USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 712 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 68 SER OG : rot -135:sc= 0.823 USER MOD Set 1.2: A 70 ASN : amide:sc= -0.879 K(o=-0.28,f=-0.88) USER MOD Set 1.3: A 75 HIS : no HD1:sc= -0.224 K(o=-0.28,f=-6.5!) USER MOD Set 2.1: A 3 HIS : no HD1:sc= 0 X(o=-0.15,f=-0.29) USER MOD Set 2.2: A 56 MET CE :methyl 136:sc= -0.148 (180deg=-0.988) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= -0.423 (180deg=-1.75!) USER MOD Single : A 4 LYS NZ :NH3+ -157:sc= -1.53! (180deg=-2.2!) USER MOD Single : A 6 LYS NZ :NH3+ -123:sc= 0.851 (180deg=-0.973!) USER MOD Single : A 7 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-4.4!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 12 MET CE :methyl 160:sc= -0.945 (180deg=-1.12) USER MOD Single : A 14 THR OG1 : rot 81:sc= 0.884 USER MOD Single : A 15 SER OG : rot -98:sc= 1.19 USER MOD Single : A 24 SER OG : rot 180:sc= 0.041 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -113:sc= -1.18 (180deg=-3.35!) USER MOD Single : A 39 ASN :FLIP amide:sc= -1.27! C(o=-4!,f=-1.3!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.5) USER MOD Single : A 50 HIS : no HD1:sc= -0.606 K(o=-0.61,f=-1.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0199 K(o=-0.02,f=-1.6!) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= -0.0894 (180deg=-0.545) USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= -0.174 (180deg=-0.79) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 66 GLN : amide:sc= -2.8! C(o=-2.8!,f=-4.1!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= -0.0367 (180deg=-0.484) USER MOD Single : A 76 SER OG : rot -130:sc= -1.81 USER MOD Single : A 82 HIS : no HE2:sc= 0.681 K(o=0.68,f=-3.8!) USER MOD Single : A 87 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-6.1!) USER MOD Single : A 88 HIS : no HD1:sc=-0.000648 X(o=-0.00065,f=-0.31) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.417 -14.892 16.467 1.00 0.00 N ATOM 2 CA MET A 1 -2.465 -13.852 16.668 1.00 0.00 C ATOM 3 C MET A 1 -2.619 -13.033 15.376 1.00 0.00 C ATOM 4 O MET A 1 -2.184 -11.902 15.303 1.00 0.00 O ATOM 5 CB MET A 1 -2.052 -12.930 17.825 1.00 0.00 C ATOM 6 CG MET A 1 -3.224 -12.027 18.229 1.00 0.00 C ATOM 7 SD MET A 1 -4.494 -13.018 19.054 1.00 0.00 S ATOM 8 CE MET A 1 -5.630 -11.660 19.430 1.00 0.00 C ATOM 0 H1 MET A 1 -1.759 -15.804 16.831 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.206 -14.981 15.453 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.553 -14.618 16.978 1.00 0.00 H new ATOM 0 HA MET A 1 -3.416 -14.326 16.910 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.733 -13.527 18.679 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.200 -12.320 17.526 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.876 -11.237 18.894 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.643 -11.541 17.348 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.504 -12.051 19.951 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.127 -10.929 20.063 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.944 -11.181 18.503 1.00 0.00 H new ATOM 20 N PRO A 2 -3.234 -13.599 14.362 1.00 0.00 N ATOM 21 CA PRO A 2 -3.440 -12.899 13.055 1.00 0.00 C ATOM 22 C PRO A 2 -4.288 -11.625 13.211 1.00 0.00 C ATOM 23 O PRO A 2 -5.196 -11.568 14.018 1.00 0.00 O ATOM 24 CB PRO A 2 -4.163 -13.954 12.174 1.00 0.00 C ATOM 25 CG PRO A 2 -3.884 -15.272 12.839 1.00 0.00 C ATOM 26 CD PRO A 2 -3.798 -14.962 14.335 1.00 0.00 C ATOM 0 HA PRO A 2 -2.501 -12.558 12.620 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.234 -13.757 12.121 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.786 -13.940 11.152 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.676 -15.992 12.632 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.954 -15.707 12.474 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.777 -15.003 14.812 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.159 -15.673 14.858 1.00 0.00 H new ATOM 34 N HIS A 3 -4.000 -10.608 12.445 1.00 0.00 N ATOM 35 CA HIS A 3 -4.790 -9.342 12.550 1.00 0.00 C ATOM 36 C HIS A 3 -6.158 -9.540 11.889 1.00 0.00 C ATOM 37 O HIS A 3 -7.161 -9.729 12.550 1.00 0.00 O ATOM 38 CB HIS A 3 -4.039 -8.212 11.828 1.00 0.00 C ATOM 39 CG HIS A 3 -2.793 -7.855 12.592 1.00 0.00 C ATOM 40 ND1 HIS A 3 -1.618 -8.579 12.469 1.00 0.00 N ATOM 41 CD2 HIS A 3 -2.525 -6.851 13.486 1.00 0.00 C ATOM 42 CE1 HIS A 3 -0.704 -8.004 13.272 1.00 0.00 C ATOM 43 NE2 HIS A 3 -1.204 -6.946 13.916 1.00 0.00 N ATOM 0 H HIS A 3 -3.253 -10.596 11.751 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.924 -9.082 13.600 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.779 -8.525 10.817 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.682 -7.337 11.735 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.231 -6.100 13.808 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.311 -8.356 13.382 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -0.722 -6.339 14.579 1.00 0.00 H new ATOM 51 N LYS A 4 -6.201 -9.481 10.586 1.00 0.00 N ATOM 52 CA LYS A 4 -7.494 -9.648 9.868 1.00 0.00 C ATOM 53 C LYS A 4 -8.036 -11.062 10.080 1.00 0.00 C ATOM 54 O LYS A 4 -9.215 -11.246 10.301 1.00 0.00 O ATOM 55 CB LYS A 4 -7.275 -9.407 8.369 1.00 0.00 C ATOM 56 CG LYS A 4 -6.936 -7.933 8.134 1.00 0.00 C ATOM 57 CD LYS A 4 -6.677 -7.698 6.645 1.00 0.00 C ATOM 58 CE LYS A 4 -6.307 -6.231 6.419 1.00 0.00 C ATOM 59 NZ LYS A 4 -7.479 -5.370 6.743 1.00 0.00 N ATOM 0 H LYS A 4 -5.391 -9.323 9.986 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.214 -8.929 10.259 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.467 -10.040 8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.171 -9.679 7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.757 -7.302 8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.057 -7.654 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.871 -8.345 6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.564 -7.954 6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.457 -5.958 7.045 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.003 -6.076 5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.390 -4.461 6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.353 -5.846 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.513 -5.201 7.769 1.00 0.00 H new ATOM 73 N GLU A 5 -7.187 -12.057 9.987 1.00 0.00 N ATOM 74 CA GLU A 5 -7.630 -13.480 10.160 1.00 0.00 C ATOM 75 C GLU A 5 -8.652 -13.852 9.065 1.00 0.00 C ATOM 76 O GLU A 5 -8.885 -15.013 8.794 1.00 0.00 O ATOM 77 CB GLU A 5 -8.249 -13.675 11.558 1.00 0.00 C ATOM 78 CG GLU A 5 -8.468 -15.168 11.822 1.00 0.00 C ATOM 79 CD GLU A 5 -9.017 -15.371 13.238 1.00 0.00 C ATOM 80 OE1 GLU A 5 -9.435 -14.395 13.840 1.00 0.00 O ATOM 81 OE2 GLU A 5 -9.015 -16.502 13.696 1.00 0.00 O ATOM 0 H GLU A 5 -6.192 -11.943 9.796 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.764 -14.135 10.067 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.592 -13.254 12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.197 -13.141 11.624 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.164 -15.577 11.090 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.529 -15.709 11.706 1.00 0.00 H new ATOM 88 N LYS A 6 -9.261 -12.878 8.436 1.00 0.00 N ATOM 89 CA LYS A 6 -10.257 -13.165 7.365 1.00 0.00 C ATOM 90 C LYS A 6 -9.573 -13.825 6.163 1.00 0.00 C ATOM 91 O LYS A 6 -10.077 -14.774 5.596 1.00 0.00 O ATOM 92 CB LYS A 6 -10.903 -11.847 6.928 1.00 0.00 C ATOM 93 CG LYS A 6 -12.020 -12.122 5.917 1.00 0.00 C ATOM 94 CD LYS A 6 -12.794 -10.824 5.617 1.00 0.00 C ATOM 95 CE LYS A 6 -11.903 -9.812 4.869 1.00 0.00 C ATOM 96 NZ LYS A 6 -12.757 -8.764 4.243 1.00 0.00 N ATOM 0 H LYS A 6 -9.107 -11.887 8.623 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.016 -13.847 7.750 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.307 -11.325 7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.152 -11.194 6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.597 -12.523 4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.700 -12.877 6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.675 -11.052 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.148 -10.383 6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.195 -9.354 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.317 -10.323 4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.577 -8.736 3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.759 -8.986 4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.532 -7.838 4.660 1.00 0.00 H new ATOM 110 N HIS A 7 -8.428 -13.326 5.761 1.00 0.00 N ATOM 111 CA HIS A 7 -7.714 -13.921 4.585 1.00 0.00 C ATOM 112 C HIS A 7 -6.211 -13.569 4.675 1.00 0.00 C ATOM 113 O HIS A 7 -5.851 -12.572 5.270 1.00 0.00 O ATOM 114 CB HIS A 7 -8.313 -13.329 3.292 1.00 0.00 C ATOM 115 CG HIS A 7 -9.648 -13.971 3.000 1.00 0.00 C ATOM 116 ND1 HIS A 7 -9.859 -15.335 3.151 1.00 0.00 N ATOM 117 CD2 HIS A 7 -10.842 -13.454 2.562 1.00 0.00 C ATOM 118 CE1 HIS A 7 -11.134 -15.587 2.808 1.00 0.00 C ATOM 119 NE2 HIS A 7 -11.779 -14.476 2.442 1.00 0.00 N ATOM 0 H HIS A 7 -7.957 -12.533 6.196 1.00 0.00 H new ATOM 0 HA HIS A 7 -7.830 -15.005 4.580 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.434 -12.251 3.398 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -7.631 -13.493 2.457 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.026 -12.412 2.344 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -11.583 -16.569 2.826 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -12.750 -14.394 2.140 1.00 0.00 H new ATOM 127 N PRO A 8 -5.332 -14.369 4.093 1.00 0.00 N ATOM 128 CA PRO A 8 -3.866 -14.083 4.135 1.00 0.00 C ATOM 129 C PRO A 8 -3.548 -12.607 3.837 1.00 0.00 C ATOM 130 O PRO A 8 -4.116 -12.000 2.949 1.00 0.00 O ATOM 131 CB PRO A 8 -3.268 -14.999 3.039 1.00 0.00 C ATOM 132 CG PRO A 8 -4.256 -16.122 2.851 1.00 0.00 C ATOM 133 CD PRO A 8 -5.628 -15.620 3.357 1.00 0.00 C ATOM 0 HA PRO A 8 -3.452 -14.271 5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.120 -14.450 2.109 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.294 -15.383 3.341 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.316 -16.409 1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.942 -17.006 3.406 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.312 -15.438 2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.103 -16.356 4.005 1.00 0.00 H new ATOM 141 N LEU A 9 -2.636 -12.038 4.576 1.00 0.00 N ATOM 142 CA LEU A 9 -2.269 -10.614 4.346 1.00 0.00 C ATOM 143 C LEU A 9 -1.660 -10.471 2.947 1.00 0.00 C ATOM 144 O LEU A 9 -1.935 -9.527 2.233 1.00 0.00 O ATOM 145 CB LEU A 9 -1.241 -10.174 5.398 1.00 0.00 C ATOM 146 CG LEU A 9 -1.739 -10.518 6.809 1.00 0.00 C ATOM 147 CD1 LEU A 9 -0.668 -10.108 7.828 1.00 0.00 C ATOM 148 CD2 LEU A 9 -3.058 -9.776 7.115 1.00 0.00 C ATOM 0 H LEU A 9 -2.128 -12.500 5.331 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.158 -9.989 4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.287 -10.667 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.066 -9.101 5.319 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.925 -11.590 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.012 -10.348 8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.256 -10.648 7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.486 -9.036 7.753 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.395 -10.033 8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.894 -8.700 7.051 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.818 -10.071 6.391 1.00 0.00 H new ATOM 160 N GLN A 10 -0.839 -11.406 2.554 1.00 0.00 N ATOM 161 CA GLN A 10 -0.209 -11.332 1.204 1.00 0.00 C ATOM 162 C GLN A 10 -1.311 -11.291 0.143 1.00 0.00 C ATOM 163 O GLN A 10 -1.209 -10.592 -0.845 1.00 0.00 O ATOM 164 CB GLN A 10 0.675 -12.564 0.988 1.00 0.00 C ATOM 165 CG GLN A 10 1.443 -12.426 -0.330 1.00 0.00 C ATOM 166 CD GLN A 10 2.388 -13.617 -0.498 1.00 0.00 C ATOM 167 OE1 GLN A 10 2.005 -14.749 -0.271 1.00 0.00 O ATOM 168 NE2 GLN A 10 3.617 -13.411 -0.887 1.00 0.00 N ATOM 0 H GLN A 10 -0.576 -12.220 3.110 1.00 0.00 H new ATOM 0 HA GLN A 10 0.405 -10.434 1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.374 -12.671 1.817 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.061 -13.465 0.970 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.746 -12.381 -1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.010 -11.495 -0.337 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.939 -12.462 -1.078 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.255 -14.199 -1.000 1.00 0.00 H new ATOM 177 N ASP A 11 -2.365 -12.032 0.343 1.00 0.00 N ATOM 178 CA ASP A 11 -3.472 -12.030 -0.650 1.00 0.00 C ATOM 179 C ASP A 11 -4.061 -10.621 -0.750 1.00 0.00 C ATOM 180 O ASP A 11 -4.354 -10.138 -1.825 1.00 0.00 O ATOM 181 CB ASP A 11 -4.561 -13.007 -0.199 1.00 0.00 C ATOM 182 CG ASP A 11 -5.631 -13.120 -1.286 1.00 0.00 C ATOM 183 OD1 ASP A 11 -5.297 -13.566 -2.371 1.00 0.00 O ATOM 184 OD2 ASP A 11 -6.764 -12.758 -1.015 1.00 0.00 O ATOM 0 H ASP A 11 -2.507 -12.638 1.151 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.090 -12.335 -1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.125 -13.986 -0.000 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.010 -12.662 0.733 1.00 0.00 H new ATOM 189 N MET A 12 -4.239 -9.955 0.362 1.00 0.00 N ATOM 190 CA MET A 12 -4.812 -8.578 0.316 1.00 0.00 C ATOM 191 C MET A 12 -3.853 -7.654 -0.447 1.00 0.00 C ATOM 192 O MET A 12 -4.264 -6.872 -1.279 1.00 0.00 O ATOM 193 CB MET A 12 -4.992 -8.060 1.756 1.00 0.00 C ATOM 194 CG MET A 12 -6.186 -8.752 2.428 1.00 0.00 C ATOM 195 SD MET A 12 -7.738 -8.181 1.678 1.00 0.00 S ATOM 196 CE MET A 12 -8.144 -6.885 2.879 1.00 0.00 C ATOM 0 H MET A 12 -4.014 -10.303 1.294 1.00 0.00 H new ATOM 0 HA MET A 12 -5.777 -8.595 -0.191 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.085 -8.245 2.332 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.148 -6.981 1.744 1.00 0.00 H new ATOM 0 HG2 MET A 12 -6.097 -9.833 2.321 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.188 -8.536 3.496 1.00 0.00 H new ATOM 0 HE1 MET A 12 -8.849 -6.184 2.433 1.00 0.00 H new ATOM 0 HE2 MET A 12 -8.592 -7.337 3.764 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.235 -6.354 3.163 1.00 0.00 H new ATOM 206 N PHE A 13 -2.578 -7.736 -0.166 1.00 0.00 N ATOM 207 CA PHE A 13 -1.602 -6.856 -0.876 1.00 0.00 C ATOM 208 C PHE A 13 -1.485 -7.277 -2.344 1.00 0.00 C ATOM 209 O PHE A 13 -1.467 -6.451 -3.234 1.00 0.00 O ATOM 210 CB PHE A 13 -0.223 -6.960 -0.206 1.00 0.00 C ATOM 211 CG PHE A 13 -0.272 -6.333 1.179 1.00 0.00 C ATOM 212 CD1 PHE A 13 -0.468 -4.953 1.305 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.107 -7.121 2.331 1.00 0.00 C ATOM 214 CE1 PHE A 13 -0.502 -4.360 2.571 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.142 -6.526 3.598 1.00 0.00 C ATOM 216 CZ PHE A 13 -0.341 -5.147 3.717 1.00 0.00 C ATOM 0 H PHE A 13 -2.172 -8.371 0.521 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.956 -5.826 -0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.077 -8.005 -0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.527 -6.456 -0.816 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.593 -4.344 0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.047 -8.186 2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.653 -3.295 2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.015 -7.132 4.483 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.370 -4.689 4.694 1.00 0.00 H new ATOM 226 N THR A 14 -1.393 -8.553 -2.607 1.00 0.00 N ATOM 227 CA THR A 14 -1.262 -9.015 -4.018 1.00 0.00 C ATOM 228 C THR A 14 -2.507 -8.627 -4.819 1.00 0.00 C ATOM 229 O THR A 14 -2.414 -8.125 -5.921 1.00 0.00 O ATOM 230 CB THR A 14 -1.095 -10.538 -4.038 1.00 0.00 C ATOM 231 OG1 THR A 14 -0.044 -10.907 -3.156 1.00 0.00 O ATOM 232 CG2 THR A 14 -0.761 -11.006 -5.457 1.00 0.00 C ATOM 0 H THR A 14 -1.403 -9.294 -1.906 1.00 0.00 H new ATOM 0 HA THR A 14 -0.390 -8.541 -4.469 1.00 0.00 H new ATOM 0 HB THR A 14 -2.025 -11.007 -3.717 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.380 -10.923 -2.236 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.643 -12.090 -5.465 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.568 -10.724 -6.133 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.167 -10.538 -5.785 1.00 0.00 H new ATOM 240 N SER A 15 -3.669 -8.861 -4.278 1.00 0.00 N ATOM 241 CA SER A 15 -4.915 -8.516 -5.016 1.00 0.00 C ATOM 242 C SER A 15 -5.048 -6.999 -5.147 1.00 0.00 C ATOM 243 O SER A 15 -5.481 -6.493 -6.162 1.00 0.00 O ATOM 244 CB SER A 15 -6.125 -9.057 -4.255 1.00 0.00 C ATOM 245 OG SER A 15 -6.147 -8.498 -2.948 1.00 0.00 O ATOM 0 H SER A 15 -3.810 -9.276 -3.357 1.00 0.00 H new ATOM 0 HA SER A 15 -4.869 -8.961 -6.010 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.044 -8.807 -4.785 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.076 -10.144 -4.197 1.00 0.00 H new ATOM 0 HG SER A 15 -5.752 -9.133 -2.314 1.00 0.00 H new ATOM 251 N ALA A 16 -4.697 -6.265 -4.125 1.00 0.00 N ATOM 252 CA ALA A 16 -4.827 -4.780 -4.191 1.00 0.00 C ATOM 253 C ALA A 16 -3.721 -4.174 -5.053 1.00 0.00 C ATOM 254 O ALA A 16 -3.976 -3.358 -5.912 1.00 0.00 O ATOM 255 CB ALA A 16 -4.730 -4.204 -2.779 1.00 0.00 C ATOM 0 H ALA A 16 -4.326 -6.629 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.791 -4.536 -4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.824 -3.119 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.530 -4.614 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.766 -4.468 -2.344 1.00 0.00 H new ATOM 261 N ILE A 17 -2.493 -4.548 -4.824 1.00 0.00 N ATOM 262 CA ILE A 17 -1.381 -3.961 -5.623 1.00 0.00 C ATOM 263 C ILE A 17 -1.571 -4.322 -7.098 1.00 0.00 C ATOM 264 O ILE A 17 -1.432 -3.490 -7.968 1.00 0.00 O ATOM 265 CB ILE A 17 -0.045 -4.528 -5.106 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.197 -4.018 -3.671 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.115 -4.072 -6.017 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.354 -4.793 -3.031 1.00 0.00 C ATOM 0 H ILE A 17 -2.212 -5.232 -4.121 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.377 -2.876 -5.523 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.090 -5.617 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.427 -2.953 -3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.707 -4.140 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.054 -4.479 -5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.944 -4.431 -7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.167 -2.983 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.520 -4.428 -2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.107 -5.854 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.259 -4.649 -3.621 1.00 0.00 H new ATOM 280 N GLU A 18 -1.889 -5.552 -7.381 1.00 0.00 N ATOM 281 CA GLU A 18 -2.082 -5.969 -8.795 1.00 0.00 C ATOM 282 C GLU A 18 -3.318 -5.273 -9.375 1.00 0.00 C ATOM 283 O GLU A 18 -3.384 -4.989 -10.555 1.00 0.00 O ATOM 284 CB GLU A 18 -2.265 -7.493 -8.843 1.00 0.00 C ATOM 285 CG GLU A 18 -2.220 -7.990 -10.296 1.00 0.00 C ATOM 286 CD GLU A 18 -0.793 -7.873 -10.850 1.00 0.00 C ATOM 287 OE1 GLU A 18 0.104 -7.578 -10.077 1.00 0.00 O ATOM 288 OE2 GLU A 18 -0.625 -8.090 -12.038 1.00 0.00 O ATOM 0 H GLU A 18 -2.024 -6.290 -6.690 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.211 -5.687 -9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.482 -7.979 -8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.217 -7.766 -8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.553 -9.027 -10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.906 -7.406 -10.910 1.00 0.00 H new ATOM 295 N ALA A 19 -4.306 -5.007 -8.563 1.00 0.00 N ATOM 296 CA ALA A 19 -5.538 -4.344 -9.082 1.00 0.00 C ATOM 297 C ALA A 19 -5.210 -2.936 -9.591 1.00 0.00 C ATOM 298 O ALA A 19 -5.718 -2.513 -10.612 1.00 0.00 O ATOM 299 CB ALA A 19 -6.575 -4.253 -7.962 1.00 0.00 C ATOM 0 H ALA A 19 -4.314 -5.219 -7.565 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.937 -4.933 -9.908 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.476 -3.769 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.821 -5.255 -7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.168 -3.670 -7.136 1.00 0.00 H new ATOM 305 N VAL A 20 -4.366 -2.205 -8.887 1.00 0.00 N ATOM 306 CA VAL A 20 -3.995 -0.808 -9.317 1.00 0.00 C ATOM 307 C VAL A 20 -2.483 -0.734 -9.581 1.00 0.00 C ATOM 308 O VAL A 20 -1.890 0.327 -9.513 1.00 0.00 O ATOM 309 CB VAL A 20 -4.381 0.197 -8.212 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.909 0.291 -8.109 1.00 0.00 C ATOM 311 CG2 VAL A 20 -3.810 -0.249 -6.857 1.00 0.00 C ATOM 0 H VAL A 20 -3.915 -2.519 -8.027 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.533 -0.558 -10.232 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.967 1.172 -8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.178 1.002 -7.328 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.318 0.627 -9.062 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.318 -0.689 -7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.092 0.471 -6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.209 -1.230 -6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.723 -0.305 -6.921 1.00 0.00 H new ATOM 321 N ALA A 21 -1.850 -1.840 -9.880 1.00 0.00 N ATOM 322 CA ALA A 21 -0.378 -1.815 -10.143 1.00 0.00 C ATOM 323 C ALA A 21 -0.087 -0.872 -11.316 1.00 0.00 C ATOM 324 O ALA A 21 0.940 -0.225 -11.360 1.00 0.00 O ATOM 325 CB ALA A 21 0.111 -3.238 -10.487 1.00 0.00 C ATOM 0 H ALA A 21 -2.288 -2.758 -9.953 1.00 0.00 H new ATOM 0 HA ALA A 21 0.145 -1.461 -9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.184 -3.218 -10.678 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.096 -3.906 -9.651 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.409 -3.597 -11.375 1.00 0.00 H new ATOM 331 N ARG A 22 -0.981 -0.796 -12.267 1.00 0.00 N ATOM 332 CA ARG A 22 -0.764 0.105 -13.439 1.00 0.00 C ATOM 333 C ARG A 22 0.612 -0.158 -14.072 1.00 0.00 C ATOM 334 O ARG A 22 1.610 0.367 -13.629 1.00 0.00 O ATOM 335 CB ARG A 22 -0.834 1.574 -12.981 1.00 0.00 C ATOM 336 CG ARG A 22 -2.274 1.946 -12.578 1.00 0.00 C ATOM 337 CD ARG A 22 -2.363 3.447 -12.154 1.00 0.00 C ATOM 338 NE ARG A 22 -2.417 3.574 -10.649 1.00 0.00 N ATOM 339 CZ ARG A 22 -1.825 4.579 -10.010 1.00 0.00 C ATOM 340 NH1 ARG A 22 -0.925 5.328 -10.605 1.00 0.00 N ATOM 341 NH2 ARG A 22 -2.096 4.804 -8.752 1.00 0.00 N ATOM 0 H ARG A 22 -1.855 -1.321 -12.283 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.541 -0.093 -14.178 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.162 1.730 -12.137 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.494 2.228 -13.784 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.950 1.759 -13.413 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.601 1.311 -11.755 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.500 3.991 -12.539 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.250 3.903 -12.595 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.921 2.870 -10.109 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.668 5.144 -11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.483 6.094 -10.097 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.762 4.209 -8.259 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.642 5.575 -8.262 1.00 0.00 H new ATOM 355 N ASP A 23 0.663 -0.946 -15.122 1.00 0.00 N ATOM 356 CA ASP A 23 1.965 -1.227 -15.811 1.00 0.00 C ATOM 357 C ASP A 23 3.027 -1.679 -14.799 1.00 0.00 C ATOM 358 O ASP A 23 3.267 -2.858 -14.626 1.00 0.00 O ATOM 359 CB ASP A 23 2.437 0.048 -16.526 1.00 0.00 C ATOM 360 CG ASP A 23 1.496 0.364 -17.695 1.00 0.00 C ATOM 361 OD1 ASP A 23 0.728 -0.509 -18.070 1.00 0.00 O ATOM 362 OD2 ASP A 23 1.557 1.476 -18.194 1.00 0.00 O ATOM 0 H ASP A 23 -0.147 -1.409 -15.534 1.00 0.00 H new ATOM 0 HA ASP A 23 1.820 -2.029 -16.535 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.456 0.883 -15.826 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.455 -0.084 -16.892 1.00 0.00 H new ATOM 367 N SER A 24 3.667 -0.754 -14.135 1.00 0.00 N ATOM 368 CA SER A 24 4.712 -1.126 -13.143 1.00 0.00 C ATOM 369 C SER A 24 4.071 -1.886 -11.982 1.00 0.00 C ATOM 370 O SER A 24 2.887 -1.777 -11.731 1.00 0.00 O ATOM 371 CB SER A 24 5.377 0.151 -12.613 1.00 0.00 C ATOM 372 OG SER A 24 4.581 0.700 -11.569 1.00 0.00 O ATOM 0 H SER A 24 3.509 0.248 -14.239 1.00 0.00 H new ATOM 0 HA SER A 24 5.459 -1.761 -13.619 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.377 -0.073 -12.243 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.490 0.876 -13.419 1.00 0.00 H new ATOM 0 HG SER A 24 5.005 1.515 -11.228 1.00 0.00 H new ATOM 378 N GLY A 25 4.852 -2.655 -11.271 1.00 0.00 N ATOM 379 CA GLY A 25 4.312 -3.437 -10.117 1.00 0.00 C ATOM 380 C GLY A 25 4.180 -2.529 -8.894 1.00 0.00 C ATOM 381 O GLY A 25 3.792 -2.961 -7.827 1.00 0.00 O ATOM 0 H GLY A 25 5.850 -2.777 -11.441 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.341 -3.859 -10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.973 -4.273 -9.891 1.00 0.00 H new ATOM 385 N TRP A 26 4.502 -1.266 -9.036 1.00 0.00 N ATOM 386 CA TRP A 26 4.396 -0.323 -7.878 1.00 0.00 C ATOM 387 C TRP A 26 2.964 0.205 -7.787 1.00 0.00 C ATOM 388 O TRP A 26 2.280 0.348 -8.780 1.00 0.00 O ATOM 389 CB TRP A 26 5.354 0.855 -8.088 1.00 0.00 C ATOM 390 CG TRP A 26 6.770 0.368 -8.044 1.00 0.00 C ATOM 391 CD1 TRP A 26 7.600 0.281 -9.111 1.00 0.00 C ATOM 392 CD2 TRP A 26 7.535 -0.102 -6.895 1.00 0.00 C ATOM 393 NE1 TRP A 26 8.822 -0.210 -8.689 1.00 0.00 N ATOM 394 CE2 TRP A 26 8.832 -0.462 -7.332 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.232 -0.247 -5.530 1.00 0.00 C ATOM 396 CZ2 TRP A 26 9.794 -0.950 -6.447 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.198 -0.738 -4.635 1.00 0.00 C ATOM 398 CH2 TRP A 26 9.475 -1.089 -5.094 1.00 0.00 C ATOM 0 H TRP A 26 4.834 -0.847 -9.905 1.00 0.00 H new ATOM 0 HA TRP A 26 4.656 -0.846 -6.958 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.153 1.333 -9.047 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.194 1.608 -7.317 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.348 0.551 -10.126 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.619 -0.367 -9.306 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.251 0.021 -5.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.777 -1.218 -6.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.955 -0.845 -3.588 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.213 -1.467 -4.402 1.00 0.00 H new ATOM 409 N ALA A 27 2.505 0.497 -6.595 1.00 0.00 N ATOM 410 CA ALA A 27 1.112 1.020 -6.414 1.00 0.00 C ATOM 411 C ALA A 27 1.102 2.023 -5.259 1.00 0.00 C ATOM 412 O ALA A 27 1.825 1.880 -4.293 1.00 0.00 O ATOM 413 CB ALA A 27 0.176 -0.147 -6.087 1.00 0.00 C ATOM 0 H ALA A 27 3.039 0.395 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 27 0.776 1.511 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.839 0.227 -5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.193 -0.867 -6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.507 -0.633 -5.169 1.00 0.00 H new ATOM 419 N GLU A 28 0.286 3.040 -5.351 1.00 0.00 N ATOM 420 CA GLU A 28 0.230 4.054 -4.261 1.00 0.00 C ATOM 421 C GLU A 28 -0.392 3.426 -3.010 1.00 0.00 C ATOM 422 O GLU A 28 -1.404 2.756 -3.078 1.00 0.00 O ATOM 423 CB GLU A 28 -0.622 5.244 -4.714 1.00 0.00 C ATOM 424 CG GLU A 28 0.098 5.988 -5.845 1.00 0.00 C ATOM 425 CD GLU A 28 -0.792 7.118 -6.374 1.00 0.00 C ATOM 426 OE1 GLU A 28 -1.892 7.277 -5.867 1.00 0.00 O ATOM 427 OE2 GLU A 28 -0.356 7.808 -7.280 1.00 0.00 O ATOM 0 H GLU A 28 -0.344 3.211 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 28 1.239 4.397 -4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.597 4.897 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.799 5.918 -3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.041 6.396 -5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.340 5.296 -6.651 1.00 0.00 H new ATOM 434 N LEU A 29 0.225 3.616 -1.874 1.00 0.00 N ATOM 435 CA LEU A 29 -0.304 3.010 -0.617 1.00 0.00 C ATOM 436 C LEU A 29 -1.751 3.472 -0.402 1.00 0.00 C ATOM 437 O LEU A 29 -2.597 2.708 0.012 1.00 0.00 O ATOM 438 CB LEU A 29 0.570 3.468 0.566 1.00 0.00 C ATOM 439 CG LEU A 29 0.194 2.712 1.860 1.00 0.00 C ATOM 440 CD1 LEU A 29 0.561 1.210 1.748 1.00 0.00 C ATOM 441 CD2 LEU A 29 0.950 3.343 3.041 1.00 0.00 C ATOM 0 H LEU A 29 1.076 4.167 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.281 1.923 -0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.621 3.297 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.448 4.540 0.719 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.882 2.789 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.287 0.699 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.021 0.765 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.634 1.109 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.692 2.817 3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.024 3.267 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.671 4.393 3.133 1.00 0.00 H new ATOM 453 N SER A 30 -2.041 4.716 -0.679 1.00 0.00 N ATOM 454 CA SER A 30 -3.436 5.212 -0.489 1.00 0.00 C ATOM 455 C SER A 30 -4.392 4.374 -1.346 1.00 0.00 C ATOM 456 O SER A 30 -5.454 3.982 -0.904 1.00 0.00 O ATOM 457 CB SER A 30 -3.521 6.677 -0.923 1.00 0.00 C ATOM 458 OG SER A 30 -2.653 7.460 -0.115 1.00 0.00 O ATOM 0 H SER A 30 -1.376 5.407 -1.027 1.00 0.00 H new ATOM 0 HA SER A 30 -3.713 5.127 0.562 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.244 6.773 -1.973 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.546 7.037 -0.829 1.00 0.00 H new ATOM 0 HG SER A 30 -2.705 8.398 -0.393 1.00 0.00 H new ATOM 464 N ALA A 31 -4.026 4.105 -2.572 1.00 0.00 N ATOM 465 CA ALA A 31 -4.916 3.300 -3.458 1.00 0.00 C ATOM 466 C ALA A 31 -5.123 1.909 -2.851 1.00 0.00 C ATOM 467 O ALA A 31 -6.190 1.334 -2.944 1.00 0.00 O ATOM 468 CB ALA A 31 -4.271 3.153 -4.840 1.00 0.00 C ATOM 0 H ALA A 31 -3.150 4.408 -2.997 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.877 3.806 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.923 2.564 -5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.121 4.140 -5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.309 2.650 -4.741 1.00 0.00 H new ATOM 474 N VAL A 32 -4.110 1.361 -2.236 1.00 0.00 N ATOM 475 CA VAL A 32 -4.249 0.008 -1.630 1.00 0.00 C ATOM 476 C VAL A 32 -5.315 0.053 -0.527 1.00 0.00 C ATOM 477 O VAL A 32 -6.191 -0.785 -0.465 1.00 0.00 O ATOM 478 CB VAL A 32 -2.895 -0.409 -1.034 1.00 0.00 C ATOM 479 CG1 VAL A 32 -3.022 -1.765 -0.320 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.857 -0.511 -2.161 1.00 0.00 C ATOM 0 H VAL A 32 -3.192 1.793 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.552 -0.714 -2.388 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.577 0.339 -0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.056 -2.048 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.755 -1.686 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.345 -2.523 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.894 -0.807 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.181 -1.256 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.757 0.457 -2.653 1.00 0.00 H new ATOM 490 N GLY A 33 -5.238 1.017 0.348 1.00 0.00 N ATOM 491 CA GLY A 33 -6.241 1.105 1.449 1.00 0.00 C ATOM 492 C GLY A 33 -7.637 1.328 0.864 1.00 0.00 C ATOM 493 O GLY A 33 -8.582 0.655 1.224 1.00 0.00 O ATOM 0 H GLY A 33 -4.526 1.747 0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.227 0.189 2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.984 1.923 2.122 1.00 0.00 H new ATOM 497 N SER A 34 -7.780 2.269 -0.031 1.00 0.00 N ATOM 498 CA SER A 34 -9.122 2.529 -0.626 1.00 0.00 C ATOM 499 C SER A 34 -9.603 1.287 -1.379 1.00 0.00 C ATOM 500 O SER A 34 -10.742 0.882 -1.261 1.00 0.00 O ATOM 501 CB SER A 34 -9.028 3.705 -1.598 1.00 0.00 C ATOM 502 OG SER A 34 -10.221 3.771 -2.369 1.00 0.00 O ATOM 0 H SER A 34 -7.028 2.867 -0.374 1.00 0.00 H new ATOM 0 HA SER A 34 -9.828 2.766 0.170 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.884 4.635 -1.049 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.164 3.584 -2.252 1.00 0.00 H new ATOM 0 HG SER A 34 -10.166 4.525 -2.993 1.00 0.00 H new ATOM 508 N TYR A 35 -8.746 0.685 -2.158 1.00 0.00 N ATOM 509 CA TYR A 35 -9.162 -0.524 -2.924 1.00 0.00 C ATOM 510 C TYR A 35 -9.607 -1.614 -1.946 1.00 0.00 C ATOM 511 O TYR A 35 -10.655 -2.208 -2.097 1.00 0.00 O ATOM 512 CB TYR A 35 -7.976 -1.030 -3.749 1.00 0.00 C ATOM 513 CG TYR A 35 -8.390 -2.257 -4.539 1.00 0.00 C ATOM 514 CD1 TYR A 35 -8.987 -2.107 -5.798 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.172 -3.541 -4.020 1.00 0.00 C ATOM 516 CE1 TYR A 35 -9.364 -3.238 -6.534 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.547 -4.670 -4.758 1.00 0.00 C ATOM 518 CZ TYR A 35 -9.144 -4.518 -6.015 1.00 0.00 C ATOM 519 OH TYR A 35 -9.513 -5.630 -6.743 1.00 0.00 O ATOM 0 H TYR A 35 -7.779 0.977 -2.297 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.988 -0.273 -3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.632 -0.248 -4.426 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.141 -1.273 -3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.156 -1.119 -6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.714 -3.659 -3.049 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.825 -3.121 -7.504 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.376 -5.658 -4.358 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.289 -6.440 -6.239 1.00 0.00 H new ATOM 529 N LEU A 36 -8.820 -1.876 -0.938 1.00 0.00 N ATOM 530 CA LEU A 36 -9.204 -2.918 0.053 1.00 0.00 C ATOM 531 C LEU A 36 -10.451 -2.461 0.813 1.00 0.00 C ATOM 532 O LEU A 36 -11.334 -3.245 1.101 1.00 0.00 O ATOM 533 CB LEU A 36 -8.048 -3.144 1.038 1.00 0.00 C ATOM 534 CG LEU A 36 -6.842 -3.780 0.313 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.639 -3.810 1.271 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.179 -5.222 -0.162 1.00 0.00 C ATOM 0 H LEU A 36 -7.929 -1.413 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.419 -3.852 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.752 -2.195 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.375 -3.792 1.851 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.601 -3.182 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.783 -4.258 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.390 -2.793 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.890 -4.400 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.314 -5.649 -0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.435 -5.838 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.024 -5.190 -0.849 1.00 0.00 H new ATOM 548 N ALA A 37 -10.533 -1.200 1.148 1.00 0.00 N ATOM 549 CA ALA A 37 -11.726 -0.707 1.895 1.00 0.00 C ATOM 550 C ALA A 37 -12.998 -1.007 1.098 1.00 0.00 C ATOM 551 O ALA A 37 -13.954 -1.546 1.620 1.00 0.00 O ATOM 552 CB ALA A 37 -11.602 0.803 2.110 1.00 0.00 C ATOM 0 H ALA A 37 -9.828 -0.493 0.937 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.781 -1.211 2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.473 1.166 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.700 1.016 2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.545 1.305 1.144 1.00 0.00 H new ATOM 558 N LYS A 38 -13.022 -0.665 -0.162 1.00 0.00 N ATOM 559 CA LYS A 38 -14.238 -0.934 -0.981 1.00 0.00 C ATOM 560 C LYS A 38 -14.485 -2.444 -1.050 1.00 0.00 C ATOM 561 O LYS A 38 -15.608 -2.901 -0.962 1.00 0.00 O ATOM 562 CB LYS A 38 -14.036 -0.388 -2.399 1.00 0.00 C ATOM 563 CG LYS A 38 -13.970 1.142 -2.367 1.00 0.00 C ATOM 564 CD LYS A 38 -13.918 1.687 -3.805 1.00 0.00 C ATOM 565 CE LYS A 38 -12.600 1.287 -4.504 1.00 0.00 C ATOM 566 NZ LYS A 38 -12.752 -0.071 -5.102 1.00 0.00 N ATOM 0 H LYS A 38 -12.254 -0.212 -0.658 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.096 -0.444 -0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.117 -0.791 -2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.854 -0.712 -3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.840 1.543 -1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.090 1.467 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.765 1.304 -4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.010 2.773 -3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.351 2.012 -5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.779 1.292 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.133 -0.741 -4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.741 -0.381 -5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.489 -0.039 -6.108 1.00 0.00 H new ATOM 580 N ASN A 39 -13.448 -3.222 -1.208 1.00 0.00 N ATOM 581 CA ASN A 39 -13.630 -4.700 -1.283 1.00 0.00 C ATOM 582 C ASN A 39 -14.174 -5.213 0.054 1.00 0.00 C ATOM 583 O ASN A 39 -15.029 -6.074 0.098 1.00 0.00 O ATOM 584 CB ASN A 39 -12.281 -5.370 -1.577 1.00 0.00 C ATOM 585 CG ASN A 39 -11.829 -5.041 -3.004 1.00 0.00 C ATOM 586 OD1 ASN A 39 -12.616 -4.363 -3.794 1.00 0.00 O flip ATOM 587 ND2 ASN A 39 -10.739 -5.402 -3.401 1.00 0.00 N flip ATOM 0 H ASN A 39 -12.484 -2.898 -1.288 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.334 -4.939 -2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.533 -5.028 -0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.368 -6.450 -1.455 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.122 -5.932 -2.786 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.441 -5.175 -4.350 1.00 0.00 H new ATOM 594 N ASP A 40 -13.683 -4.688 1.149 1.00 0.00 N ATOM 595 CA ASP A 40 -14.168 -5.145 2.490 1.00 0.00 C ATOM 596 C ASP A 40 -15.439 -4.350 2.853 1.00 0.00 C ATOM 597 O ASP A 40 -15.603 -3.229 2.413 1.00 0.00 O ATOM 598 CB ASP A 40 -13.072 -4.868 3.536 1.00 0.00 C ATOM 599 CG ASP A 40 -11.926 -5.876 3.375 1.00 0.00 C ATOM 600 OD1 ASP A 40 -11.481 -6.062 2.254 1.00 0.00 O ATOM 601 OD2 ASP A 40 -11.517 -6.442 4.374 1.00 0.00 O ATOM 0 H ASP A 40 -12.967 -3.962 1.173 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.393 -6.211 2.470 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.693 -3.853 3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.490 -4.938 4.540 1.00 0.00 H new ATOM 606 N PRO A 41 -16.335 -4.897 3.657 1.00 0.00 N ATOM 607 CA PRO A 41 -17.575 -4.164 4.056 1.00 0.00 C ATOM 608 C PRO A 41 -17.260 -2.720 4.473 1.00 0.00 C ATOM 609 O PRO A 41 -17.942 -1.788 4.099 1.00 0.00 O ATOM 610 CB PRO A 41 -18.114 -4.967 5.265 1.00 0.00 C ATOM 611 CG PRO A 41 -17.563 -6.360 5.106 1.00 0.00 C ATOM 612 CD PRO A 41 -16.278 -6.249 4.254 1.00 0.00 C ATOM 0 HA PRO A 41 -18.291 -4.092 3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -17.790 -4.523 6.206 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -19.204 -4.976 5.275 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -17.343 -6.800 6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -18.292 -7.009 4.620 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -15.385 -6.373 4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -16.246 -7.020 3.484 1.00 0.00 H new ATOM 620 N SER A 42 -16.221 -2.545 5.246 1.00 0.00 N ATOM 621 CA SER A 42 -15.823 -1.181 5.709 1.00 0.00 C ATOM 622 C SER A 42 -14.298 -1.126 5.803 1.00 0.00 C ATOM 623 O SER A 42 -13.625 -0.807 4.843 1.00 0.00 O ATOM 624 CB SER A 42 -16.438 -0.916 7.086 1.00 0.00 C ATOM 625 OG SER A 42 -17.843 -0.759 6.947 1.00 0.00 O ATOM 0 H SER A 42 -15.622 -3.300 5.581 1.00 0.00 H new ATOM 0 HA SER A 42 -16.177 -0.424 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 42 -16.217 -1.743 7.761 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.001 -0.019 7.526 1.00 0.00 H new ATOM 0 HG SER A 42 -18.242 -0.591 7.826 1.00 0.00 H new ATOM 631 N PHE A 43 -13.761 -1.409 6.962 1.00 0.00 N ATOM 632 CA PHE A 43 -12.282 -1.362 7.159 1.00 0.00 C ATOM 633 C PHE A 43 -11.791 0.068 6.910 1.00 0.00 C ATOM 634 O PHE A 43 -12.307 0.789 6.078 1.00 0.00 O ATOM 635 CB PHE A 43 -11.584 -2.363 6.218 1.00 0.00 C ATOM 636 CG PHE A 43 -10.104 -2.458 6.560 1.00 0.00 C ATOM 637 CD1 PHE A 43 -9.706 -3.015 7.784 1.00 0.00 C ATOM 638 CD2 PHE A 43 -9.128 -2.007 5.653 1.00 0.00 C ATOM 639 CE1 PHE A 43 -8.345 -3.117 8.102 1.00 0.00 C ATOM 640 CE2 PHE A 43 -7.769 -2.113 5.973 1.00 0.00 C ATOM 641 CZ PHE A 43 -7.380 -2.668 7.196 1.00 0.00 C ATOM 0 H PHE A 43 -14.293 -1.674 7.791 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.036 -1.647 8.182 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -12.050 -3.344 6.308 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.706 -2.046 5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.450 -3.366 8.483 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.427 -1.578 4.708 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.042 -3.543 9.047 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.021 -1.766 5.275 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.331 -2.750 7.441 1.00 0.00 H new ATOM 651 N ASP A 44 -10.802 0.483 7.654 1.00 0.00 N ATOM 652 CA ASP A 44 -10.264 1.871 7.510 1.00 0.00 C ATOM 653 C ASP A 44 -8.836 1.928 8.075 1.00 0.00 C ATOM 654 O ASP A 44 -8.661 2.116 9.263 1.00 0.00 O ATOM 655 CB ASP A 44 -11.144 2.830 8.321 1.00 0.00 C ATOM 656 CG ASP A 44 -12.527 2.943 7.670 1.00 0.00 C ATOM 657 OD1 ASP A 44 -12.599 3.437 6.558 1.00 0.00 O ATOM 658 OD2 ASP A 44 -13.489 2.538 8.302 1.00 0.00 O ATOM 0 H ASP A 44 -10.338 -0.084 8.363 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.259 2.153 6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.242 2.470 9.345 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.675 3.813 8.373 1.00 0.00 H new ATOM 663 N PRO A 45 -7.812 1.768 7.266 1.00 0.00 N ATOM 664 CA PRO A 45 -6.422 1.816 7.789 1.00 0.00 C ATOM 665 C PRO A 45 -6.054 3.246 8.205 1.00 0.00 C ATOM 666 O PRO A 45 -5.176 3.472 9.012 1.00 0.00 O ATOM 667 CB PRO A 45 -5.554 1.289 6.623 1.00 0.00 C ATOM 668 CG PRO A 45 -6.367 1.504 5.375 1.00 0.00 C ATOM 669 CD PRO A 45 -7.850 1.542 5.802 1.00 0.00 C ATOM 0 HA PRO A 45 -6.278 1.215 8.687 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.606 1.824 6.569 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.317 0.234 6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.083 2.436 4.886 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.193 0.701 4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.389 2.340 5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.357 0.608 5.558 1.00 0.00 H new ATOM 677 N ARG A 46 -6.733 4.211 7.656 1.00 0.00 N ATOM 678 CA ARG A 46 -6.446 5.625 8.021 1.00 0.00 C ATOM 679 C ARG A 46 -6.818 5.858 9.491 1.00 0.00 C ATOM 680 O ARG A 46 -6.038 6.379 10.264 1.00 0.00 O ATOM 681 CB ARG A 46 -7.271 6.552 7.116 1.00 0.00 C ATOM 682 CG ARG A 46 -6.695 6.537 5.690 1.00 0.00 C ATOM 683 CD ARG A 46 -7.535 7.437 4.745 1.00 0.00 C ATOM 684 NE ARG A 46 -8.641 6.632 4.119 1.00 0.00 N ATOM 685 CZ ARG A 46 -9.745 7.202 3.687 1.00 0.00 C ATOM 686 NH1 ARG A 46 -9.984 8.466 3.923 1.00 0.00 N ATOM 687 NH2 ARG A 46 -10.621 6.499 3.023 1.00 0.00 N ATOM 0 H ARG A 46 -7.476 4.082 6.969 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.385 5.837 7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.312 6.228 7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.259 7.567 7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.662 6.885 5.707 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.682 5.516 5.309 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.954 8.274 5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.897 7.859 3.969 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.532 5.622 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.310 9.023 4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.844 8.895 3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.449 5.510 2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.478 6.938 2.687 1.00 0.00 H new ATOM 701 N ASN A 47 -8.013 5.500 9.874 1.00 0.00 N ATOM 702 CA ASN A 47 -8.451 5.725 11.282 1.00 0.00 C ATOM 703 C ASN A 47 -7.595 4.898 12.244 1.00 0.00 C ATOM 704 O ASN A 47 -7.642 5.086 13.444 1.00 0.00 O ATOM 705 CB ASN A 47 -9.915 5.310 11.420 1.00 0.00 C ATOM 706 CG ASN A 47 -10.409 5.642 12.829 1.00 0.00 C ATOM 707 OD1 ASN A 47 -9.974 6.608 13.425 1.00 0.00 O ATOM 708 ND2 ASN A 47 -11.301 4.875 13.391 1.00 0.00 N ATOM 0 H ASN A 47 -8.708 5.060 9.271 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.336 6.780 11.529 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.523 5.829 10.679 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.021 4.242 11.228 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.635 5.085 14.332 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.665 4.065 12.890 1.00 0.00 H new ATOM 715 N TRP A 48 -6.806 3.985 11.737 1.00 0.00 N ATOM 716 CA TRP A 48 -5.944 3.156 12.635 1.00 0.00 C ATOM 717 C TRP A 48 -4.681 3.962 13.001 1.00 0.00 C ATOM 718 O TRP A 48 -3.805 3.457 13.678 1.00 0.00 O ATOM 719 CB TRP A 48 -5.534 1.858 11.892 1.00 0.00 C ATOM 720 CG TRP A 48 -6.439 0.706 12.215 1.00 0.00 C ATOM 721 CD1 TRP A 48 -7.792 0.727 12.196 1.00 0.00 C ATOM 722 CD2 TRP A 48 -6.054 -0.650 12.577 1.00 0.00 C ATOM 723 NE1 TRP A 48 -8.260 -0.538 12.518 1.00 0.00 N ATOM 724 CE2 TRP A 48 -7.223 -1.422 12.759 1.00 0.00 C ATOM 725 CE3 TRP A 48 -4.808 -1.278 12.760 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -7.157 -2.775 13.105 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -4.731 -2.634 13.105 1.00 0.00 C ATOM 728 CH2 TRP A 48 -5.906 -3.384 13.275 1.00 0.00 C ATOM 0 H TRP A 48 -6.721 3.778 10.742 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.490 2.898 13.542 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.548 2.038 10.817 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.510 1.598 12.158 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.405 1.586 11.968 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -9.248 -0.787 12.571 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.900 -0.708 12.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.063 -3.347 13.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.767 -3.103 13.240 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -5.846 -4.430 13.537 1.00 0.00 H new ATOM 739 N GLY A 49 -4.576 5.201 12.557 1.00 0.00 N ATOM 740 CA GLY A 49 -3.364 6.045 12.873 1.00 0.00 C ATOM 741 C GLY A 49 -2.659 6.455 11.573 1.00 0.00 C ATOM 742 O GLY A 49 -2.892 5.895 10.520 1.00 0.00 O ATOM 0 H GLY A 49 -5.281 5.667 11.986 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.664 6.933 13.430 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.677 5.487 13.509 1.00 0.00 H new ATOM 746 N HIS A 50 -1.792 7.435 11.646 1.00 0.00 N ATOM 747 CA HIS A 50 -1.059 7.894 10.426 1.00 0.00 C ATOM 748 C HIS A 50 -0.001 6.862 10.038 1.00 0.00 C ATOM 749 O HIS A 50 0.787 6.426 10.855 1.00 0.00 O ATOM 750 CB HIS A 50 -0.373 9.232 10.720 1.00 0.00 C ATOM 751 CG HIS A 50 0.281 9.751 9.469 1.00 0.00 C ATOM 752 ND1 HIS A 50 1.475 9.232 8.990 1.00 0.00 N ATOM 753 CD2 HIS A 50 -0.073 10.744 8.588 1.00 0.00 C ATOM 754 CE1 HIS A 50 1.792 9.907 7.870 1.00 0.00 C ATOM 755 NE2 HIS A 50 0.881 10.840 7.580 1.00 0.00 N ATOM 0 H HIS A 50 -1.560 7.939 12.502 1.00 0.00 H new ATOM 0 HA HIS A 50 -1.767 8.013 9.605 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.103 9.953 11.086 1.00 0.00 H new ATOM 0 HB3 HIS A 50 0.372 9.105 11.506 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.958 11.358 8.666 1.00 0.00 H new ATOM 0 HE1 HIS A 50 2.675 9.718 7.278 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.884 11.484 6.789 1.00 0.00 H new ATOM 763 N GLY A 51 0.019 6.452 8.796 1.00 0.00 N ATOM 764 CA GLY A 51 1.019 5.435 8.348 1.00 0.00 C ATOM 765 C GLY A 51 0.486 4.044 8.677 1.00 0.00 C ATOM 766 O GLY A 51 -0.203 3.442 7.882 1.00 0.00 O ATOM 0 H GLY A 51 -0.617 6.779 8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.197 5.527 7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.975 5.601 8.846 1.00 0.00 H new ATOM 770 N ARG A 52 0.790 3.545 9.850 1.00 0.00 N ATOM 771 CA ARG A 52 0.299 2.191 10.266 1.00 0.00 C ATOM 772 C ARG A 52 0.594 1.157 9.184 1.00 0.00 C ATOM 773 O ARG A 52 1.541 0.413 9.275 1.00 0.00 O ATOM 774 CB ARG A 52 -1.220 2.245 10.501 1.00 0.00 C ATOM 775 CG ARG A 52 -1.811 0.816 10.815 1.00 0.00 C ATOM 776 CD ARG A 52 -2.792 0.356 9.706 1.00 0.00 C ATOM 777 NE ARG A 52 -3.592 -0.801 10.190 1.00 0.00 N ATOM 778 CZ ARG A 52 -4.328 -1.493 9.366 1.00 0.00 C ATOM 779 NH1 ARG A 52 -4.192 -1.332 8.082 1.00 0.00 N ATOM 780 NH2 ARG A 52 -5.169 -2.375 9.831 1.00 0.00 N ATOM 0 H ARG A 52 1.364 4.022 10.545 1.00 0.00 H new ATOM 0 HA ARG A 52 0.813 1.904 11.184 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.437 2.919 11.330 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.711 2.656 9.619 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.998 0.096 10.906 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.327 0.837 11.775 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.453 1.177 9.429 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.238 0.077 8.810 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.564 -1.056 11.177 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.510 -0.665 7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.767 -1.873 7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.250 -2.522 10.837 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.746 -2.918 9.188 1.00 0.00 H new ATOM 794 N LEU A 53 -0.237 1.086 8.181 1.00 0.00 N ATOM 795 CA LEU A 53 -0.046 0.075 7.106 1.00 0.00 C ATOM 796 C LEU A 53 1.405 0.133 6.626 1.00 0.00 C ATOM 797 O LEU A 53 2.003 -0.871 6.317 1.00 0.00 O ATOM 798 CB LEU A 53 -1.003 0.387 5.945 1.00 0.00 C ATOM 799 CG LEU A 53 -0.953 -0.723 4.871 1.00 0.00 C ATOM 800 CD1 LEU A 53 -1.446 -2.075 5.450 1.00 0.00 C ATOM 801 CD2 LEU A 53 -1.845 -0.306 3.688 1.00 0.00 C ATOM 0 H LEU A 53 -1.048 1.692 8.060 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.261 -0.925 7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.020 0.485 6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.736 1.344 5.496 1.00 0.00 H new ATOM 0 HG LEU A 53 0.077 -0.853 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.402 -2.840 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.810 -2.367 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.474 -1.969 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.819 -1.081 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.870 -0.172 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.479 0.631 3.269 1.00 0.00 H new ATOM 813 N SER A 54 1.970 1.312 6.589 1.00 0.00 N ATOM 814 CA SER A 54 3.392 1.465 6.163 1.00 0.00 C ATOM 815 C SER A 54 4.316 0.800 7.197 1.00 0.00 C ATOM 816 O SER A 54 5.339 0.238 6.860 1.00 0.00 O ATOM 817 CB SER A 54 3.731 2.955 6.062 1.00 0.00 C ATOM 818 OG SER A 54 5.143 3.113 6.006 1.00 0.00 O ATOM 0 H SER A 54 1.502 2.183 6.838 1.00 0.00 H new ATOM 0 HA SER A 54 3.534 0.989 5.193 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.270 3.385 5.173 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.327 3.491 6.921 1.00 0.00 H new ATOM 0 HG SER A 54 5.363 4.066 5.940 1.00 0.00 H new ATOM 824 N GLN A 55 3.978 0.887 8.462 1.00 0.00 N ATOM 825 CA GLN A 55 4.840 0.279 9.531 1.00 0.00 C ATOM 826 C GLN A 55 4.474 -1.200 9.732 1.00 0.00 C ATOM 827 O GLN A 55 5.313 -2.014 10.065 1.00 0.00 O ATOM 828 CB GLN A 55 4.628 1.043 10.844 1.00 0.00 C ATOM 829 CG GLN A 55 5.557 0.487 11.931 1.00 0.00 C ATOM 830 CD GLN A 55 5.471 1.367 13.181 1.00 0.00 C ATOM 831 OE1 GLN A 55 5.035 2.498 13.114 1.00 0.00 O ATOM 832 NE2 GLN A 55 5.870 0.888 14.329 1.00 0.00 N ATOM 0 H GLN A 55 3.138 1.355 8.803 1.00 0.00 H new ATOM 0 HA GLN A 55 5.885 0.344 9.229 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.826 2.104 10.693 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.589 0.955 11.162 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.275 -0.537 12.175 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.583 0.457 11.565 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.236 -0.062 14.386 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.815 1.464 15.169 1.00 0.00 H new ATOM 841 N MET A 56 3.229 -1.553 9.548 1.00 0.00 N ATOM 842 CA MET A 56 2.821 -2.974 9.746 1.00 0.00 C ATOM 843 C MET A 56 3.533 -3.843 8.703 1.00 0.00 C ATOM 844 O MET A 56 3.953 -4.943 8.988 1.00 0.00 O ATOM 845 CB MET A 56 1.287 -3.111 9.611 1.00 0.00 C ATOM 846 CG MET A 56 0.601 -2.528 10.850 1.00 0.00 C ATOM 847 SD MET A 56 -1.199 -2.659 10.662 1.00 0.00 S ATOM 848 CE MET A 56 -1.344 -4.467 10.740 1.00 0.00 C ATOM 0 H MET A 56 2.479 -0.920 9.270 1.00 0.00 H new ATOM 0 HA MET A 56 3.103 -3.304 10.746 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.944 -2.591 8.716 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.016 -4.160 9.494 1.00 0.00 H new ATOM 0 HG2 MET A 56 0.924 -3.063 11.743 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.889 -1.485 10.981 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.182 -4.737 11.382 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.512 -4.862 9.738 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.425 -4.889 11.147 1.00 0.00 H new ATOM 858 N VAL A 57 3.667 -3.370 7.494 1.00 0.00 N ATOM 859 CA VAL A 57 4.358 -4.187 6.450 1.00 0.00 C ATOM 860 C VAL A 57 5.854 -4.295 6.771 1.00 0.00 C ATOM 861 O VAL A 57 6.519 -5.228 6.360 1.00 0.00 O ATOM 862 CB VAL A 57 4.185 -3.530 5.076 1.00 0.00 C ATOM 863 CG1 VAL A 57 2.704 -3.549 4.677 1.00 0.00 C ATOM 864 CG2 VAL A 57 4.687 -2.086 5.128 1.00 0.00 C ATOM 0 H VAL A 57 3.331 -2.459 7.183 1.00 0.00 H new ATOM 0 HA VAL A 57 3.917 -5.184 6.438 1.00 0.00 H new ATOM 0 HB VAL A 57 4.763 -4.085 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.584 -3.081 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.353 -4.580 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.121 -2.999 5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.563 -1.622 4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.115 -1.528 5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.742 -2.077 5.402 1.00 0.00 H new ATOM 874 N LYS A 58 6.397 -3.332 7.467 1.00 0.00 N ATOM 875 CA LYS A 58 7.858 -3.353 7.781 1.00 0.00 C ATOM 876 C LYS A 58 8.227 -4.627 8.553 1.00 0.00 C ATOM 877 O LYS A 58 9.260 -5.221 8.320 1.00 0.00 O ATOM 878 CB LYS A 58 8.202 -2.123 8.633 1.00 0.00 C ATOM 879 CG LYS A 58 9.717 -2.040 8.852 1.00 0.00 C ATOM 880 CD LYS A 58 10.054 -0.760 9.623 1.00 0.00 C ATOM 881 CE LYS A 58 11.569 -0.656 9.817 1.00 0.00 C ATOM 882 NZ LYS A 58 12.055 -1.840 10.585 1.00 0.00 N ATOM 0 H LYS A 58 5.890 -2.527 7.834 1.00 0.00 H new ATOM 0 HA LYS A 58 8.422 -3.337 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.848 -1.218 8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.691 -2.182 9.594 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.063 -2.912 9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.234 -2.046 7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.687 0.110 9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.554 -0.765 10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.068 -0.607 8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.816 0.263 10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.981 -1.624 11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.376 -2.068 11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.148 -2.655 9.945 1.00 0.00 H new ATOM 896 N LYS A 59 7.405 -5.047 9.477 1.00 0.00 N ATOM 897 CA LYS A 59 7.732 -6.278 10.266 1.00 0.00 C ATOM 898 C LYS A 59 7.494 -7.534 9.415 1.00 0.00 C ATOM 899 O LYS A 59 7.719 -8.640 9.868 1.00 0.00 O ATOM 900 CB LYS A 59 6.848 -6.328 11.527 1.00 0.00 C ATOM 901 CG LYS A 59 5.397 -5.996 11.156 1.00 0.00 C ATOM 902 CD LYS A 59 4.455 -6.318 12.327 1.00 0.00 C ATOM 903 CE LYS A 59 4.783 -5.438 13.548 1.00 0.00 C ATOM 904 NZ LYS A 59 5.011 -4.030 13.116 1.00 0.00 N ATOM 0 H LYS A 59 6.524 -4.595 9.722 1.00 0.00 H new ATOM 0 HA LYS A 59 8.782 -6.246 10.557 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.900 -7.318 11.980 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.215 -5.618 12.268 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.315 -4.941 10.895 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.101 -6.567 10.276 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.421 -6.156 12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.547 -7.370 12.596 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.964 -5.478 14.266 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.670 -5.820 14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.813 -3.387 13.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.000 -3.915 12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.380 -3.804 12.321 1.00 0.00 H new ATOM 918 N LEU A 60 7.052 -7.377 8.184 1.00 0.00 N ATOM 919 CA LEU A 60 6.810 -8.568 7.291 1.00 0.00 C ATOM 920 C LEU A 60 7.968 -8.694 6.289 1.00 0.00 C ATOM 921 O LEU A 60 8.185 -7.831 5.463 1.00 0.00 O ATOM 922 CB LEU A 60 5.490 -8.371 6.530 1.00 0.00 C ATOM 923 CG LEU A 60 4.358 -7.989 7.502 1.00 0.00 C ATOM 924 CD1 LEU A 60 3.031 -7.905 6.728 1.00 0.00 C ATOM 925 CD2 LEU A 60 4.238 -9.033 8.634 1.00 0.00 C ATOM 0 H LEU A 60 6.847 -6.474 7.757 1.00 0.00 H new ATOM 0 HA LEU A 60 6.750 -9.475 7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.610 -7.591 5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.229 -9.287 6.000 1.00 0.00 H new ATOM 0 HG LEU A 60 4.586 -7.021 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.227 -7.635 7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.112 -7.149 5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.812 -8.872 6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.433 -8.745 9.310 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.020 -10.011 8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.176 -9.080 9.186 1.00 0.00 H new ATOM 937 N ASP A 61 8.722 -9.758 6.375 1.00 0.00 N ATOM 938 CA ASP A 61 9.882 -9.944 5.452 1.00 0.00 C ATOM 939 C ASP A 61 9.420 -10.122 3.996 1.00 0.00 C ATOM 940 O ASP A 61 10.021 -9.591 3.083 1.00 0.00 O ATOM 941 CB ASP A 61 10.667 -11.186 5.888 1.00 0.00 C ATOM 942 CG ASP A 61 11.899 -11.373 4.992 1.00 0.00 C ATOM 943 OD1 ASP A 61 12.042 -10.621 4.039 1.00 0.00 O ATOM 944 OD2 ASP A 61 12.679 -12.266 5.275 1.00 0.00 O ATOM 0 H ASP A 61 8.584 -10.511 7.049 1.00 0.00 H new ATOM 0 HA ASP A 61 10.509 -9.054 5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.976 -11.084 6.928 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.029 -12.068 5.831 1.00 0.00 H new ATOM 949 N PHE A 62 8.387 -10.888 3.763 1.00 0.00 N ATOM 950 CA PHE A 62 7.929 -11.120 2.353 1.00 0.00 C ATOM 951 C PHE A 62 7.269 -9.861 1.781 1.00 0.00 C ATOM 952 O PHE A 62 6.585 -9.923 0.779 1.00 0.00 O ATOM 953 CB PHE A 62 6.924 -12.291 2.324 1.00 0.00 C ATOM 954 CG PHE A 62 5.619 -11.898 3.003 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.475 -12.052 4.388 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.557 -11.377 2.246 1.00 0.00 C ATOM 957 CE1 PHE A 62 4.275 -11.687 5.014 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.361 -11.013 2.872 1.00 0.00 C ATOM 959 CZ PHE A 62 3.219 -11.168 4.254 1.00 0.00 C ATOM 0 H PHE A 62 7.840 -11.363 4.481 1.00 0.00 H new ATOM 0 HA PHE A 62 8.797 -11.363 1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.729 -12.584 1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.354 -13.158 2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.289 -12.452 4.974 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.664 -11.257 1.178 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.165 -11.806 6.082 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.546 -10.612 2.287 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.294 -10.887 4.736 1.00 0.00 H new ATOM 969 N LEU A 63 7.457 -8.724 2.412 1.00 0.00 N ATOM 970 CA LEU A 63 6.825 -7.453 1.916 1.00 0.00 C ATOM 971 C LEU A 63 7.906 -6.366 1.811 1.00 0.00 C ATOM 972 O LEU A 63 8.509 -5.980 2.790 1.00 0.00 O ATOM 973 CB LEU A 63 5.734 -7.057 2.939 1.00 0.00 C ATOM 974 CG LEU A 63 4.651 -6.151 2.319 1.00 0.00 C ATOM 975 CD1 LEU A 63 5.285 -4.860 1.771 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.866 -6.901 1.203 1.00 0.00 C ATOM 0 H LEU A 63 8.024 -8.620 3.254 1.00 0.00 H new ATOM 0 HA LEU A 63 6.378 -7.579 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.267 -7.958 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.198 -6.542 3.780 1.00 0.00 H new ATOM 0 HG LEU A 63 3.940 -5.883 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.509 -4.230 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.776 -4.323 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.019 -5.112 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.109 -6.239 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.556 -7.208 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.383 -7.782 1.627 1.00 0.00 H new ATOM 988 N THR A 64 8.148 -5.869 0.622 1.00 0.00 N ATOM 989 CA THR A 64 9.186 -4.807 0.428 1.00 0.00 C ATOM 990 C THR A 64 8.545 -3.430 0.629 1.00 0.00 C ATOM 991 O THR A 64 7.400 -3.218 0.282 1.00 0.00 O ATOM 992 CB THR A 64 9.750 -4.911 -0.993 1.00 0.00 C ATOM 993 OG1 THR A 64 10.234 -6.229 -1.209 1.00 0.00 O ATOM 994 CG2 THR A 64 10.899 -3.912 -1.168 1.00 0.00 C ATOM 0 H THR A 64 7.667 -6.156 -0.230 1.00 0.00 H new ATOM 0 HA THR A 64 9.992 -4.939 1.150 1.00 0.00 H new ATOM 0 HB THR A 64 8.963 -4.684 -1.713 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.594 -6.300 -2.118 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.297 -3.989 -2.180 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.530 -2.900 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.688 -4.135 -0.450 1.00 0.00 H new ATOM 1002 N VAL A 65 9.283 -2.493 1.192 1.00 0.00 N ATOM 1003 CA VAL A 65 8.740 -1.111 1.440 1.00 0.00 C ATOM 1004 C VAL A 65 9.563 -0.083 0.664 1.00 0.00 C ATOM 1005 O VAL A 65 10.777 -0.066 0.722 1.00 0.00 O ATOM 1006 CB VAL A 65 8.833 -0.804 2.937 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.228 0.576 3.227 1.00 0.00 C ATOM 1008 CG2 VAL A 65 8.070 -1.876 3.722 1.00 0.00 C ATOM 0 H VAL A 65 10.248 -2.629 1.493 1.00 0.00 H new ATOM 0 HA VAL A 65 7.702 -1.062 1.110 1.00 0.00 H new ATOM 0 HB VAL A 65 9.880 -0.803 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.298 0.787 4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.774 1.337 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.181 0.586 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.134 -1.661 4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.024 -1.877 3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.508 -2.854 3.522 1.00 0.00 H new ATOM 1018 N GLN A 66 8.899 0.786 -0.056 1.00 0.00 N ATOM 1019 CA GLN A 66 9.608 1.842 -0.845 1.00 0.00 C ATOM 1020 C GLN A 66 8.752 3.108 -0.832 1.00 0.00 C ATOM 1021 O GLN A 66 7.545 3.041 -0.702 1.00 0.00 O ATOM 1022 CB GLN A 66 9.798 1.361 -2.286 1.00 0.00 C ATOM 1023 CG GLN A 66 10.612 2.395 -3.069 1.00 0.00 C ATOM 1024 CD GLN A 66 10.922 1.852 -4.465 1.00 0.00 C ATOM 1025 OE1 GLN A 66 10.024 1.588 -5.241 1.00 0.00 O ATOM 1026 NE2 GLN A 66 12.165 1.669 -4.819 1.00 0.00 N ATOM 0 H GLN A 66 7.882 0.809 -0.132 1.00 0.00 H new ATOM 0 HA GLN A 66 10.586 2.048 -0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.309 0.398 -2.294 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.828 1.211 -2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.055 3.329 -3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.539 2.619 -2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.919 1.890 -4.168 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.383 1.305 -5.746 1.00 0.00 H new ATOM 1035 N GLU A 67 9.370 4.258 -0.960 1.00 0.00 N ATOM 1036 CA GLU A 67 8.613 5.552 -0.948 1.00 0.00 C ATOM 1037 C GLU A 67 8.991 6.366 -2.176 1.00 0.00 C ATOM 1038 O GLU A 67 10.129 6.753 -2.353 1.00 0.00 O ATOM 1039 CB GLU A 67 8.983 6.350 0.313 1.00 0.00 C ATOM 1040 CG GLU A 67 8.612 5.542 1.580 1.00 0.00 C ATOM 1041 CD GLU A 67 9.710 4.515 1.907 1.00 0.00 C ATOM 1042 OE1 GLU A 67 10.641 4.396 1.125 1.00 0.00 O ATOM 1043 OE2 GLU A 67 9.598 3.870 2.934 1.00 0.00 O ATOM 0 H GLU A 67 10.379 4.357 -1.074 1.00 0.00 H new ATOM 0 HA GLU A 67 7.543 5.346 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.050 6.572 0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.459 7.306 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.477 6.219 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.662 5.030 1.427 1.00 0.00 H new ATOM 1050 N SER A 68 8.042 6.646 -3.028 1.00 0.00 N ATOM 1051 CA SER A 68 8.345 7.449 -4.244 1.00 0.00 C ATOM 1052 C SER A 68 8.407 8.925 -3.846 1.00 0.00 C ATOM 1053 O SER A 68 7.785 9.346 -2.891 1.00 0.00 O ATOM 1054 CB SER A 68 7.241 7.244 -5.283 1.00 0.00 C ATOM 1055 OG SER A 68 5.972 7.465 -4.677 1.00 0.00 O ATOM 0 H SER A 68 7.070 6.352 -2.933 1.00 0.00 H new ATOM 0 HA SER A 68 9.297 7.136 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.381 7.930 -6.118 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.291 6.233 -5.688 1.00 0.00 H new ATOM 0 HG SER A 68 5.351 6.758 -4.950 1.00 0.00 H new ATOM 1061 N ARG A 69 9.144 9.717 -4.582 1.00 0.00 N ATOM 1062 CA ARG A 69 9.244 11.175 -4.267 1.00 0.00 C ATOM 1063 C ARG A 69 8.244 11.935 -5.136 1.00 0.00 C ATOM 1064 O ARG A 69 8.131 11.693 -6.321 1.00 0.00 O ATOM 1065 CB ARG A 69 10.646 11.667 -4.589 1.00 0.00 C ATOM 1066 CG ARG A 69 11.695 10.938 -3.725 1.00 0.00 C ATOM 1067 CD ARG A 69 13.082 11.615 -3.927 1.00 0.00 C ATOM 1068 NE ARG A 69 14.191 10.596 -3.907 1.00 0.00 N ATOM 1069 CZ ARG A 69 15.398 10.908 -3.458 1.00 0.00 C ATOM 1070 NH1 ARG A 69 15.592 11.978 -2.728 1.00 0.00 N ATOM 1071 NH2 ARG A 69 16.410 10.120 -3.702 1.00 0.00 N ATOM 0 H ARG A 69 9.684 9.415 -5.393 1.00 0.00 H new ATOM 0 HA ARG A 69 9.030 11.339 -3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.860 11.502 -5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.708 12.741 -4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.408 10.975 -2.674 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.746 9.886 -4.004 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.094 12.151 -4.876 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.248 12.353 -3.142 1.00 0.00 H new ATOM 0 HE ARG A 69 14.010 9.651 -4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.807 12.587 -2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.528 12.203 -2.391 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.272 9.264 -4.239 1.00 0.00 H new ATOM 0 HH22 ARG A 69 17.339 10.361 -3.356 1.00 0.00 H new ATOM 1085 N ASN A 70 7.510 12.851 -4.556 1.00 0.00 N ATOM 1086 CA ASN A 70 6.499 13.630 -5.343 1.00 0.00 C ATOM 1087 C ASN A 70 6.336 15.027 -4.732 1.00 0.00 C ATOM 1088 O ASN A 70 5.672 15.202 -3.729 1.00 0.00 O ATOM 1089 CB ASN A 70 5.159 12.895 -5.290 1.00 0.00 C ATOM 1090 CG ASN A 70 5.288 11.551 -6.013 1.00 0.00 C ATOM 1091 OD1 ASN A 70 5.591 11.509 -7.189 1.00 0.00 O ATOM 1092 ND2 ASN A 70 5.072 10.446 -5.353 1.00 0.00 N ATOM 0 H ASN A 70 7.566 13.095 -3.567 1.00 0.00 H new ATOM 0 HA ASN A 70 6.832 13.726 -6.377 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.859 12.736 -4.254 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.381 13.499 -5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.157 9.545 -5.824 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.818 10.483 -4.366 1.00 0.00 H new ATOM 1099 N GLY A 71 6.935 16.022 -5.329 1.00 0.00 N ATOM 1100 CA GLY A 71 6.808 17.404 -4.785 1.00 0.00 C ATOM 1101 C GLY A 71 7.292 17.433 -3.334 1.00 0.00 C ATOM 1102 O GLY A 71 8.266 16.796 -2.983 1.00 0.00 O ATOM 0 H GLY A 71 7.507 15.937 -6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.394 18.098 -5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.770 17.733 -4.839 1.00 0.00 H new ATOM 1106 N SER A 72 6.620 18.170 -2.486 1.00 0.00 N ATOM 1107 CA SER A 72 7.037 18.249 -1.051 1.00 0.00 C ATOM 1108 C SER A 72 6.407 17.100 -0.264 1.00 0.00 C ATOM 1109 O SER A 72 6.725 16.890 0.891 1.00 0.00 O ATOM 1110 CB SER A 72 6.559 19.576 -0.460 1.00 0.00 C ATOM 1111 OG SER A 72 5.139 19.573 -0.396 1.00 0.00 O ATOM 0 H SER A 72 5.797 18.723 -2.726 1.00 0.00 H new ATOM 0 HA SER A 72 8.123 18.181 -0.989 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.980 19.717 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.906 20.407 -1.074 1.00 0.00 H new ATOM 0 HG SER A 72 4.827 20.421 -0.016 1.00 0.00 H new ATOM 1117 N LYS A 73 5.513 16.353 -0.881 1.00 0.00 N ATOM 1118 CA LYS A 73 4.841 15.201 -0.179 1.00 0.00 C ATOM 1119 C LYS A 73 5.169 13.895 -0.905 1.00 0.00 C ATOM 1120 O LYS A 73 4.714 13.648 -2.004 1.00 0.00 O ATOM 1121 CB LYS A 73 3.323 15.421 -0.183 1.00 0.00 C ATOM 1122 CG LYS A 73 2.979 16.610 0.718 1.00 0.00 C ATOM 1123 CD LYS A 73 1.464 16.824 0.737 1.00 0.00 C ATOM 1124 CE LYS A 73 1.126 17.958 1.707 1.00 0.00 C ATOM 1125 NZ LYS A 73 1.738 19.227 1.219 1.00 0.00 N ATOM 0 H LYS A 73 5.218 16.493 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 73 5.200 15.142 0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.974 15.607 -1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.814 14.524 0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.343 16.429 1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.478 17.509 0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.107 17.067 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.959 15.907 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.045 18.071 1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.498 17.722 2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.264 20.036 1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.750 19.240 1.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.627 19.291 0.187 1.00 0.00 H new ATOM 1139 N LEU A 74 5.953 13.053 -0.286 1.00 0.00 N ATOM 1140 CA LEU A 74 6.317 11.746 -0.917 1.00 0.00 C ATOM 1141 C LEU A 74 5.161 10.762 -0.687 1.00 0.00 C ATOM 1142 O LEU A 74 4.461 10.834 0.303 1.00 0.00 O ATOM 1143 CB LEU A 74 7.638 11.188 -0.308 1.00 0.00 C ATOM 1144 CG LEU A 74 7.857 11.698 1.128 1.00 0.00 C ATOM 1145 CD1 LEU A 74 6.683 11.279 2.037 1.00 0.00 C ATOM 1146 CD2 LEU A 74 9.167 11.100 1.663 1.00 0.00 C ATOM 0 H LEU A 74 6.360 13.213 0.635 1.00 0.00 H new ATOM 0 HA LEU A 74 6.482 11.885 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.608 10.098 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.481 11.483 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 74 7.912 12.787 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.856 11.648 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.755 11.700 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.608 10.192 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 74 9.338 11.451 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.098 10.012 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.996 11.412 1.027 1.00 0.00 H new ATOM 1158 N HIS A 75 4.960 9.845 -1.604 1.00 0.00 N ATOM 1159 CA HIS A 75 3.853 8.839 -1.469 1.00 0.00 C ATOM 1160 C HIS A 75 4.449 7.471 -1.137 1.00 0.00 C ATOM 1161 O HIS A 75 5.356 7.003 -1.795 1.00 0.00 O ATOM 1162 CB HIS A 75 3.089 8.754 -2.794 1.00 0.00 C ATOM 1163 CG HIS A 75 2.357 10.047 -3.035 1.00 0.00 C ATOM 1164 ND1 HIS A 75 2.965 11.147 -3.617 1.00 0.00 N ATOM 1165 CD2 HIS A 75 1.065 10.427 -2.771 1.00 0.00 C ATOM 1166 CE1 HIS A 75 2.048 12.129 -3.682 1.00 0.00 C ATOM 1167 NE2 HIS A 75 0.872 11.743 -3.180 1.00 0.00 N ATOM 0 H HIS A 75 5.521 9.748 -2.450 1.00 0.00 H new ATOM 0 HA HIS A 75 3.174 9.142 -0.672 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.781 8.557 -3.613 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.383 7.924 -2.767 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.313 9.800 -2.315 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.239 13.110 -4.090 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.017 12.294 -3.111 1.00 0.00 H new ATOM 1175 N SER A 76 3.943 6.828 -0.121 1.00 0.00 N ATOM 1176 CA SER A 76 4.477 5.489 0.254 1.00 0.00 C ATOM 1177 C SER A 76 4.067 4.463 -0.806 1.00 0.00 C ATOM 1178 O SER A 76 3.048 4.599 -1.454 1.00 0.00 O ATOM 1179 CB SER A 76 3.906 5.080 1.616 1.00 0.00 C ATOM 1180 OG SER A 76 2.500 5.268 1.606 1.00 0.00 O ATOM 0 H SER A 76 3.183 7.172 0.466 1.00 0.00 H new ATOM 0 HA SER A 76 5.565 5.530 0.314 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.144 4.037 1.826 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.359 5.676 2.408 1.00 0.00 H new ATOM 0 HG SER A 76 2.232 5.777 2.400 1.00 0.00 H new ATOM 1186 N GLU A 77 4.858 3.432 -0.981 1.00 0.00 N ATOM 1187 CA GLU A 77 4.537 2.370 -1.992 1.00 0.00 C ATOM 1188 C GLU A 77 4.985 1.014 -1.440 1.00 0.00 C ATOM 1189 O GLU A 77 5.849 0.941 -0.590 1.00 0.00 O ATOM 1190 CB GLU A 77 5.286 2.646 -3.302 1.00 0.00 C ATOM 1191 CG GLU A 77 4.731 3.908 -3.974 1.00 0.00 C ATOM 1192 CD GLU A 77 5.485 4.175 -5.282 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.377 3.405 -5.604 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.158 5.147 -5.941 1.00 0.00 O ATOM 0 H GLU A 77 5.722 3.278 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 77 3.464 2.368 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.350 2.770 -3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.185 1.793 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.667 3.786 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.832 4.762 -3.304 1.00 0.00 H new ATOM 1201 N ILE A 78 4.395 -0.061 -1.913 1.00 0.00 N ATOM 1202 CA ILE A 78 4.773 -1.431 -1.421 1.00 0.00 C ATOM 1203 C ILE A 78 4.844 -2.404 -2.598 1.00 0.00 C ATOM 1204 O ILE A 78 4.200 -2.220 -3.610 1.00 0.00 O ATOM 1205 CB ILE A 78 3.710 -1.916 -0.426 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.312 -1.737 -1.040 1.00 0.00 C ATOM 1207 CG2 ILE A 78 3.800 -1.104 0.868 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.257 -2.364 -0.123 1.00 0.00 C ATOM 0 H ILE A 78 3.663 -0.050 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 78 5.747 -1.386 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 78 3.883 -2.969 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.100 -0.677 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.275 -2.204 -2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.043 -1.453 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.789 -1.230 1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.632 -0.050 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.268 -2.234 -0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.464 -3.427 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.287 -1.877 0.852 1.00 0.00 H new ATOM 1220 N ARG A 79 5.612 -3.456 -2.460 1.00 0.00 N ATOM 1221 CA ARG A 79 5.717 -4.464 -3.562 1.00 0.00 C ATOM 1222 C ARG A 79 6.100 -5.815 -2.959 1.00 0.00 C ATOM 1223 O ARG A 79 6.822 -5.885 -1.983 1.00 0.00 O ATOM 1224 CB ARG A 79 6.797 -4.029 -4.557 1.00 0.00 C ATOM 1225 CG ARG A 79 6.765 -4.943 -5.792 1.00 0.00 C ATOM 1226 CD ARG A 79 7.828 -4.493 -6.814 1.00 0.00 C ATOM 1227 NE ARG A 79 7.515 -5.092 -8.151 1.00 0.00 N ATOM 1228 CZ ARG A 79 8.420 -5.124 -9.097 1.00 0.00 C ATOM 1229 NH1 ARG A 79 9.644 -4.748 -8.849 1.00 0.00 N ATOM 1230 NH2 ARG A 79 8.097 -5.542 -10.288 1.00 0.00 N ATOM 0 H ARG A 79 6.171 -3.661 -1.632 1.00 0.00 H new ATOM 0 HA ARG A 79 4.762 -4.543 -4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.634 -2.993 -4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.779 -4.074 -4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.950 -5.975 -5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.776 -4.915 -6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.843 -3.405 -6.885 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.819 -4.805 -6.486 1.00 0.00 H new ATOM 0 HE ARG A 79 6.588 -5.479 -8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.900 -4.427 -7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.346 -4.775 -9.589 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.142 -5.843 -10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.799 -5.568 -11.027 1.00 0.00 H new ATOM 1244 N LEU A 80 5.632 -6.889 -3.532 1.00 0.00 N ATOM 1245 CA LEU A 80 5.982 -8.230 -2.990 1.00 0.00 C ATOM 1246 C LEU A 80 7.473 -8.490 -3.249 1.00 0.00 C ATOM 1247 O LEU A 80 7.988 -8.213 -4.314 1.00 0.00 O ATOM 1248 CB LEU A 80 5.137 -9.295 -3.693 1.00 0.00 C ATOM 1249 CG LEU A 80 3.643 -8.949 -3.572 1.00 0.00 C ATOM 1250 CD1 LEU A 80 2.827 -9.995 -4.341 1.00 0.00 C ATOM 1251 CD2 LEU A 80 3.206 -8.930 -2.087 1.00 0.00 C ATOM 0 H LEU A 80 5.023 -6.895 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 80 5.784 -8.269 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.419 -9.359 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.329 -10.273 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 80 3.469 -7.958 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.766 -9.759 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.123 -9.988 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.012 -10.983 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.146 -8.683 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.378 -9.911 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.786 -8.182 -1.547 1.00 0.00 H new ATOM 1263 N ARG A 81 8.170 -9.009 -2.273 1.00 0.00 N ATOM 1264 CA ARG A 81 9.632 -9.282 -2.431 1.00 0.00 C ATOM 1265 C ARG A 81 9.831 -10.571 -3.232 1.00 0.00 C ATOM 1266 O ARG A 81 9.209 -11.581 -2.971 1.00 0.00 O ATOM 1267 CB ARG A 81 10.239 -9.430 -1.033 1.00 0.00 C ATOM 1268 CG ARG A 81 11.763 -9.613 -1.098 1.00 0.00 C ATOM 1269 CD ARG A 81 12.297 -9.674 0.342 1.00 0.00 C ATOM 1270 NE ARG A 81 13.793 -9.879 0.353 1.00 0.00 N ATOM 1271 CZ ARG A 81 14.623 -9.015 0.915 1.00 0.00 C ATOM 1272 NH1 ARG A 81 14.214 -7.847 1.348 1.00 0.00 N ATOM 1273 NH2 ARG A 81 15.888 -9.322 1.019 1.00 0.00 N ATOM 0 H ARG A 81 7.785 -9.259 -1.362 1.00 0.00 H new ATOM 0 HA ARG A 81 10.119 -8.466 -2.965 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.002 -8.548 -0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.790 -10.286 -0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 81 12.014 -10.527 -1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.223 -8.787 -1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.048 -8.751 0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.810 -10.487 0.881 1.00 0.00 H new ATOM 0 HE ARG A 81 14.178 -10.714 -0.089 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.233 -7.584 1.256 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.877 -7.201 1.777 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.226 -10.219 0.669 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.538 -8.665 1.450 1.00 0.00 H new ATOM 1287 N HIS A 82 10.701 -10.540 -4.205 1.00 0.00 N ATOM 1288 CA HIS A 82 10.957 -11.756 -5.030 1.00 0.00 C ATOM 1289 C HIS A 82 12.231 -11.541 -5.846 1.00 0.00 C ATOM 1290 O HIS A 82 12.901 -10.535 -5.708 1.00 0.00 O ATOM 1291 CB HIS A 82 9.768 -12.008 -5.967 1.00 0.00 C ATOM 1292 CG HIS A 82 9.587 -10.835 -6.894 1.00 0.00 C ATOM 1293 ND1 HIS A 82 9.086 -9.618 -6.458 1.00 0.00 N ATOM 1294 CD2 HIS A 82 9.832 -10.680 -8.237 1.00 0.00 C ATOM 1295 CE1 HIS A 82 9.049 -8.791 -7.519 1.00 0.00 C ATOM 1296 NE2 HIS A 82 9.491 -9.389 -8.629 1.00 0.00 N ATOM 0 H HIS A 82 11.249 -9.720 -4.465 1.00 0.00 H new ATOM 0 HA HIS A 82 11.080 -12.624 -4.382 1.00 0.00 H new ATOM 0 HB2 HIS A 82 9.936 -12.917 -6.545 1.00 0.00 H new ATOM 0 HB3 HIS A 82 8.861 -12.165 -5.383 1.00 0.00 H new ATOM 0 HD1 HIS A 82 8.798 -9.391 -5.506 1.00 0.00 H new ATOM 0 HD2 HIS A 82 10.229 -11.444 -8.889 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.704 -7.768 -7.478 1.00 0.00 H new ATOM 1304 N ASP A 83 12.578 -12.471 -6.694 1.00 0.00 N ATOM 1305 CA ASP A 83 13.810 -12.314 -7.521 1.00 0.00 C ATOM 1306 C ASP A 83 15.015 -12.039 -6.614 1.00 0.00 C ATOM 1307 O ASP A 83 16.072 -11.648 -7.070 1.00 0.00 O ATOM 1308 CB ASP A 83 13.622 -11.147 -8.502 1.00 0.00 C ATOM 1309 CG ASP A 83 14.755 -11.150 -9.531 1.00 0.00 C ATOM 1310 OD1 ASP A 83 15.090 -12.220 -10.009 1.00 0.00 O ATOM 1311 OD2 ASP A 83 15.268 -10.081 -9.821 1.00 0.00 O ATOM 0 H ASP A 83 12.060 -13.336 -6.850 1.00 0.00 H new ATOM 0 HA ASP A 83 13.989 -13.233 -8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.660 -11.235 -9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.613 -10.201 -7.960 1.00 0.00 H new ATOM 1316 N GLY A 84 14.864 -12.245 -5.330 1.00 0.00 N ATOM 1317 CA GLY A 84 15.997 -12.005 -4.380 1.00 0.00 C ATOM 1318 C GLY A 84 16.827 -13.283 -4.246 1.00 0.00 C ATOM 1319 O GLY A 84 16.419 -14.231 -3.604 1.00 0.00 O ATOM 0 H GLY A 84 14.001 -12.571 -4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.622 -11.188 -4.741 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.612 -11.705 -3.406 1.00 0.00 H new ATOM 1323 N LEU A 85 17.992 -13.320 -4.844 1.00 0.00 N ATOM 1324 CA LEU A 85 18.854 -14.544 -4.751 1.00 0.00 C ATOM 1325 C LEU A 85 19.701 -14.458 -3.476 1.00 0.00 C ATOM 1326 O LEU A 85 20.416 -15.378 -3.129 1.00 0.00 O ATOM 1327 CB LEU A 85 19.774 -14.613 -5.980 1.00 0.00 C ATOM 1328 CG LEU A 85 18.964 -14.406 -7.269 1.00 0.00 C ATOM 1329 CD1 LEU A 85 19.911 -14.492 -8.472 1.00 0.00 C ATOM 1330 CD2 LEU A 85 17.865 -15.481 -7.392 1.00 0.00 C ATOM 0 H LEU A 85 18.386 -12.556 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 85 18.231 -15.438 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 85 20.550 -13.851 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 85 20.278 -15.579 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 85 18.487 -13.426 -7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 85 19.345 -14.346 -9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 85 20.675 -13.719 -8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.387 -15.472 -8.491 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.300 -15.320 -8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 85 18.324 -16.469 -7.416 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.193 -15.414 -6.536 1.00 0.00 H new ATOM 1342 N GLU A 86 19.618 -13.357 -2.778 1.00 0.00 N ATOM 1343 CA GLU A 86 20.406 -13.190 -1.520 1.00 0.00 C ATOM 1344 C GLU A 86 21.888 -13.490 -1.784 1.00 0.00 C ATOM 1345 O GLU A 86 22.632 -12.629 -2.208 1.00 0.00 O ATOM 1346 CB GLU A 86 19.853 -14.134 -0.443 1.00 0.00 C ATOM 1347 CG GLU A 86 20.583 -13.898 0.885 1.00 0.00 C ATOM 1348 CD GLU A 86 19.965 -14.772 1.979 1.00 0.00 C ATOM 1349 OE1 GLU A 86 19.202 -15.666 1.642 1.00 0.00 O ATOM 1350 OE2 GLU A 86 20.264 -14.535 3.137 1.00 0.00 O ATOM 0 H GLU A 86 19.033 -12.559 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 86 20.319 -12.161 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.784 -13.966 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.978 -15.170 -0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.642 -14.132 0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.516 -12.847 1.165 1.00 0.00 H new ATOM 1357 N HIS A 87 22.329 -14.698 -1.524 1.00 0.00 N ATOM 1358 CA HIS A 87 23.768 -15.043 -1.751 1.00 0.00 C ATOM 1359 C HIS A 87 24.661 -13.999 -1.067 1.00 0.00 C ATOM 1360 O HIS A 87 24.956 -12.961 -1.626 1.00 0.00 O ATOM 1361 CB HIS A 87 24.068 -15.076 -3.259 1.00 0.00 C ATOM 1362 CG HIS A 87 23.449 -16.301 -3.880 1.00 0.00 C ATOM 1363 ND1 HIS A 87 22.243 -16.258 -4.565 1.00 0.00 N ATOM 1364 CD2 HIS A 87 23.859 -17.610 -3.925 1.00 0.00 C ATOM 1365 CE1 HIS A 87 21.974 -17.507 -4.988 1.00 0.00 C ATOM 1366 NE2 HIS A 87 22.926 -18.370 -4.624 1.00 0.00 N ATOM 0 H HIS A 87 21.754 -15.460 -1.164 1.00 0.00 H new ATOM 0 HA HIS A 87 23.972 -16.026 -1.327 1.00 0.00 H new ATOM 0 HB2 HIS A 87 23.675 -14.178 -3.736 1.00 0.00 H new ATOM 0 HB3 HIS A 87 25.145 -15.079 -3.424 1.00 0.00 H new ATOM 0 HD2 HIS A 87 24.768 -17.992 -3.485 1.00 0.00 H new ATOM 0 HE1 HIS A 87 21.095 -17.779 -5.553 1.00 0.00 H new ATOM 0 HE2 HIS A 87 22.962 -19.371 -4.817 1.00 0.00 H new ATOM 1374 N HIS A 88 25.092 -14.266 0.135 1.00 0.00 N ATOM 1375 CA HIS A 88 25.962 -13.288 0.844 1.00 0.00 C ATOM 1376 C HIS A 88 27.296 -13.179 0.104 1.00 0.00 C ATOM 1377 O HIS A 88 27.886 -14.169 -0.282 1.00 0.00 O ATOM 1378 CB HIS A 88 26.209 -13.768 2.276 1.00 0.00 C ATOM 1379 CG HIS A 88 24.903 -13.837 3.018 1.00 0.00 C ATOM 1380 ND1 HIS A 88 24.176 -12.701 3.346 1.00 0.00 N ATOM 1381 CD2 HIS A 88 24.180 -14.896 3.507 1.00 0.00 C ATOM 1382 CE1 HIS A 88 23.073 -13.101 4.004 1.00 0.00 C ATOM 1383 NE2 HIS A 88 23.026 -14.431 4.129 1.00 0.00 N ATOM 0 H HIS A 88 24.880 -15.117 0.655 1.00 0.00 H new ATOM 0 HA HIS A 88 25.475 -12.313 0.870 1.00 0.00 H new ATOM 0 HB2 HIS A 88 26.684 -14.749 2.264 1.00 0.00 H new ATOM 0 HB3 HIS A 88 26.892 -13.088 2.785 1.00 0.00 H new ATOM 0 HD2 HIS A 88 24.464 -15.934 3.422 1.00 0.00 H new ATOM 0 HE1 HIS A 88 22.318 -12.430 4.385 1.00 0.00 H new ATOM 0 HE2 HIS A 88 22.300 -14.986 4.583 1.00 0.00 H new ATOM 1391 N HIS A 89 27.773 -11.982 -0.105 1.00 0.00 N ATOM 1392 CA HIS A 89 29.064 -11.811 -0.828 1.00 0.00 C ATOM 1393 C HIS A 89 30.199 -12.421 -0.001 1.00 0.00 C ATOM 1394 O HIS A 89 31.075 -13.081 -0.524 1.00 0.00 O ATOM 1395 CB HIS A 89 29.331 -10.321 -1.048 1.00 0.00 C ATOM 1396 CG HIS A 89 30.613 -10.144 -1.814 1.00 0.00 C ATOM 1397 ND1 HIS A 89 30.704 -10.412 -3.171 1.00 0.00 N ATOM 1398 CD2 HIS A 89 31.865 -9.734 -1.428 1.00 0.00 C ATOM 1399 CE1 HIS A 89 31.970 -10.161 -3.550 1.00 0.00 C ATOM 1400 NE2 HIS A 89 32.721 -9.746 -2.525 1.00 0.00 N ATOM 0 H HIS A 89 27.324 -11.116 0.194 1.00 0.00 H new ATOM 0 HA HIS A 89 29.010 -12.315 -1.793 1.00 0.00 H new ATOM 0 HB2 HIS A 89 28.503 -9.870 -1.596 1.00 0.00 H new ATOM 0 HB3 HIS A 89 29.395 -9.808 -0.089 1.00 0.00 H new ATOM 0 HD2 HIS A 89 32.143 -9.446 -0.425 1.00 0.00 H new ATOM 0 HE1 HIS A 89 32.335 -10.280 -4.559 1.00 0.00 H new ATOM 0 HE2 HIS A 89 33.709 -9.493 -2.543 1.00 0.00 H new ATOM 1408 N HIS A 90 30.193 -12.200 1.288 1.00 0.00 N ATOM 1409 CA HIS A 90 31.274 -12.761 2.162 1.00 0.00 C ATOM 1410 C HIS A 90 30.846 -14.134 2.686 1.00 0.00 C ATOM 1411 O HIS A 90 30.017 -14.243 3.569 1.00 0.00 O ATOM 1412 CB HIS A 90 31.498 -11.817 3.345 1.00 0.00 C ATOM 1413 CG HIS A 90 32.005 -10.496 2.840 1.00 0.00 C ATOM 1414 ND1 HIS A 90 31.151 -9.458 2.501 1.00 0.00 N ATOM 1415 CD2 HIS A 90 33.275 -10.029 2.606 1.00 0.00 C ATOM 1416 CE1 HIS A 90 31.910 -8.428 2.086 1.00 0.00 C ATOM 1417 NE2 HIS A 90 33.212 -8.722 2.131 1.00 0.00 N ATOM 0 H HIS A 90 29.484 -11.653 1.777 1.00 0.00 H new ATOM 0 HA HIS A 90 32.195 -12.863 1.588 1.00 0.00 H new ATOM 0 HB2 HIS A 90 30.567 -11.676 3.893 1.00 0.00 H new ATOM 0 HB3 HIS A 90 32.215 -12.252 4.041 1.00 0.00 H new ATOM 0 HD2 HIS A 90 34.184 -10.590 2.766 1.00 0.00 H new ATOM 0 HE1 HIS A 90 31.515 -7.479 1.756 1.00 0.00 H new ATOM 0 HE2 HIS A 90 33.993 -8.118 1.873 1.00 0.00 H new ATOM 1425 N HIS A 91 31.414 -15.183 2.153 1.00 0.00 N ATOM 1426 CA HIS A 91 31.051 -16.553 2.621 1.00 0.00 C ATOM 1427 C HIS A 91 32.048 -17.563 2.051 1.00 0.00 C ATOM 1428 O HIS A 91 32.428 -18.515 2.704 1.00 0.00 O ATOM 1429 CB HIS A 91 29.636 -16.902 2.152 1.00 0.00 C ATOM 1430 CG HIS A 91 29.257 -18.261 2.674 1.00 0.00 C ATOM 1431 ND1 HIS A 91 28.894 -18.467 3.994 1.00 0.00 N ATOM 1432 CD2 HIS A 91 29.183 -19.489 2.066 1.00 0.00 C ATOM 1433 CE1 HIS A 91 28.620 -19.777 4.139 1.00 0.00 C ATOM 1434 NE2 HIS A 91 28.781 -20.446 2.994 1.00 0.00 N ATOM 0 H HIS A 91 32.115 -15.150 1.413 1.00 0.00 H new ATOM 0 HA HIS A 91 31.083 -16.585 3.710 1.00 0.00 H new ATOM 0 HB2 HIS A 91 28.928 -16.153 2.508 1.00 0.00 H new ATOM 0 HB3 HIS A 91 29.589 -16.893 1.063 1.00 0.00 H new ATOM 0 HD2 HIS A 91 29.403 -19.683 1.027 1.00 0.00 H new ATOM 0 HE1 HIS A 91 28.308 -20.232 5.068 1.00 0.00 H new ATOM 0 HE2 HIS A 91 28.640 -21.443 2.834 1.00 0.00 H new ATOM 1442 N HIS A 92 32.473 -17.360 0.837 1.00 0.00 N ATOM 1443 CA HIS A 92 33.443 -18.303 0.215 1.00 0.00 C ATOM 1444 C HIS A 92 34.788 -18.203 0.941 1.00 0.00 C ATOM 1445 O HIS A 92 35.157 -17.102 1.316 1.00 0.00 O ATOM 1446 CB HIS A 92 33.630 -17.941 -1.260 1.00 0.00 C ATOM 1447 CG HIS A 92 32.320 -18.088 -1.982 1.00 0.00 C ATOM 1448 ND1 HIS A 92 31.821 -19.323 -2.368 1.00 0.00 N ATOM 1449 CD2 HIS A 92 31.392 -17.163 -2.394 1.00 0.00 C ATOM 1450 CE1 HIS A 92 30.641 -19.110 -2.980 1.00 0.00 C ATOM 1451 NE2 HIS A 92 30.333 -17.812 -3.023 1.00 0.00 N ATOM 1452 OXT HIS A 92 35.425 -19.230 1.111 1.00 0.00 O ATOM 0 H HIS A 92 32.190 -16.579 0.246 1.00 0.00 H new ATOM 0 HA HIS A 92 33.063 -19.322 0.294 1.00 0.00 H new ATOM 0 HB2 HIS A 92 33.995 -16.918 -1.351 1.00 0.00 H new ATOM 0 HB3 HIS A 92 34.381 -18.589 -1.712 1.00 0.00 H new ATOM 0 HD2 HIS A 92 31.472 -16.095 -2.252 1.00 0.00 H new ATOM 0 HE1 HIS A 92 30.019 -19.894 -3.387 1.00 0.00 H new ATOM 0 HE2 HIS A 92 29.500 -17.387 -3.430 1.00 0.00 H new TER 1460 HIS A 92