9.258 1.073 5.382 1.00 0.00 O ATOM 438 CB ARG A 26 6.294 0.117 6.654 1.00 0.00 C ATOM 439 CG ARG A 26 6.463 -0.067 8.153 1.00 0.00 C ATOM 440 CD ARG A 26 5.912 1.121 8.925 1.00 0.00 C ATOM 441 NE ARG A 26 6.389 1.146 10.305 1.00 0.00 N ATOM 442 CZ ARG A 26 6.108 2.119 11.164 1.00 0.00 C ATOM 443 NH1 ARG A 26 5.353 3.143 10.785 1.00 0.00 N ATOM 444 NH2 ARG A 26 6.579 2.072 12.402 1.00 0.00 N ATOM 0 H ARG A 26 5.050 1.936 5.545 1.00 0.00 H new ATOM 0 HA ARG A 26 7.459 1.895 6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.231 0.170 6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.689 -0.760 6.142 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.952 -0.976 8.469 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.519 -0.197 8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.202 2.045 8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.823 1.084 8.919 1.00 0.00 H new ATOM 0 HE ARG A 26 6.971 0.373 10.627 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.988 3.183 9.833 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.138 3.890 11.445 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.159 1.287 12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.361 2.821 13.059 1.00 0.00 H new ATOM 458 N HIS A 27 7.626 0.538 3.925 1.00 0.00 N ATOM 459 CA HIS A 27 8.550 0.142 2.871 1.00 0.00 C ATOM 460 C HIS A 27 9.357 1.342 2.385 1.00 0.00 C ATOM 461 O HIS A 27 10.451 1.188 1.844 1.00 0.00 O ATOM 462 CB HIS A 27 7.788 -0.487 1.705 1.00 0.00 C ATOM 463 CG HIS A 27 7.590 -1.964 1.849 1.00 0.00 C ATOM 464 ND1 HIS A 27 8.611 -2.879 1.700 1.00 0.00 N ATOM 465 CD2 HIS A 27 6.479 -2.685 2.131 1.00 0.00 C ATOM 466 CE1 HIS A 27 8.137 -4.099 1.884 1.00 0.00 C ATOM 467 NE2 HIS A 27 6.848 -4.007 2.148 1.00 0.00 N ATOM 0 H HIS A 27 6.640 0.450 3.678 1.00 0.00 H new ATOM 0 HA HIS A 27 9.240 -0.597 3.280 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.815 -0.005 1.615 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.328 -0.289 0.779 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.488 -2.293 2.309 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.707 -5.014 1.828 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.225 -4.793 2.335 1.00 0.00 H new ATOM 476 N LYS A 28 8.810 2.539 2.587 1.00 0.00 N ATOM 477 CA LYS A 28 9.480 3.766 2.173 1.00 0.00 C ATOM 478 C LYS A 28 10.654 4.075 3.095 1.00 0.00 C ATOM 479 O LYS A 28 11.665 4.631 2.667 1.00 0.00 O ATOM 480 CB LYS A 28 8.494 4.937 2.175 1.00 0.00 C ATOM 481 CG LYS A 28 8.961 6.126 1.353 1.00 0.00 C ATOM 482 CD LYS A 28 8.880 7.419 2.148 1.00 0.00 C ATOM 483 CE LYS A 28 10.245 7.838 2.671 1.00 0.00 C ATOM 484 NZ LYS A 28 10.349 9.314 2.831 1.00 0.00 N ATOM 0 H LYS A 28 7.905 2.683 3.035 1.00 0.00 H new ATOM 0 HA LYS A 28 9.859 3.623 1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.534 4.594 1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.328 5.259 3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.988 5.963 1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.350 6.211 0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.472 8.210 1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.192 7.291 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.430 7.355 3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.018 7.492 1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.294 9.559 3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.198 9.774 1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.628 9.642 3.505 1.00 0.00 H new ATOM 498 N GLN A 29 10.513 3.708 4.365 1.00 0.00 N ATOM 499 CA GLN A 29 11.561 3.944 5.350 1.00 0.00 C ATOM 500 C GLN A 29 12.691 2.933 5.188 1.00 0.00 C ATOM 501 O GLN A 29 13.854 3.245 5.440 1.00 0.00 O ATOM 502 CB GLN A 29 10.989 3.864 6.765 1.00 0.00 C ATOM 503 CG GLN A 29 11.646 4.826 7.741 1.00 0.00 C ATOM 504 CD GLN A 29 10.698 5.907 8.223 1.00 0.00 C ATOM 505 OE1 GLN A 29 10.176 6.690 7.429 1.00 0.00 O ATOM 506 NE2 GLN A 29 10.469 5.954 9.530 1.00 0.00 N ATOM 0 H GLN A 29 9.683 3.246 4.736 1.00 0.00 H new ATOM 0 HA GLN A 29 11.963 4.944 5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.919 4.071 6.728 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.104 2.846 7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.021 4.268 8.599 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.508 5.291 7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.923 5.285 10.152 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.839 6.659 9.912 1.00 0.00 H new ATOM 515 N SER A 30 12.341 1.723 4.767 1.00 0.00 N ATOM 516 CA SER A 30 13.329 0.668 4.570 1.00 0.00 C ATOM 517 C SER A 30 14.134 0.914 3.298 1.00 0.00 C ATOM 518 O SER A 30 15.327 0.616 3.240 1.00 0.00 O ATOM 519 CB SER A 30 12.645 -0.699 4.501 1.00 0.00 C ATOM 520 OG SER A 30 12.171 -0.969 3.192 1.00 0.00 O ATOM 0 H SER A 30 11.382 1.448 4.556 1.00 0.00 H new ATOM 0 HA SER A 30 14.011 0.678 5.420 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.347 -1.476 4.804 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.814 -0.729 5.205 1.00 0.00 H new ATOM 0 HG SER A 30 11.637 -0.211 2.874 1.00 0.00 H new ATOM 526 N ILE A 31 13.473 1.460 2.282 1.00 0.00 N ATOM 527 CA ILE A 31 14.124 1.748 1.009 1.00 0.00 C ATOM 528 C ILE A 31 15.053 2.951 1.128 1.00 0.00 C ATOM 529 O ILE A 31 16.108 2.998 0.494 1.00 0.00 O ATOM 530 CB ILE A 31 13.083 2.012 -0.097 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.766 2.316 -1.430 1.00 0.00 C ATOM 532 CG2 ILE A 31 12.167 3.159 0.299 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.534 1.145 -1.999 1.00 0.00 C ATOM 0 H ILE A 31 12.485 1.712 2.316 1.00 0.00 H new ATOM 0 HA ILE A 31 14.713 0.871 0.741 1.00 0.00 H new ATOM 0 HB ILE A 31 12.484 1.110 -0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.012 2.630 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.448 3.156 -1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.438 3.332 -0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.646 2.907 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.759 4.062 0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.991 1.435 -2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.312 0.844 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.853 0.310 -2.166 1.00 0.00 H new ATOM 545 N LYS A 32 14.658 3.921 1.947 1.00 0.00 N ATOM 546 CA LYS A 32 15.462 5.120 2.149 1.00 0.00 C ATOM 547 C LYS A 32 16.645 4.826 3.064 1.00 0.00 C ATOM 548 O LYS A 32 17.726 5.392 2.902 1.00 0.00 O ATOM 549 CB LYS A 32 14.607 6.242 2.741 1.00 0.00 C ATOM 550 CG LYS A 32 13.687 6.905 1.729 1.00 0.00 C ATOM 551 CD LYS A 32 14.476 7.639 0.657 1.00 0.00 C ATOM 552 CE LYS A 32 13.652 8.747 0.020 1.00 0.00 C ATOM 553 NZ LYS A 32 14.480 9.624 -0.852 1.00 0.00 N ATOM 0 H LYS A 32 13.788 3.900 2.480 1.00 0.00 H new ATOM 0 HA LYS A 32 15.844 5.442 1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.006 5.838 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.263 6.998 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.053 6.151 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.027 7.605 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.380 8.062 1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.793 6.933 -0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.846 8.308 -0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.186 9.348 0.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.881 10.366 -1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.234 10.064 -0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.904 9.056 -1.613 1.00 0.00 H new ATOM 567 N LYS A 33 16.432 3.930 4.023 1.00 0.00 N ATOM 568 CA LYS A 33 17.480 3.553 4.962 1.00 0.00 C ATOM 569 C LYS A 33 18.512 2.664 4.279 1.00 0.00 C ATOM 570 O LYS A 33 19.697 2.698 4.613 1.00 0.00 O ATOM 571 CB LYS A 33 16.880 2.827 6.167 1.00 0.00 C ATOM 572 CG LYS A 33 16.429 3.761 7.277 1.00 0.00 C ATOM 573 CD LYS A 33 15.457 3.075 8.224 1.00 0.00 C ATOM 574 CE LYS A 33 15.992 3.045 9.646 1.00 0.00 C ATOM 575 NZ LYS A 33 17.218 2.208 9.762 1.00 0.00 N ATOM 0 H LYS A 33 15.543 3.452 4.169 1.00 0.00 H new ATOM 0 HA LYS A 33 17.974 4.461 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.029 2.232 5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.618 2.132 6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.298 4.110 7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.955 4.641 6.843 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.500 3.596 8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.272 2.057 7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.214 4.061 9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.223 2.657 10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.444 2.060 10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.055 1.288 9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.013 2.690 9.296 1.00 0.00 H new ATOM 589 N LEU A 34 18.053 1.871 3.315 1.00 0.00 N ATOM 590 CA LEU A 34 18.936 0.977 2.578 1.00 0.00 C ATOM 591 C LEU A 34 19.856 1.772 1.659 1.00 0.00 C ATOM 592 O LEU A 34 21.048 1.482 1.554 1.00 0.00 O ATOM 593 CB LEU A 34 18.117 -0.021 1.756 1.00 0.00 C ATOM 594 CG LEU A 34 18.556 -1.487 1.867 1.00 0.00 C ATOM 595 CD1 LEU A 34 20.074 -1.605 1.863 1.00 0.00 C ATOM 596 CD2 LEU A 34 17.974 -2.121 3.121 1.00 0.00 C ATOM 0 H LEU A 34 17.075 1.830 3.027 1.00 0.00 H new ATOM 0 HA LEU A 34 19.545 0.429 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.074 0.052 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.162 0.275 0.708 1.00 0.00 H new ATOM 0 HG LEU A 34 18.175 -2.022 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 34 20.358 -2.654 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 34 20.469 -1.192 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.484 -1.053 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.295 -3.161 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.324 -1.578 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.886 -2.079 3.078 1.00 0.00 H new ATOM 608 N LYS A 35 19.294 2.779 0.996 1.00 0.00 N ATOM 609 CA LYS A 35 20.066 3.618 0.086 1.00 0.00 C ATOM 610 C LYS A 35 21.129 4.404 0.845 1.00 0.00 C ATOM 611 O LYS A 35 22.250 4.576 0.365 1.00 0.00 O ATOM 612 CB LYS A 35 19.141 4.579 -0.663 1.00 0.00 C ATOM 613 CG LYS A 35 19.467 4.708 -2.142 1.00 0.00 C ATOM 614 CD LYS A 35 19.423 3.360 -2.843 1.00 0.00 C ATOM 615 CE LYS A 35 18.606 3.425 -4.123 1.00 0.00 C ATOM 616 NZ LYS A 35 19.408 3.938 -5.268 1.00 0.00 N ATOM 0 H LYS A 35 18.309 3.033 1.072 1.00 0.00 H new ATOM 0 HA LYS A 35 20.564 2.969 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 35 18.112 4.238 -0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.201 5.563 -0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 35 18.757 5.388 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.457 5.148 -2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.438 3.035 -3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.994 2.614 -2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.226 2.432 -4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.740 4.069 -3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.815 3.967 -6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.750 4.896 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.220 3.310 -5.432 1.00 0.00 H new ATOM 630 N GLN A 36 20.771 4.878 2.034 1.00 0.00 N ATOM 631 CA GLN A 36 21.696 5.645 2.860 1.00 0.00 C ATOM 632 C GLN A 36 22.727 4.731 3.514 1.00 0.00 C ATOM 633 O GLN A 36 23.832 5.162 3.844 1.00 0.00 O ATOM 634 CB GLN A 36 20.931 6.421 3.933 1.00 0.00 C ATOM 635 CG GLN A 36 21.832 7.145 4.920 1.00 0.00 C ATOM 636 CD GLN A 36 21.215 8.428 5.441 1.00 0.00 C ATOM 637 OE1 GLN A 36 20.030 8.471 5.770 1.00 0.00 O ATOM 638 NE2 GLN A 36 22.018 9.483 5.518 1.00 0.00 N ATOM 0 H GLN A 36 19.848 4.745 2.447 1.00 0.00 H new ATOM 0 HA GLN A 36 22.220 6.351 2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 36 20.279 7.148 3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 36 20.288 5.731 4.480 1.00 0.00 H new ATOM 0 HG2 GLN A 36 22.050 6.484 5.759 1.00 0.00 H new ATOM 0 HG3 GLN A 36 22.783 7.373 4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 36 22.994 9.402 5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.658 10.374 5.861 1.00 0.00 H new ATOM 647 N SER A 37 22.359 3.468 3.696 1.00 0.00 N ATOM 648 CA SER A 37 23.252 2.492 4.310 1.00 0.00 C ATOM 649 C SER A 37 24.267 1.971 3.296 1.00 0.00 C ATOM 650 O SER A 37 25.354 1.529 3.664 1.00 0.00 O ATOM 651 CB SER A 37 22.448 1.326 4.890 1.00 0.00 C ATOM 652 OG SER A 37 22.254 1.484 6.284 1.00 0.00 O ATOM 0 H SER A 37 21.448 3.096 3.427 1.00 0.00 H new ATOM 0 HA SER A 37 23.792 2.988 5.117 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.481 1.262 4.390 1.00 0.00 H new ATOM 0 HB3 SER A 37 22.969 0.389 4.696 1.00 0.00 H new ATOM 0 HG SER A 37 21.736 0.727 6.630 1.00 0.00 H new ATOM 658 N GLU A 38 23.903 2.028 2.019 1.00 0.00 N ATOM 659 CA GLU A 38 24.783 1.563 0.954 1.00 0.00 C ATOM 660 C GLU A 38 25.883 2.581 0.675 1.00 0.00 C ATOM 661 O GLU A 38 26.960 2.230 0.193 1.00 0.00 O ATOM 662 CB GLU A 38 23.979 1.302 -0.322 1.00 0.00 C ATOM 663 CG GLU A 38 24.159 -0.102 -0.877 1.00 0.00 C ATOM 664 CD GLU A 38 23.334 -0.346 -2.125 1.00 0.00 C ATOM 665 OE1 GLU A 38 23.313 0.541 -3.004 1.00 0.00 O ATOM 666 OE2 GLU A 38 22.709 -1.423 -2.224 1.00 0.00 O ATOM 0 H GLU A 38 23.006 2.391 1.697 1.00 0.00 H new ATOM 0 HA GLU A 38 25.248 0.632 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.922 1.470 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 38 24.275 2.025 -1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.212 -0.266 -1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.880 -0.829 -0.114 1.00 0.00 H new ATOM 673 N ASP A 39 25.605 3.845 0.982 1.00 0.00 N ATOM 674 CA ASP A 39 26.573 4.914 0.766 1.00 0.00 C ATOM 675 C ASP A 39 27.704 4.837 1.785 1.00 0.00 C ATOM 676 O ASP A 39 28.829 5.258 1.512 1.00 0.00 O ATOM 677 CB ASP A 39 25.885 6.277 0.853 1.00 0.00 C ATOM 678 CG ASP A 39 26.421 7.261 -0.170 1.00 0.00 C ATOM 679 OD1 ASP A 39 27.582 7.098 -0.599 1.00 0.00 O ATOM 680 OD2 ASP A 39 25.679 8.195 -0.541 1.00 0.00 O ATOM 0 H ASP A 39 24.718 4.153 1.381 1.00 0.00 H new ATOM 0 HA ASP A 39 26.997 4.791 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.813 6.150 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.021 6.687 1.854 1.00 0.00 H new ATOM 685 N ASP A 40 27.401 4.296 2.960 1.00 0.00 N ATOM 686 CA ASP A 40 28.394 4.164 4.020 1.00 0.00 C ATOM 687 C ASP A 40 29.103 5.490 4.270 1.00 0.00 C ATOM 688 O ASP A 40 30.159 5.758 3.697 1.00 0.00 O ATOM 689 CB ASP A 40 29.417 3.085 3.657 1.00 0.00 C ATOM 690 CG ASP A 40 28.836 1.687 3.739 1.00 0.00 C ATOM 691 OD1 ASP A 40 28.412 1.283 4.843 1.00 0.00 O ATOM 692 OD2 ASP A 40 28.806 0.994 2.700 1.00 0.00 O ATOM 0 H ASP A 40 26.476 3.942 3.203 1.00 0.00 H new ATOM 0 HA ASP A 40 27.877 3.872 4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 40 29.786 3.263 2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.273 3.160 4.327 1.00 0.00 H new ATOM 697 N ASP A 41 28.515 6.317 5.128 1.00 0.00 N ATOM 698 CA ASP A 41 29.090 7.616 5.453 1.00 0.00 C ATOM 699 C ASP A 41 29.145 7.825 6.964 1.00 0.00 C ATOM 700 O ASP A 41 30.088 8.495 7.435 1.00 0.00 O ATOM 701 CB ASP A 41 28.278 8.736 4.800 1.00 0.00 C ATOM 702 CG ASP A 41 26.786 8.473 4.850 1.00 0.00 C ATOM 703 OD1 ASP A 41 26.236 8.381 5.968 1.00 0.00 O ATOM 704 OD2 ASP A 41 26.166 8.361 3.772 1.00 0.00 O ATOM 705 OXT ASP A 41 28.241 7.318 7.662 1.00 0.00 O ATOM 0 H ASP A 41 27.641 6.110 5.611 1.00 0.00 H new ATOM 0 HA ASP A 41 30.108 7.642 5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 41 28.495 9.679 5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 41 28.590 8.849 3.762 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 29.022 -14.912 0.475 1.00 0.00 N ATOM 712 CA ALA B 1 27.892 -13.996 0.781 1.00 0.00 C ATOM 713 C ALA B 1 28.325 -12.538 0.671 1.00 0.00 C ATOM 714 O ALA B 1 28.474 -11.847 1.679 1.00 0.00 O ATOM 715 CB ALA B 1 27.344 -14.281 2.170 1.00 0.00 C ATOM 0 H1 ALA B 1 28.702 -15.898 0.557 1.00 0.00 H new ATOM 0 H2 ALA B 1 29.359 -14.737 -0.493 1.00 0.00 H new ATOM 0 H3 ALA B 1 29.798 -14.743 1.147 1.00 0.00 H new ATOM 0 HA ALA B 1 27.104 -14.172 0.048 1.00 0.00 H new ATOM 0 HB1 ALA B 1 26.517 -13.603 2.381 1.00 0.00 H new ATOM 0 HB2 ALA B 1 26.990 -15.311 2.217 1.00 0.00 H new ATOM 0 HB3 ALA B 1 28.132 -14.134 2.909 1.00 0.00 H new ATOM 723 N LEU B 2 28.526 -12.077 -0.559 1.00 0.00 N ATOM 724 CA LEU B 2 28.943 -10.700 -0.801 1.00 0.00 C ATOM 725 C LEU B 2 27.871 -9.718 -0.340 1.00 0.00 C ATOM 726 O LEU B 2 26.818 -10.121 0.156 1.00 0.00 O ATOM 727 CB LEU B 2 29.240 -10.488 -2.287 1.00 0.00 C ATOM 728 CG LEU B 2 29.864 -11.689 -2.999 1.00 0.00 C ATOM 729 CD1 LEU B 2 28.835 -12.387 -3.874 1.00 0.00 C ATOM 730 CD2 LEU B 2 31.062 -11.250 -3.830 1.00 0.00 C ATOM 0 H LEU B 2 28.407 -12.636 -1.404 1.00 0.00 H new ATOM 0 HA LEU B 2 29.851 -10.516 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU B 2 28.311 -10.226 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU B 2 29.911 -9.635 -2.390 1.00 0.00 H new ATOM 0 HG LEU B 2 30.207 -12.397 -2.244 1.00 0.00 H new ATOM 0 HD11 LEU B 2 29.299 -13.239 -4.372 1.00 0.00 H new ATOM 0 HD12 LEU B 2 28.007 -12.735 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU B 2 28.460 -11.689 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU B 2 31.495 -12.116 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU B 2 30.741 -10.523 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU B 2 31.809 -10.796 -3.179 1.00 0.00 H new ATOM 742 N LYS B 3 28.145 -8.429 -0.507 1.00 0.00 N ATOM 743 CA LYS B 3 27.204 -7.389 -0.108 1.00 0.00 C ATOM 744 C LYS B 3 26.338 -6.957 -1.287 1.00 0.00 C ATOM 745 O LYS B 3 25.826 -5.837 -1.316 1.00 0.00 O ATOM 746 CB LYS B 3 27.955 -6.182 0.459 1.00 0.00 C ATOM 747 CG LYS B 3 27.650 -5.908 1.923 1.00 0.00 C ATOM 748 CD LYS B 3 27.757 -7.174 2.759 1.00 0.00 C ATOM 749 CE LYS B 3 28.062 -6.855 4.214 1.00 0.00 C ATOM 750 NZ LYS B 3 26.887 -7.099 5.094 1.00 0.00 N ATOM 0 H LYS B 3 29.011 -8.079 -0.916 1.00 0.00 H new ATOM 0 HA LYS B 3 26.554 -7.799 0.665 1.00 0.00 H new ATOM 0 HB2 LYS B 3 29.027 -6.345 0.344 1.00 0.00 H new ATOM 0 HB3 LYS B 3 27.702 -5.299 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS B 3 28.342 -5.158 2.306 1.00 0.00 H new ATOM 0 HG3 LYS B 3 26.646 -5.493 2.016 1.00 0.00 H new ATOM 0 HD2 LYS B 3 26.824 -7.733 2.696 1.00 0.00 H new ATOM 0 HD3 LYS B 3 28.540 -7.814 2.354 1.00 0.00 H new ATOM 0 HE2 LYS B 3 28.901 -7.464 4.551 1.00 0.00 H new ATOM 0 HE3 LYS B 3 28.370 -5.813 4.300 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 27.136 -6.870 6.077 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 26.094 -6.499 4.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 26.608 -8.099 5.032 1.00 0.00 H new ATOM 764 N LYS B 4 26.178 -7.850 -2.258 1.00 0.00 N ATOM 765 CA LYS B 4 25.373 -7.560 -3.438 1.00 0.00 C ATOM 766 C LYS B 4 23.889 -7.758 -3.147 1.00 0.00 C ATOM 767 O LYS B 4 23.040 -7.043 -3.680 1.00 0.00 O ATOM 768 CB LYS B 4 25.798 -8.453 -4.604 1.00 0.00 C ATOM 769 CG LYS B 4 24.994 -8.223 -5.873 1.00 0.00 C ATOM 770 CD LYS B 4 23.873 -9.240 -6.014 1.00 0.00 C ATOM 771 CE LYS B 4 24.364 -10.521 -6.670 1.00 0.00 C ATOM 772 NZ LYS B 4 23.257 -11.493 -6.888 1.00 0.00 N ATOM 0 H LYS B 4 26.595 -8.781 -2.251 1.00 0.00 H new ATOM 0 HA LYS B 4 25.536 -6.517 -3.710 1.00 0.00 H new ATOM 0 HB2 LYS B 4 26.853 -8.281 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS B 4 25.699 -9.497 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS B 4 24.575 -7.217 -5.862 1.00 0.00 H new ATOM 0 HG3 LYS B 4 25.653 -8.284 -6.739 1.00 0.00 H new ATOM 0 HD2 LYS B 4 23.461 -9.468 -5.031 1.00 0.00 H new ATOM 0 HD3 LYS B 4 23.065 -8.813 -6.607 1.00 0.00 H new ATOM 0 HE2 LYS B 4 24.832 -10.283 -7.625 1.00 0.00 H new ATOM 0 HE3 LYS B 4 25.131 -10.978 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 23.633 -12.352 -7.337 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 22.827 -11.740 -5.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 22.537 -11.066 -7.506 1.00 0.00 H new ATOM 786 N HIS B 5 23.584 -8.732 -2.296 1.00 0.00 N ATOM 787 CA HIS B 5 22.203 -9.025 -1.933 1.00 0.00 C ATOM 788 C HIS B 5 21.478 -7.760 -1.483 1.00 0.00 C ATOM 789 O HIS B 5 20.253 -7.670 -1.571 1.00 0.00 O ATOM 790 CB HIS B 5 22.155 -10.075 -0.822 1.00 0.00 C ATOM 791 CG HIS B 5 23.068 -9.772 0.326 1.00 0.00 C ATOM 792 ND1 HIS B 5 24.024 -10.656 0.781 1.00 0.00 N ATOM 793 CD2 HIS B 5 23.166 -8.674 1.115 1.00 0.00 C ATOM 794 CE1 HIS B 5 24.671 -10.115 1.800 1.00 0.00 C ATOM 795 NE2 HIS B 5 24.169 -8.915 2.021 1.00 0.00 N ATOM 0 H HIS B 5 24.275 -9.332 -1.845 1.00 0.00 H new ATOM 0 HA HIS B 5 21.699 -9.418 -2.816 1.00 0.00 H new ATOM 0 HB2 HIS B 5 21.133 -10.154 -0.452 1.00 0.00 H new ATOM 0 HB3 HIS B 5 22.419 -11.047 -1.239 1.00 0.00 H new ATOM 0 HD2 HIS B 5 22.567 -7.778 1.044 1.00 0.00 H new ATOM 0 HE1 HIS B 5 25.473 -10.577 2.356 1.00 0.00 H new ATOM 0 HE2 HIS B 5 24.477 -8.270 2.748 1.00 0.00 H new ATOM 804 N HIS B 6 22.242 -6.782 -1.004 1.00 0.00 N ATOM 805 CA HIS B 6 21.670 -5.523 -0.543 1.00 0.00 C ATOM 806 C HIS B 6 21.020 -4.767 -1.697 1.00 0.00 C ATOM 807 O HIS B 6 19.887 -4.299 -1.583 1.00 0.00 O ATOM 808 CB HIS B 6 22.749 -4.656 0.108 1.00 0.00 C ATOM 809 CG HIS B 6 22.677 -4.634 1.603 1.00 0.00 C ATOM 810 ND1 HIS B 6 22.009 -5.591 2.339 1.00 0.00 N ATOM 811 CD2 HIS B 6 23.194 -3.763 2.503 1.00 0.00 C ATOM 812 CE1 HIS B 6 22.118 -5.310 3.625 1.00 0.00 C ATOM 813 NE2 HIS B 6 22.832 -4.207 3.751 1.00 0.00 N ATOM 0 H HIS B 6 23.257 -6.838 -0.926 1.00 0.00 H new ATOM 0 HA HIS B 6 20.902 -5.750 0.197 1.00 0.00 H new ATOM 0 HB2 HIS B 6 23.730 -5.022 -0.195 1.00 0.00 H new ATOM 0 HB3 HIS B 6 22.660 -3.636 -0.267 1.00 0.00 H new ATOM 0 HD2 HIS B 6 23.781 -2.884 2.280 1.00 0.00 H new ATOM 0 HE1 HIS B 6 21.695 -5.885 4.435 1.00 0.00 H new ATOM 0 HE2 HIS B 6 23.076 -3.757 4.633 1.00 0.00 H new ATOM 822 N GLU B 7 21.740 -4.657 -2.808 1.00 0.00 N ATOM 823 CA GLU B 7 21.228 -3.961 -3.982 1.00 0.00 C ATOM 824 C GLU B 7 19.911 -4.577 -4.443 1.00 0.00 C ATOM 825 O GLU B 7 19.089 -3.915 -5.075 1.00 0.00 O ATOM 826 CB GLU B 7 22.253 -4.005 -5.117 1.00 0.00 C ATOM 827 CG GLU B 7 22.136 -2.842 -6.088 1.00 0.00 C ATOM 828 CD GLU B 7 22.690 -3.170 -7.460 1.00 0.00 C ATOM 829 OE1 GLU B 7 23.542 -4.079 -7.555 1.00 0.00 O ATOM 830 OE2 GLU B 7 22.273 -2.519 -8.441 1.00 0.00 O ATOM 0 H GLU B 7 22.679 -5.040 -2.920 1.00 0.00 H new ATOM 0 HA GLU B 7 21.048 -2.921 -3.709 1.00 0.00 H new ATOM 0 HB2 GLU B 7 23.256 -4.011 -4.690 1.00 0.00 H new ATOM 0 HB3 GLU B 7 22.135 -4.939 -5.666 1.00 0.00 H new ATOM 0 HG2 GLU B 7 21.088 -2.556 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU B 7 22.666 -1.980 -5.683 1.00 0.00 H new ATOM 837 N ASN B 8 19.714 -5.850 -4.117 1.00 0.00 N ATOM 838 CA ASN B 8 18.493 -6.550 -4.492 1.00 0.00 C ATOM 839 C ASN B 8 17.324 -6.054 -3.654 1.00 0.00 C ATOM 840 O ASN B 8 16.334 -5.551 -4.186 1.00 0.00 O ATOM 841 CB ASN B 8 18.665 -8.060 -4.314 1.00 0.00 C ATOM 842 CG ASN B 8 19.357 -8.706 -5.498 1.00 0.00 C ATOM 843 OD1 ASN B 8 20.079 -8.047 -6.247 1.00 0.00 O ATOM 844 ND2 ASN B 8 19.141 -10.005 -5.674 1.00 0.00 N ATOM 0 H ASN B 8 20.383 -6.416 -3.595 1.00 0.00 H new ATOM 0 HA ASN B 8 18.286 -6.345 -5.542 1.00 0.00 H new ATOM 0 HB2 ASN B 8 19.242 -8.253 -3.410 1.00 0.00 H new ATOM 0 HB3 ASN B 8 17.687 -8.520 -4.173 1.00 0.00 H new ATOM 0 HD21 ASN B 8 19.581 -10.494 -6.454 1.00 0.00 H new ATOM 0 HD22 ASN B 8 18.535 -10.513 -5.030 1.00 0.00 H new ATOM 851 N GLU B 9 17.451 -6.182 -2.338 1.00 0.00 N ATOM 852 CA GLU B 9 16.409 -5.727 -1.430 1.00 0.00 C ATOM 853 C GLU B 9 16.123 -4.244 -1.651 1.00 0.00 C ATOM 854 O GLU B 9 15.050 -3.751 -1.304 1.00 0.00 O ATOM 855 CB GLU B 9 16.823 -5.970 0.023 1.00 0.00 C ATOM 856 CG GLU B 9 15.945 -6.979 0.745 1.00 0.00 C ATOM 857 CD GLU B 9 16.180 -6.989 2.243 1.00 0.00 C ATOM 858 OE1 GLU B 9 17.062 -6.238 2.711 1.00 0.00 O ATOM 859 OE2 GLU B 9 15.482 -7.748 2.948 1.00 0.00 O ATOM 0 H GLU B 9 18.263 -6.596 -1.879 1.00 0.00 H new ATOM 0 HA GLU B 9 15.501 -6.295 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU B 9 17.856 -6.318 0.044 1.00 0.00 H new ATOM 0 HB3 GLU B 9 16.795 -5.024 0.563 1.00 0.00 H new ATOM 0 HG2 GLU B 9 14.898 -6.751 0.547 1.00 0.00 H new ATOM 0 HG3 GLU B 9 16.136 -7.974 0.344 1.00 0.00 H new ATOM 866 N ILE B 10 17.091 -3.539 -2.232 1.00 0.00 N ATOM 867 CA ILE B 10 16.950 -2.115 -2.504 1.00 0.00 C ATOM 868 C ILE B 10 15.933 -1.882 -3.627 1.00 0.00 C ATOM 869 O ILE B 10 14.990 -1.105 -3.476 1.00 0.00 O ATOM 870 CB ILE B 10 18.345 -1.481 -2.831 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.650 -0.350 -1.849 1.00 0.00 C ATOM 872 CG2 ILE B 10 18.473 -0.972 -4.271 1.00 0.00 C ATOM 873 CD1 ILE B 10 19.972 -0.524 -1.133 1.00 0.00 C ATOM 0 H ILE B 10 17.985 -3.935 -2.524 1.00 0.00 H new ATOM 0 HA ILE B 10 16.568 -1.618 -1.613 1.00 0.00 H new ATOM 0 HB ILE B 10 19.075 -2.283 -2.725 1.00 0.00 H new ATOM 0 HG12 ILE B 10 18.657 0.598 -2.387 1.00 0.00 H new ATOM 0 HG13 ILE B 10 17.849 -0.292 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE B 10 19.466 -0.548 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE B 10 18.325 -1.800 -4.964 1.00 0.00 H new ATOM 0 HG23 ILE B 10 17.720 -0.206 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.129 0.312 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE B 10 19.960 -1.456 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE B 10 20.780 -0.553 -1.864 1.00 0.00 H new ATOM 885 N SER B 11 16.142 -2.558 -4.753 1.00 0.00 N ATOM 886 CA SER B 11 15.254 -2.423 -5.901 1.00 0.00 C ATOM 887 C SER B 11 13.856 -2.944 -5.582 1.00 0.00 C ATOM 888 O SER B 11 12.882 -2.569 -6.236 1.00 0.00 O ATOM 889 CB SER B 11 15.826 -3.175 -7.104 1.00 0.00 C ATOM 890 OG SER B 11 15.555 -4.563 -7.016 1.00 0.00 O ATOM 0 H SER B 11 16.918 -3.204 -4.894 1.00 0.00 H new ATOM 0 HA SER B 11 15.177 -1.363 -6.142 1.00 0.00 H new ATOM 0 HB2 SER B 11 15.398 -2.776 -8.023 1.00 0.00 H new ATOM 0 HB3 SER B 11 16.903 -3.015 -7.158 1.00 0.00 H new ATOM 0 HG SER B 11 15.799 -4.888 -6.124 1.00 0.00 H new ATOM 896 N HIS B 12 13.759 -3.810 -4.578 1.00 0.00 N ATOM 897 CA HIS B 12 12.476 -4.376 -4.188 1.00 0.00 C ATOM 898 C HIS B 12 11.695 -3.391 -3.311 1.00 0.00 C ATOM 899 O HIS B 12 10.482 -3.249 -3.461 1.00 0.00 O ATOM 900 CB HIS B 12 12.698 -5.746 -3.505 1.00 0.00 C ATOM 901 CG HIS B 12 11.996 -5.949 -2.191 1.00 0.00 C ATOM 902 ND1 HIS B 12 10.630 -6.109 -2.080 1.00 0.00 N ATOM 903 CD2 HIS B 12 12.486 -6.020 -0.935 1.00 0.00 C ATOM 904 CE1 HIS B 12 10.311 -6.269 -0.808 1.00 0.00 C ATOM 905 NE2 HIS B 12 11.420 -6.219 -0.092 1.00 0.00 N ATOM 0 H HIS B 12 14.551 -4.133 -4.023 1.00 0.00 H new ATOM 0 HA HIS B 12 11.864 -4.549 -5.073 1.00 0.00 H new ATOM 0 HB2 HIS B 12 12.375 -6.529 -4.192 1.00 0.00 H new ATOM 0 HB3 HIS B 12 13.768 -5.882 -3.347 1.00 0.00 H new ATOM 0 HD2 HIS B 12 13.523 -5.936 -0.647 1.00 0.00 H new ATOM 0 HE1 HIS B 12 9.314 -6.416 -0.420 1.00 0.00 H new ATOM 0 HE2 HIS B 12 11.476 -6.313 0.922 1.00 0.00 H new ATOM 914 N HIS B 13 12.392 -2.705 -2.407 1.00 0.00 N ATOM 915 CA HIS B 13 11.738 -1.733 -1.538 1.00 0.00 C ATOM 916 C HIS B 13 11.305 -0.511 -2.339 1.00 0.00 C ATOM 917 O HIS B 13 10.388 0.206 -1.945 1.00 0.00 O ATOM 918 CB HIS B 13 12.661 -1.287 -0.405 1.00 0.00 C ATOM 919 CG HIS B 13 13.317 -2.402 0.341 1.00 0.00 C ATOM 920 ND1 HIS B 13 12.741 -3.640 0.528 1.00 0.00 N ATOM 921 CD2 HIS B 13 14.513 -2.444 0.966 1.00 0.00 C ATOM 922 CE1 HIS B 13 13.558 -4.398 1.239 1.00 0.00 C ATOM 923 NE2 HIS B 13 14.640 -3.695 1.516 1.00 0.00 N ATOM 0 H HIS B 13 13.396 -2.803 -2.259 1.00 0.00 H new ATOM 0 HA HIS B 13 10.864 -2.219 -1.106 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.435 -0.640 -0.818 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.085 -0.686 0.299 1.00 0.00 H new ATOM 0 HD1 HIS B 13 11.828 -3.926 0.174 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.235 -1.643 1.023 1.00 0.00 H new ATOM 0 HE1 HIS B 13 13.372 -5.418 1.541 1.00 0.00 H new ATOM 932 N ALA B 14 11.977 -0.275 -3.465 1.00 0.00 N ATOM 933 CA ALA B 14 11.660 0.861 -4.318 1.00 0.00 C ATOM 934 C ALA B 14 10.387 0.594 -5.104 1.00 0.00 C ATOM 935 O ALA B 14 9.453 1.395 -5.083 1.00 0.00 O ATOM 936 CB ALA B 14 12.818 1.158 -5.261 1.00 0.00 C ATOM 0 H ALA B 14 12.743 -0.857 -3.804 1.00 0.00 H new ATOM 0 HA ALA B 14 11.499 1.734 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.564 2.010 -5.892 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.710 1.390 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.009 0.287 -5.888 1.00 0.00 H new ATOM 942 N LYS B 15 10.348 -0.546 -5.781 1.00 0.00 N ATOM 943 CA LYS B 15 9.176 -0.926 -6.552 1.00 0.00 C ATOM 944 C LYS B 15 8.046 -1.367 -5.623 1.00 0.00 C ATOM 945 O LYS B 15 6.894 -1.475 -6.043 1.00 0.00 O ATOM 946 CB LYS B 15 9.519 -2.049 -7.531 1.00 0.00 C ATOM 947 CG LYS B 15 10.493 -1.630 -8.621 1.00 0.00 C ATOM 948 CD LYS B 15 10.141 -2.265 -9.956 1.00 0.00 C ATOM 949 CE LYS B 15 10.494 -1.351 -11.118 1.00 0.00 C ATOM 950 NZ LYS B 15 11.699 -1.828 -11.854 1.00 0.00 N ATOM 0 H LYS B 15 11.113 -1.220 -5.811 1.00 0.00 H new ATOM 0 HA LYS B 15 8.844 -0.057 -7.120 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.945 -2.885 -6.977 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.600 -2.409 -7.995 1.00 0.00 H new ATOM 0 HG2 LYS B 15 10.485 -0.545 -8.720 1.00 0.00 H new ATOM 0 HG3 LYS B 15 11.505 -1.917 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS B 15 10.672 -3.211 -10.061 1.00 0.00 H new ATOM 0 HD3 LYS B 15 9.075 -2.493 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS B 15 9.649 -1.293 -11.804 1.00 0.00 H new ATOM 0 HE3 LYS B 15 10.672 -0.342 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 11.907 -1.178 -12.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 12.512 -1.859 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 11.521 -2.780 -12.232 1.00 0.00 H new ATOM 964 N GLU B 16 8.380 -1.616 -4.355 1.00 0.00 N ATOM 965 CA GLU B 16 7.392 -2.038 -3.375 1.00 0.00 C ATOM 966 C GLU B 16 6.726 -0.831 -2.725 1.00 0.00 C ATOM 967 O GLU B 16 5.545 -0.877 -2.388 1.00 0.00 O ATOM 968 CB GLU B 16 8.040 -2.919 -2.307 1.00 0.00 C ATOM 969 CG GLU B 16 7.068 -3.396 -1.241 1.00 0.00 C ATOM 970 CD GLU B 16 6.810 -4.888 -1.312 1.00 0.00 C ATOM 971 OE1 GLU B 16 6.298 -5.353 -2.353 1.00 0.00 O ATOM 972 OE2 GLU B 16 7.120 -5.593 -0.328 1.00 0.00 O ATOM 0 H GLU B 16 9.328 -1.531 -3.988 1.00 0.00 H new ATOM 0 HA GLU B 16 6.628 -2.618 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU B 16 8.493 -3.786 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.846 -2.363 -1.829 1.00 0.00 H new ATOM 0 HG2 GLU B 16 7.463 -3.146 -0.256 1.00 0.00 H new ATOM 0 HG3 GLU B 16 6.124 -2.862 -1.351 1.00 0.00 H new ATOM 979 N ILE B 17 7.483 0.251 -2.555 1.00 0.00 N ATOM 980 CA ILE B 17 6.936 1.462 -1.951 1.00 0.00 C ATOM 981 C ILE B 17 6.093 2.226 -2.965 1.00 0.00 C ATOM 982 O ILE B 17 5.072 2.819 -2.617 1.00 0.00 O ATOM 983 CB ILE B 17 8.050 2.379 -1.401 1.00 0.00 C ATOM 984 CG1 ILE B 17 7.443 3.617 -0.725 1.00 0.00 C ATOM 985 CG2 ILE B 17 9.017 2.779 -2.505 1.00 0.00 C ATOM 986 CD1 ILE B 17 6.984 4.690 -1.693 1.00 0.00 C ATOM 0 H ILE B 17 8.465 0.314 -2.824 1.00 0.00 H new ATOM 0 HA ILE B 17 6.308 1.155 -1.115 1.00 0.00 H new ATOM 0 HB ILE B 17 8.612 1.823 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE B 17 6.594 3.305 -0.116 1.00 0.00 H new ATOM 0 HG13 ILE B 17 8.181 4.046 -0.047 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.793 3.425 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.476 1.885 -2.928 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.477 3.314 -3.286 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.568 5.529 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE B 17 7.832 5.033 -2.285 1.00 0.00 H new ATOM 0 HD13 ILE B 17 6.221 4.281 -2.355 1.00 0.00 H new ATOM 998 N GLU B 18 6.519 2.193 -4.224 1.00 0.00 N ATOM 999 CA GLU B 18 5.792 2.869 -5.288 1.00 0.00 C ATOM 1000 C GLU B 18 4.588 2.040 -5.717 1.00 0.00 C ATOM 1001 O GLU B 18 3.512 2.576 -5.986 1.00 0.00 O ATOM 1002 CB GLU B 18 6.710 3.122 -6.486 1.00 0.00 C ATOM 1003 CG GLU B 18 6.411 4.420 -7.219 1.00 0.00 C ATOM 1004 CD GLU B 18 5.975 4.192 -8.653 1.00 0.00 C ATOM 1005 OE1 GLU B 18 4.840 3.717 -8.862 1.00 0.00 O ATOM 1006 OE2 GLU B 18 6.771 4.491 -9.570 1.00 0.00 O ATOM 0 H GLU B 18 7.362 1.706 -4.530 1.00 0.00 H new ATOM 0 HA GLU B 18 5.440 3.829 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.745 3.138 -6.143 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.619 2.291 -7.185 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.629 4.962 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU B 18 7.299 5.052 -7.209 1.00 0.00 H new ATOM 1013 N ARG B 19 4.775 0.724 -5.771 1.00 0.00 N ATOM 1014 CA ARG B 19 3.701 -0.180 -6.157 1.00 0.00 C ATOM 1015 C ARG B 19 2.680 -0.306 -5.035 1.00 0.00 C ATOM 1016 O ARG B 19 1.502 -0.563 -5.281 1.00 0.00 O ATOM 1017 CB ARG B 19 4.263 -1.558 -6.513 1.00 0.00 C ATOM 1018 CG ARG B 19 3.228 -2.503 -7.101 1.00 0.00 C ATOM 1019 CD ARG B 19 3.074 -2.298 -8.599 1.00 0.00 C ATOM 1020 NE ARG B 19 1.768 -2.739 -9.081 1.00 0.00 N ATOM 1021 CZ ARG B 19 0.654 -2.028 -8.943 1.00 0.00 C ATOM 1022 NH1 ARG B 19 0.689 -0.846 -8.342 1.00 0.00 N ATOM 1023 NH2 ARG B 19 -0.496 -2.497 -9.408 1.00 0.00 N ATOM 0 H ARG B 19 5.658 0.263 -5.553 1.00 0.00 H new ATOM 0 HA ARG B 19 3.205 0.234 -7.035 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.078 -1.436 -7.226 1.00 0.00 H new ATOM 0 HB3 ARG B 19 4.689 -2.010 -5.617 1.00 0.00 H new ATOM 0 HG2 ARG B 19 3.520 -3.534 -6.902 1.00 0.00 H new ATOM 0 HG3 ARG B 19 2.268 -2.344 -6.610 1.00 0.00 H new ATOM 0 HD2 ARG B 19 3.210 -1.243 -8.836 1.00 0.00 H new ATOM 0 HD3 ARG B 19 3.857 -2.846 -9.122 1.00 0.00 H new ATOM 0 HE ARG B 19 1.708 -3.643 -9.550 1.00 0.00 H new ATOM 0 HH11 ARG B 19 1.572 -0.481 -7.985 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -0.167 -0.302 -8.237 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -0.526 -3.405 -9.872 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -1.350 -1.950 -9.301 1.00 0.00 H new ATOM 1037 N LEU B 20 3.135 -0.111 -3.801 1.00 0.00 N ATOM 1038 CA LEU B 20 2.251 -0.192 -2.651 1.00 0.00 C ATOM 1039 C LEU B 20 1.341 1.026 -2.611 1.00 0.00 C ATOM 1040 O LEU B 20 0.148 0.913 -2.335 1.00 0.00 O ATOM 1041 CB LEU B 20 3.057 -0.288 -1.354 1.00 0.00 C ATOM 1042 CG LEU B 20 3.456 -1.707 -0.945 1.00 0.00 C ATOM 1043 CD1 LEU B 20 4.560 -1.670 0.100 1.00 0.00 C ATOM 1044 CD2 LEU B 20 2.248 -2.468 -0.419 1.00 0.00 C ATOM 0 H LEU B 20 4.107 0.103 -3.576 1.00 0.00 H new ATOM 0 HA LEU B 20 1.643 -1.092 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.961 0.311 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.474 0.156 -0.547 1.00 0.00 H new ATOM 0 HG LEU B 20 3.834 -2.227 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU B 20 4.831 -2.688 0.379 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.433 -1.162 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.209 -1.134 0.981 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.549 -3.476 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.842 -1.950 0.450 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.487 -2.524 -1.197 1.00 0.00 H new ATOM 1056 N GLN B 21 1.913 2.193 -2.898 1.00 0.00 N ATOM 1057 CA GLN B 21 1.152 3.435 -2.902 1.00 0.00 C ATOM 1058 C GLN B 21 0.027 3.369 -3.930 1.00 0.00 C ATOM 1059 O GLN B 21 -1.117 3.722 -3.638 1.00 0.00 O ATOM 1060 CB GLN B 21 2.069 4.620 -3.207 1.00 0.00 C ATOM 1061 CG GLN B 21 1.347 5.956 -3.241 1.00 0.00 C ATOM 1062 CD GLN B 21 2.297 7.135 -3.164 1.00 0.00 C ATOM 1063 OE1 GLN B 21 2.593 7.776 -4.174 1.00 0.00 O ATOM 1064 NE2 GLN B 21 2.781 7.428 -1.963 1.00 0.00 N ATOM 0 H GLN B 21 2.900 2.302 -3.130 1.00 0.00 H new ATOM 0 HA GLN B 21 0.715 3.572 -1.913 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.857 4.662 -2.455 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.555 4.455 -4.169 1.00 0.00 H new ATOM 0 HG2 GLN B 21 0.762 6.025 -4.158 1.00 0.00 H new ATOM 0 HG3 GLN B 21 0.644 6.006 -2.410 1.00 0.00 H new ATOM 0 HE21 GLN B 21 2.509 6.870 -1.154 1.00 0.00 H new ATOM 0 HE22 GLN B 21 3.425 8.211 -1.850 1.00 0.00 H new ATOM 1073 N LYS B 22 0.357 2.913 -5.135 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.631 2.800 -6.202 1.00 0.00 C ATOM 1075 C LYS B 22 -1.709 1.786 -5.835 1.00 0.00 C ATOM 1076 O LYS B 22 -2.871 1.933 -6.215 1.00 0.00 O ATOM 1077 CB LYS B 22 0.047 2.392 -7.512 1.00 0.00 C ATOM 1078 CG LYS B 22 0.136 3.520 -8.527 1.00 0.00 C ATOM 1079 CD LYS B 22 -1.244 3.974 -8.978 1.00 0.00 C ATOM 1080 CE LYS B 22 -1.664 5.257 -8.280 1.00 0.00 C ATOM 1081 NZ LYS B 22 -2.559 6.086 -9.134 1.00 0.00 N ATOM 0 H LYS B 22 1.298 2.617 -5.396 1.00 0.00 H new ATOM 0 HA LYS B 22 -1.102 3.774 -6.335 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.052 2.030 -7.294 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -0.503 1.560 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS B 22 0.673 4.362 -8.090 1.00 0.00 H new ATOM 0 HG3 LYS B 22 0.712 3.189 -9.391 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -1.243 4.129 -10.057 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -1.972 3.190 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -2.175 5.013 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -0.778 5.834 -8.016 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -2.809 6.960 -8.629 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -2.069 6.326 -10.019 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -3.424 5.552 -9.351 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.315 0.756 -5.093 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.246 -0.285 -4.673 1.00 0.00 C ATOM 1097 C GLU B 23 -3.258 0.258 -3.669 1.00 0.00 C ATOM 1098 O GLU B 23 -4.420 -0.153 -3.660 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.484 -1.463 -4.061 1.00 0.00 C ATOM 1100 CG GLU B 23 -1.225 -2.594 -5.041 1.00 0.00 C ATOM 1101 CD GLU B 23 -2.113 -3.798 -4.790 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -1.771 -4.614 -3.907 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -3.149 -3.925 -5.475 1.00 0.00 O ATOM 0 H GLU B 23 -0.357 0.620 -4.770 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.787 -0.629 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.531 -1.105 -3.671 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -2.050 -1.850 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -1.386 -2.234 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -0.180 -2.897 -4.973 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.814 1.186 -2.826 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.693 1.778 -1.823 1.00 0.00 C ATOM 1112 C ILE B 24 -4.768 2.627 -2.504 1.00 0.00 C ATOM 1113 O ILE B 24 -5.937 2.597 -2.119 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.902 2.617 -0.763 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.827 4.108 -1.128 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.497 2.063 -0.574 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -4.075 4.875 -0.748 1.00 0.00 C ATOM 0 H ILE B 24 -1.858 1.542 -2.817 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.174 0.964 -1.281 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.455 2.533 0.173 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.967 4.555 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.660 4.206 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.966 2.662 0.167 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.556 1.030 -0.231 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.961 2.100 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.960 5.921 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.935 4.451 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.231 4.806 0.329 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.355 3.376 -3.524 1.00 0.00 N ATOM 1130 CA GLU B 25 -5.272 4.227 -4.270 1.00 0.00 C ATOM 1131 C GLU B 25 -6.387 3.395 -4.890 1.00 0.00 C ATOM 1132 O GLU B 25 -7.558 3.765 -4.830 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.520 4.992 -5.360 1.00 0.00 C ATOM 1134 CG GLU B 25 -5.154 6.327 -5.715 1.00 0.00 C ATOM 1135 CD GLU B 25 -4.163 7.299 -6.325 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -2.945 7.040 -6.235 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -4.605 8.319 -6.892 1.00 0.00 O ATOM 0 H GLU B 25 -3.389 3.409 -3.851 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.715 4.944 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.495 5.162 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.469 4.374 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.973 6.161 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.586 6.770 -4.818 1.00 0.00 H new ATOM 1144 N ARG B 26 -6.015 2.264 -5.482 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.987 1.376 -6.105 1.00 0.00 C ATOM 1146 C ARG B 26 -8.060 0.981 -5.100 1.00 0.00 C ATOM 1147 O ARG B 26 -9.256 1.080 -5.379 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.294 0.126 -6.652 1.00 0.00 C ATOM 1149 CG ARG B 26 -6.466 -0.058 -8.150 1.00 0.00 C ATOM 1150 CD ARG B 26 -5.914 1.129 -8.924 1.00 0.00 C ATOM 1151 NE ARG B 26 -6.391 1.154 -10.304 1.00 0.00 N ATOM 1152 CZ ARG B 26 -6.109 2.128 -11.163 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -5.355 3.151 -10.785 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -6.581 2.079 -12.401 1.00 0.00 N ATOM 0 H ARG B 26 -5.049 1.942 -5.543 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.458 1.905 -6.933 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.230 0.180 -6.421 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.688 -0.751 -6.139 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -5.957 -0.969 -8.467 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -7.523 -0.186 -8.383 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -6.203 2.053 -8.424 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -4.825 1.090 -8.918 1.00 0.00 H new ATOM 0 HE ARG B 26 -6.973 0.381 -10.627 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -4.990 3.191 -9.833 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -5.140 3.898 -11.446 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -7.161 1.293 -12.695 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -6.364 2.827 -13.060 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.625 0.543 -3.922 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.550 0.145 -2.870 1.00 0.00 C ATOM 1170 C HIS B 27 -9.359 1.345 -2.385 1.00 0.00 C ATOM 1171 O HIS B 27 -10.456 1.190 -1.849 1.00 0.00 O ATOM 1172 CB HIS B 27 -7.790 -0.484 -1.702 1.00 0.00 C ATOM 1173 CG HIS B 27 -7.591 -1.961 -1.848 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -8.613 -2.877 -1.697 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -6.481 -2.683 -2.133 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -8.139 -4.096 -1.883 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -6.850 -4.005 -2.149 1.00 0.00 N ATOM 0 H HIS B 27 -6.640 0.455 -3.674 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.237 -0.595 -3.280 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.817 -0.001 -1.609 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.333 -0.288 -0.777 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -5.491 -2.292 -2.314 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -8.710 -5.011 -1.827 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -6.227 -4.791 -2.336 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.810 2.542 -2.579 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.480 3.768 -2.166 1.00 0.00 C ATOM 1188 C LYS B 28 -10.654 4.078 -3.089 1.00 0.00 C ATOM 1189 O LYS B 28 -11.666 4.631 -2.658 1.00 0.00 O ATOM 1190 CB LYS B 28 -8.493 4.938 -2.169 1.00 0.00 C ATOM 1191 CG LYS B 28 -8.960 6.128 -1.346 1.00 0.00 C ATOM 1192 CD LYS B 28 -8.880 7.421 -2.142 1.00 0.00 C ATOM 1193 CE LYS B 28 -10.245 7.839 -2.664 1.00 0.00 C ATOM 1194 NZ LYS B 28 -10.350 9.316 -2.823 1.00 0.00 N ATOM 0 H LYS B 28 -7.902 2.687 -3.020 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.860 3.625 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.533 4.594 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -8.327 5.260 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.986 5.964 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.348 6.214 -0.448 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.472 8.212 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -8.193 7.293 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.430 7.356 -3.624 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.018 7.492 -1.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.295 9.560 -3.181 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.199 9.776 -1.903 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.629 9.645 -3.497 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.511 3.716 -4.360 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.560 3.952 -5.344 1.00 0.00 C ATOM 1210 C GLN B 29 -12.689 2.940 -5.184 1.00 0.00 C ATOM 1211 O GLN B 29 -13.852 3.249 -5.437 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.987 3.874 -6.759 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.647 4.835 -7.735 1.00 0.00 C ATOM 1214 CD GLN B 29 -10.698 5.915 -8.218 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -10.177 6.700 -7.425 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -10.471 5.962 -9.526 1.00 0.00 N ATOM 0 H GLN B 29 -9.679 3.258 -4.732 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.963 4.951 -5.178 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.918 4.084 -6.722 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -11.099 2.856 -7.132 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -12.023 4.276 -8.592 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -12.508 5.300 -7.255 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -10.924 5.291 -10.147 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.843 6.669 -9.910 1.00 0.00 H new ATOM 1225 N SER B 30 -12.337 1.730 -4.762 1.00 0.00 N ATOM 1226 CA SER B 30 -13.322 0.674 -4.566 1.00 0.00 C ATOM 1227 C SER B 30 -14.131 0.918 -3.295 1.00 0.00 C ATOM 1228 O SER B 30 -15.324 0.619 -3.238 1.00 0.00 O ATOM 1229 CB SER B 30 -12.634 -0.690 -4.495 1.00 0.00 C ATOM 1230 OG SER B 30 -11.775 -0.773 -3.370 1.00 0.00 O ATOM 0 H SER B 30 -11.377 1.457 -4.549 1.00 0.00 H new ATOM 0 HA SER B 30 -14.003 0.682 -5.417 1.00 0.00 H new ATOM 0 HB2 SER B 30 -13.386 -1.477 -4.441 1.00 0.00 H new ATOM 0 HB3 SER B 30 -12.061 -0.859 -5.407 1.00 0.00 H new ATOM 0 HG SER B 30 -11.499 0.128 -3.102 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.471 1.463 -2.278 1.00 0.00 N ATOM 1237 CA ILE B 31 -14.124 1.750 -1.005 1.00 0.00 C ATOM 1238 C ILE B 31 -15.053 2.953 -1.123 1.00 0.00 C ATOM 1239 O ILE B 31 -16.108 3.000 -0.490 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.085 2.013 0.102 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.768 2.316 1.435 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -12.167 3.161 -0.291 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.538 1.145 2.002 1.00 0.00 C ATOM 0 H ILE B 31 -12.483 1.715 -2.311 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.713 0.872 -0.739 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.487 1.110 0.223 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -13.014 2.628 2.157 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.448 3.157 1.302 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.440 3.333 0.502 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.645 2.910 -1.214 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.758 4.064 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -14.995 1.434 2.948 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.316 0.846 1.299 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.859 0.309 2.168 1.00 0.00 H new ATOM 1255 N LYS B 32 -14.658 3.922 -1.943 1.00 0.00 N ATOM 1256 CA LYS B 32 -15.462 5.121 -2.146 1.00 0.00 C ATOM 1257 C LYS B 32 -16.646 4.824 -3.060 1.00 0.00 C ATOM 1258 O LYS B 32 -17.728 5.388 -2.895 1.00 0.00 O ATOM 1259 CB LYS B 32 -14.608 6.241 -2.741 1.00 0.00 C ATOM 1260 CG LYS B 32 -13.688 6.907 -1.731 1.00 0.00 C ATOM 1261 CD LYS B 32 -14.477 7.637 -0.656 1.00 0.00 C ATOM 1262 CE LYS B 32 -13.652 8.743 -0.017 1.00 0.00 C ATOM 1263 NZ LYS B 32 -14.481 9.619 0.858 1.00 0.00 N ATOM 0 H LYS B 32 -13.789 3.900 -2.476 1.00 0.00 H new ATOM 0 HA LYS B 32 -15.842 5.446 -1.178 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -14.007 5.835 -3.555 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -15.264 6.995 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -13.049 6.155 -1.268 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -13.032 7.611 -2.243 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -15.382 8.061 -1.091 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -14.794 6.929 0.109 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -12.846 8.302 0.570 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -13.186 9.345 -0.797 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -13.882 10.360 1.275 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -15.235 10.060 0.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -14.905 9.049 1.617 1.00 0.00 H new ATOM 1277 N LYS B 33 -16.433 3.932 -4.021 1.00 0.00 N ATOM 1278 CA LYS B 33 -17.483 3.552 -4.957 1.00 0.00 C ATOM 1279 C LYS B 33 -18.513 2.663 -4.272 1.00 0.00 C ATOM 1280 O LYS B 33 -19.698 2.698 -4.605 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.884 2.827 -6.163 1.00 0.00 C ATOM 1282 CG LYS B 33 -16.432 3.762 -7.273 1.00 0.00 C ATOM 1283 CD LYS B 33 -15.460 3.075 -8.219 1.00 0.00 C ATOM 1284 CE LYS B 33 -15.993 3.047 -9.642 1.00 0.00 C ATOM 1285 NZ LYS B 33 -17.220 2.211 -9.759 1.00 0.00 N ATOM 0 H LYS B 33 -15.542 3.459 -4.172 1.00 0.00 H new ATOM 0 HA LYS B 33 -17.979 4.459 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -16.033 2.231 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.623 2.133 -6.563 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -17.300 4.111 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -15.958 4.642 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -14.502 3.595 -8.198 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -15.277 2.056 -7.878 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -16.214 4.064 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -15.224 2.659 -10.310 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -17.426 2.036 -10.763 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -17.070 1.304 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -18.022 2.709 -9.323 1.00 0.00 H new ATOM 1299 N LEU B 34 -18.052 1.872 -3.309 1.00 0.00 N ATOM 1300 CA LEU B 34 -18.933 0.977 -2.570 1.00 0.00 C ATOM 1301 C LEU B 34 -19.854 1.770 -1.651 1.00 0.00 C ATOM 1302 O LEU B 34 -21.045 1.478 -1.545 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.112 -0.021 -1.749 1.00 0.00 C ATOM 1304 CG LEU B 34 -18.549 -1.486 -1.862 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -20.067 -1.606 -1.859 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -17.966 -2.119 -3.115 1.00 0.00 C ATOM 0 H LEU B 34 -17.074 1.833 -3.023 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.542 0.428 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.069 0.054 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -18.157 0.274 -0.701 1.00 0.00 H new ATOM 0 HG LEU B 34 -18.168 -2.021 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -20.349 -2.656 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -20.463 -1.195 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -20.477 -1.054 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -18.286 -3.159 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -18.316 -1.576 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -16.878 -2.076 -3.072 1.00 0.00 H new ATOM 1318 N LYS B 35 -19.293 2.778 -0.988 1.00 0.00 N ATOM 1319 CA LYS B 35 -20.066 3.617 -0.079 1.00 0.00 C ATOM 1320 C LYS B 35 -21.128 4.404 -0.837 1.00 0.00 C ATOM 1321 O LYS B 35 -22.248 4.578 -0.355 1.00 0.00 O ATOM 1322 CB LYS B 35 -19.141 4.577 0.671 1.00 0.00 C ATOM 1323 CG LYS B 35 -19.468 4.705 2.151 1.00 0.00 C ATOM 1324 CD LYS B 35 -19.423 3.357 2.850 1.00 0.00 C ATOM 1325 CE LYS B 35 -18.606 3.421 4.131 1.00 0.00 C ATOM 1326 NZ LYS B 35 -19.407 3.932 5.276 1.00 0.00 N ATOM 0 H LYS B 35 -18.308 3.033 -1.063 1.00 0.00 H new ATOM 0 HA LYS B 35 -20.565 2.968 0.640 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -18.112 4.235 0.563 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -19.200 5.562 0.208 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -18.759 5.385 2.624 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -20.459 5.144 2.269 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -20.437 3.031 3.080 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -18.993 2.613 2.180 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -18.226 2.428 4.369 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -17.740 4.065 3.977 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -18.814 3.960 6.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -19.749 4.890 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -20.219 3.303 5.440 1.00 0.00 H new ATOM 1340 N GLN B 36 -20.771 4.877 -2.027 1.00 0.00 N ATOM 1341 CA GLN B 36 -21.697 5.645 -2.853 1.00 0.00 C ATOM 1342 C GLN B 36 -22.729 4.732 -3.506 1.00 0.00 C ATOM 1343 O GLN B 36 -23.833 5.162 -3.835 1.00 0.00 O ATOM 1344 CB GLN B 36 -20.932 6.422 -3.926 1.00 0.00 C ATOM 1345 CG GLN B 36 -21.834 7.147 -4.911 1.00 0.00 C ATOM 1346 CD GLN B 36 -21.216 8.430 -5.432 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -20.031 8.473 -5.760 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -22.019 9.485 -5.509 1.00 0.00 N ATOM 0 H GLN B 36 -19.848 4.742 -2.441 1.00 0.00 H new ATOM 0 HA GLN B 36 -22.221 6.351 -2.208 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -20.280 7.148 -3.441 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -20.290 5.732 -4.474 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -22.054 6.487 -5.750 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -22.784 7.376 -4.428 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -22.996 9.404 -5.226 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -21.659 10.376 -5.851 1.00 0.00 H new ATOM 1357 N SER B 37 -22.360 3.468 -3.691 1.00 0.00 N ATOM 1358 CA SER B 37 -23.253 2.494 -4.304 1.00 0.00 C ATOM 1359 C SER B 37 -24.268 1.974 -3.292 1.00 0.00 C ATOM 1360 O SER B 37 -25.358 1.534 -3.660 1.00 0.00 O ATOM 1361 CB SER B 37 -22.450 1.328 -4.885 1.00 0.00 C ATOM 1362 OG SER B 37 -22.256 1.487 -6.280 1.00 0.00 O ATOM 0 H SER B 37 -21.449 3.096 -3.425 1.00 0.00 H new ATOM 0 HA SER B 37 -23.793 2.991 -5.110 1.00 0.00 H new ATOM 0 HB2 SER B 37 -21.483 1.263 -4.385 1.00 0.00 H new ATOM 0 HB3 SER B 37 -22.972 0.391 -4.692 1.00 0.00 H new ATOM 0 HG SER B 37 -21.739 0.730 -6.627 1.00 0.00 H new ATOM 1368 N GLU B 38 -23.903 2.027 -2.015 1.00 0.00 N ATOM 1369 CA GLU B 38 -24.782 1.561 -0.949 1.00 0.00 C ATOM 1370 C GLU B 38 -25.883 2.579 -0.671 1.00 0.00 C ATOM 1371 O GLU B 38 -26.961 2.227 -0.191 1.00 0.00 O ATOM 1372 CB GLU B 38 -23.979 1.299 0.326 1.00 0.00 C ATOM 1373 CG GLU B 38 -24.158 -0.105 0.881 1.00 0.00 C ATOM 1374 CD GLU B 38 -23.332 -0.347 2.129 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -23.311 0.539 3.009 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -22.707 -1.423 2.228 1.00 0.00 O ATOM 0 H GLU B 38 -23.005 2.388 -1.694 1.00 0.00 H new ATOM 0 HA GLU B 38 -25.245 0.630 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.922 1.467 0.120 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -24.275 2.022 1.087 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -25.211 -0.270 1.109 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -23.879 -0.832 0.118 1.00 0.00 H new ATOM 1383 N ASP B 39 -25.605 3.842 -0.976 1.00 0.00 N ATOM 1384 CA ASP B 39 -26.573 4.911 -0.759 1.00 0.00 C ATOM 1385 C ASP B 39 -27.705 4.834 -1.778 1.00 0.00 C ATOM 1386 O ASP B 39 -28.829 5.256 -1.504 1.00 0.00 O ATOM 1387 CB ASP B 39 -25.886 6.275 -0.844 1.00 0.00 C ATOM 1388 CG ASP B 39 -26.423 7.257 0.180 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -27.584 7.093 0.608 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -25.681 8.191 0.551 1.00 0.00 O ATOM 0 H ASP B 39 -24.718 4.150 -1.374 1.00 0.00 H new ATOM 0 HA ASP B 39 -26.996 4.787 0.238 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -24.814 6.149 -0.695 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -26.023 6.686 -1.844 1.00 0.00 H new ATOM 1395 N ASP B 40 -27.401 4.295 -2.953 1.00 0.00 N ATOM 1396 CA ASP B 40 -28.394 4.163 -4.013 1.00 0.00 C ATOM 1397 C ASP B 40 -29.103 5.490 -4.262 1.00 0.00 C ATOM 1398 O ASP B 40 -30.159 5.757 -3.690 1.00 0.00 O ATOM 1399 CB ASP B 40 -29.416 3.084 -3.652 1.00 0.00 C ATOM 1400 CG ASP B 40 -28.834 1.686 -3.735 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -28.410 1.284 -4.839 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -28.804 0.993 -2.696 1.00 0.00 O ATOM 0 H ASP B 40 -26.475 3.942 -3.196 1.00 0.00 H new ATOM 0 HA ASP B 40 -27.877 3.871 -4.927 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -29.786 3.261 -2.642 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -30.272 3.159 -4.323 1.00 0.00 H new ATOM 1407 N ASP B 41 -28.516 6.318 -5.120 1.00 0.00 N ATOM 1408 CA ASP B 41 -29.092 7.618 -5.444 1.00 0.00 C ATOM 1409 C ASP B 41 -29.146 7.827 -6.954 1.00 0.00 C ATOM 1410 O ASP B 41 -30.089 8.496 -7.424 1.00 0.00 O ATOM 1411 CB ASP B 41 -28.279 8.737 -4.790 1.00 0.00 C ATOM 1412 CG ASP B 41 -26.787 8.474 -4.840 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -26.238 8.381 -5.959 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -26.167 8.361 -3.762 1.00 0.00 O ATOM 1415 OXT ASP B 41 -28.243 7.321 -7.653 1.00 0.00 O ATOM 0 H ASP B 41 -27.642 6.112 -5.603 1.00 0.00 H new ATOM 0 HA ASP B 41 -30.110 7.644 -5.055 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -28.496 9.680 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -28.591 8.849 -3.752 1.00 0.00 H new TER 1420 ASP B 41