USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 694 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 81 THR OG1 : rot 128:sc= 1.74 USER MOD Set 1.2: A 83 SER OG : rot -89:sc= 0.407 USER MOD Set 2.1: A 32 LYS NZ :NH3+ -108:sc= 1.11 (180deg=0.712) USER MOD Set 2.2: A 65 ASN : amide:sc= 0.994 K(o=2.1,f=-1.5) USER MOD Set 3.1: A 40 GLN : amide:sc= -2.94! K(o=-2.6!,f=-5.2) USER MOD Set 3.2: A 57 ASN : amide:sc= 0.312 K(o=-2.6,f=-7.4!) USER MOD Single : A 1 MET CE :methyl 169:sc= 0 (180deg=-0.125) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.00607 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00211) USER MOD Single : A 10 ASN : amide:sc= 0.279 X(o=0.28,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -137:sc= -1.29 (180deg=-3.72!) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 167:sc= -0.0301 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0.0162 X(o=0.016,f=-0.18) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -76:sc= 1.22 USER MOD Single : A 33 ASN : amide:sc= -0.508 K(o=-0.51,f=-1.3) USER MOD Single : A 37 THR OG1 : rot 55:sc= 1.27 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= 1.42 (180deg=1.28) USER MOD Single : A 42 ASN : amide:sc= 0.683 K(o=0.68,f=-2!) USER MOD Single : A 50 HIS : no HD1:sc= -0.229 X(o=-0.23,f=0.03) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -170:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00264) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.0342 F(o=-2.1!,f=-0.034) USER MOD Single : A 66 CYS SG : rot 180:sc= -0.0159 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 73 TYR OH : rot 157:sc= 0.872 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 79:sc= 0.502 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.0479 X(o=-0.048,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.463 0.402 0.129 1.00 0.00 N ATOM 2 CA MET A 1 3.823 0.698 -0.391 1.00 0.00 C ATOM 3 C MET A 1 4.235 -0.343 -1.457 1.00 0.00 C ATOM 4 O MET A 1 3.985 -1.544 -1.297 1.00 0.00 O ATOM 5 CB MET A 1 4.842 0.734 0.781 1.00 0.00 C ATOM 6 CG MET A 1 6.311 0.885 0.359 1.00 0.00 C ATOM 7 SD MET A 1 6.607 2.352 -0.657 1.00 0.00 S ATOM 8 CE MET A 1 8.331 2.129 -1.108 1.00 0.00 C ATOM 0 H1 MET A 1 2.445 0.551 1.158 1.00 0.00 H new ATOM 0 H2 MET A 1 1.773 1.034 -0.324 1.00 0.00 H new ATOM 0 H3 MET A 1 2.218 -0.586 -0.082 1.00 0.00 H new ATOM 0 HA MET A 1 3.815 1.677 -0.869 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.583 1.560 1.443 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.739 -0.183 1.361 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.936 0.935 1.251 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.617 -0.002 -0.196 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.599 2.844 -1.886 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.960 2.292 -0.233 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.482 1.115 -1.479 1.00 0.00 H new ATOM 20 N LYS A 2 4.871 0.138 -2.547 1.00 0.00 N ATOM 21 CA LYS A 2 5.388 -0.716 -3.630 1.00 0.00 C ATOM 22 C LYS A 2 6.895 -0.969 -3.409 1.00 0.00 C ATOM 23 O LYS A 2 7.728 -0.082 -3.626 1.00 0.00 O ATOM 24 CB LYS A 2 5.084 -0.084 -5.031 1.00 0.00 C ATOM 25 CG LYS A 2 5.476 1.404 -5.189 1.00 0.00 C ATOM 26 CD LYS A 2 5.171 1.962 -6.603 1.00 0.00 C ATOM 27 CE LYS A 2 5.466 3.473 -6.719 1.00 0.00 C ATOM 28 NZ LYS A 2 5.176 4.002 -8.076 1.00 0.00 N ATOM 0 H LYS A 2 5.039 1.133 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 2 4.881 -1.681 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.607 -0.662 -5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.017 -0.184 -5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.940 1.996 -4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.540 1.518 -4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.766 1.421 -7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.124 1.780 -6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.869 4.015 -5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.513 3.656 -6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.389 5.019 -8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.764 3.505 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.171 3.853 -8.299 1.00 0.00 H new ATOM 42 N ASP A 3 7.227 -2.177 -2.914 1.00 0.00 N ATOM 43 CA ASP A 3 8.622 -2.570 -2.595 1.00 0.00 C ATOM 44 C ASP A 3 9.226 -3.463 -3.693 1.00 0.00 C ATOM 45 O ASP A 3 10.450 -3.620 -3.765 1.00 0.00 O ATOM 46 CB ASP A 3 8.677 -3.299 -1.231 1.00 0.00 C ATOM 47 CG ASP A 3 8.171 -2.434 -0.063 1.00 0.00 C ATOM 48 OD1 ASP A 3 8.952 -1.618 0.472 1.00 0.00 O ATOM 49 OD2 ASP A 3 6.988 -2.574 0.332 1.00 0.00 O ATOM 0 H ASP A 3 6.542 -2.908 -2.723 1.00 0.00 H new ATOM 0 HA ASP A 3 9.216 -1.658 -2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.079 -4.208 -1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.704 -3.605 -1.030 1.00 0.00 H new ATOM 54 N SER A 4 8.360 -4.037 -4.552 1.00 0.00 N ATOM 55 CA SER A 4 8.760 -5.045 -5.564 1.00 0.00 C ATOM 56 C SER A 4 9.561 -4.439 -6.738 1.00 0.00 C ATOM 57 O SER A 4 10.193 -5.186 -7.495 1.00 0.00 O ATOM 58 CB SER A 4 7.505 -5.764 -6.100 1.00 0.00 C ATOM 59 OG SER A 4 6.716 -6.267 -5.032 1.00 0.00 O ATOM 0 H SER A 4 7.364 -3.818 -4.567 1.00 0.00 H new ATOM 0 HA SER A 4 9.421 -5.754 -5.066 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.914 -5.073 -6.701 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.802 -6.583 -6.756 1.00 0.00 H new ATOM 0 HG SER A 4 5.925 -6.718 -5.394 1.00 0.00 H new ATOM 65 N ASP A 5 9.545 -3.088 -6.861 1.00 0.00 N ATOM 66 CA ASP A 5 10.243 -2.326 -7.947 1.00 0.00 C ATOM 67 C ASP A 5 11.743 -2.677 -8.042 1.00 0.00 C ATOM 68 O ASP A 5 12.359 -2.518 -9.108 1.00 0.00 O ATOM 69 CB ASP A 5 10.096 -0.792 -7.729 1.00 0.00 C ATOM 70 CG ASP A 5 8.635 -0.334 -7.665 1.00 0.00 C ATOM 71 OD1 ASP A 5 7.968 -0.622 -6.654 1.00 0.00 O ATOM 72 OD2 ASP A 5 8.141 0.294 -8.630 1.00 0.00 O ATOM 0 H ASP A 5 9.045 -2.485 -6.208 1.00 0.00 H new ATOM 0 HA ASP A 5 9.764 -2.617 -8.882 1.00 0.00 H new ATOM 0 HB2 ASP A 5 10.600 -0.512 -6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.601 -0.265 -8.539 1.00 0.00 H new ATOM 77 N LYS A 6 12.300 -3.136 -6.909 1.00 0.00 N ATOM 78 CA LYS A 6 13.704 -3.568 -6.784 1.00 0.00 C ATOM 79 C LYS A 6 14.071 -4.663 -7.823 1.00 0.00 C ATOM 80 O LYS A 6 15.138 -4.599 -8.449 1.00 0.00 O ATOM 81 CB LYS A 6 13.953 -4.075 -5.332 1.00 0.00 C ATOM 82 CG LYS A 6 13.761 -3.006 -4.207 1.00 0.00 C ATOM 83 CD LYS A 6 15.064 -2.252 -3.802 1.00 0.00 C ATOM 84 CE LYS A 6 15.662 -1.367 -4.911 1.00 0.00 C ATOM 85 NZ LYS A 6 16.913 -0.692 -4.478 1.00 0.00 N ATOM 0 H LYS A 6 11.778 -3.219 -6.037 1.00 0.00 H new ATOM 0 HA LYS A 6 14.349 -2.714 -6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.279 -4.909 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.969 -4.464 -5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.022 -2.276 -4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.351 -3.496 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.853 -1.630 -2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.812 -2.984 -3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.867 -1.978 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.930 -0.616 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.279 -0.108 -5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.715 -0.088 -3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.622 -1.408 -4.219 1.00 0.00 H new ATOM 99 N GLU A 7 13.183 -5.657 -7.993 1.00 0.00 N ATOM 100 CA GLU A 7 13.371 -6.768 -8.966 1.00 0.00 C ATOM 101 C GLU A 7 12.303 -6.723 -10.088 1.00 0.00 C ATOM 102 O GLU A 7 12.257 -7.612 -10.947 1.00 0.00 O ATOM 103 CB GLU A 7 13.336 -8.130 -8.214 1.00 0.00 C ATOM 104 CG GLU A 7 14.468 -8.301 -7.176 1.00 0.00 C ATOM 105 CD GLU A 7 14.341 -9.575 -6.326 1.00 0.00 C ATOM 106 OE1 GLU A 7 14.854 -10.637 -6.741 1.00 0.00 O ATOM 107 OE2 GLU A 7 13.726 -9.516 -5.230 1.00 0.00 O ATOM 0 H GLU A 7 12.313 -5.721 -7.465 1.00 0.00 H new ATOM 0 HA GLU A 7 14.343 -6.652 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.375 -8.231 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.399 -8.938 -8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.426 -8.316 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.477 -7.434 -6.516 1.00 0.00 H new ATOM 114 N LYS A 8 11.465 -5.669 -10.069 1.00 0.00 N ATOM 115 CA LYS A 8 10.423 -5.413 -11.080 1.00 0.00 C ATOM 116 C LYS A 8 10.643 -3.986 -11.629 1.00 0.00 C ATOM 117 O LYS A 8 9.996 -3.020 -11.192 1.00 0.00 O ATOM 118 CB LYS A 8 9.002 -5.575 -10.440 1.00 0.00 C ATOM 119 CG LYS A 8 7.803 -5.374 -11.400 1.00 0.00 C ATOM 120 CD LYS A 8 6.443 -5.257 -10.658 1.00 0.00 C ATOM 121 CE LYS A 8 6.057 -6.524 -9.868 1.00 0.00 C ATOM 122 NZ LYS A 8 5.837 -7.695 -10.756 1.00 0.00 N ATOM 0 H LYS A 8 11.494 -4.959 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 8 10.487 -6.130 -11.899 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.932 -6.572 -10.005 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.910 -4.862 -9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.966 -4.473 -11.992 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.759 -6.210 -12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.485 -4.411 -9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.660 -5.040 -11.385 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.844 -6.757 -9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.151 -6.330 -9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.563 -8.519 -10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.080 -7.478 -11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.714 -7.909 -11.272 1.00 0.00 H new ATOM 136 N GLU A 9 11.640 -3.852 -12.527 1.00 0.00 N ATOM 137 CA GLU A 9 12.011 -2.552 -13.117 1.00 0.00 C ATOM 138 C GLU A 9 10.926 -2.082 -14.101 1.00 0.00 C ATOM 139 O GLU A 9 10.450 -2.862 -14.933 1.00 0.00 O ATOM 140 CB GLU A 9 13.394 -2.632 -13.818 1.00 0.00 C ATOM 141 CG GLU A 9 13.918 -1.297 -14.398 1.00 0.00 C ATOM 142 CD GLU A 9 14.122 -0.208 -13.324 1.00 0.00 C ATOM 143 OE1 GLU A 9 15.200 -0.178 -12.691 1.00 0.00 O ATOM 144 OE2 GLU A 9 13.197 0.606 -13.097 1.00 0.00 O ATOM 0 H GLU A 9 12.205 -4.633 -12.860 1.00 0.00 H new ATOM 0 HA GLU A 9 12.088 -1.821 -12.312 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.124 -3.010 -13.103 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.332 -3.361 -14.626 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.864 -1.476 -14.909 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.215 -0.933 -15.147 1.00 0.00 H new ATOM 151 N ASN A 10 10.542 -0.806 -13.974 1.00 0.00 N ATOM 152 CA ASN A 10 9.491 -0.185 -14.801 1.00 0.00 C ATOM 153 C ASN A 10 10.115 0.373 -16.081 1.00 0.00 C ATOM 154 O ASN A 10 11.308 0.697 -16.105 1.00 0.00 O ATOM 155 CB ASN A 10 8.745 0.923 -14.009 1.00 0.00 C ATOM 156 CG ASN A 10 8.076 0.394 -12.738 1.00 0.00 C ATOM 157 OD1 ASN A 10 6.950 -0.101 -12.777 1.00 0.00 O ATOM 158 ND2 ASN A 10 8.756 0.502 -11.603 1.00 0.00 N ATOM 0 H ASN A 10 10.952 -0.168 -13.291 1.00 0.00 H new ATOM 0 HA ASN A 10 8.754 -0.941 -15.070 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.450 1.710 -13.742 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.989 1.376 -14.651 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.347 0.170 -10.730 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.688 0.917 -11.604 1.00 0.00 H new ATOM 165 N GLY A 11 9.309 0.487 -17.141 1.00 0.00 N ATOM 166 CA GLY A 11 9.826 0.821 -18.465 1.00 0.00 C ATOM 167 C GLY A 11 9.909 -0.404 -19.356 1.00 0.00 C ATOM 168 O GLY A 11 10.923 -0.628 -20.022 1.00 0.00 O ATOM 0 H GLY A 11 8.299 0.353 -17.105 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.182 1.567 -18.930 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.815 1.269 -18.368 1.00 0.00 H new ATOM 172 N LYS A 12 8.851 -1.243 -19.288 1.00 0.00 N ATOM 173 CA LYS A 12 8.701 -2.428 -20.146 1.00 0.00 C ATOM 174 C LYS A 12 8.534 -2.003 -21.620 1.00 0.00 C ATOM 175 O LYS A 12 7.420 -1.783 -22.112 1.00 0.00 O ATOM 176 CB LYS A 12 7.498 -3.298 -19.674 1.00 0.00 C ATOM 177 CG LYS A 12 7.641 -3.873 -18.243 1.00 0.00 C ATOM 178 CD LYS A 12 6.474 -4.810 -17.819 1.00 0.00 C ATOM 179 CE LYS A 12 6.409 -6.152 -18.597 1.00 0.00 C ATOM 180 NZ LYS A 12 5.990 -5.995 -20.020 1.00 0.00 N ATOM 0 H LYS A 12 8.079 -1.113 -18.634 1.00 0.00 H new ATOM 0 HA LYS A 12 9.603 -3.034 -20.066 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.591 -2.696 -19.721 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.368 -4.125 -20.372 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.579 -4.424 -18.176 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.706 -3.047 -17.535 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.567 -5.026 -16.755 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.531 -4.280 -17.955 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.389 -6.629 -18.565 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.712 -6.822 -18.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.308 -6.741 -20.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.547 -5.063 -20.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.823 -6.072 -20.638 1.00 0.00 H new ATOM 194 N MET A 13 9.686 -1.842 -22.276 1.00 0.00 N ATOM 195 CA MET A 13 9.803 -1.458 -23.686 1.00 0.00 C ATOM 196 C MET A 13 10.871 -2.340 -24.332 1.00 0.00 C ATOM 197 O MET A 13 11.803 -2.772 -23.651 1.00 0.00 O ATOM 198 CB MET A 13 10.222 0.039 -23.837 1.00 0.00 C ATOM 199 CG MET A 13 11.482 0.444 -23.028 1.00 0.00 C ATOM 200 SD MET A 13 12.530 1.664 -23.860 1.00 0.00 S ATOM 201 CE MET A 13 13.354 0.651 -25.095 1.00 0.00 C ATOM 0 H MET A 13 10.591 -1.979 -21.827 1.00 0.00 H new ATOM 0 HA MET A 13 8.835 -1.588 -24.169 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.402 0.247 -24.892 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.389 0.669 -23.525 1.00 0.00 H new ATOM 0 HG2 MET A 13 11.169 0.846 -22.064 1.00 0.00 H new ATOM 0 HG3 MET A 13 12.073 -0.449 -22.824 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.031 1.272 -25.682 1.00 0.00 H new ATOM 0 HE2 MET A 13 13.921 -0.137 -24.600 1.00 0.00 H new ATOM 0 HE3 MET A 13 12.610 0.203 -25.754 1.00 0.00 H new ATOM 211 N GLY A 14 10.703 -2.615 -25.627 1.00 0.00 N ATOM 212 CA GLY A 14 11.748 -3.227 -26.443 1.00 0.00 C ATOM 213 C GLY A 14 12.082 -4.677 -26.111 1.00 0.00 C ATOM 214 O GLY A 14 13.203 -5.128 -26.362 1.00 0.00 O ATOM 0 H GLY A 14 9.841 -2.420 -26.136 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.445 -3.174 -27.489 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.656 -2.632 -26.344 1.00 0.00 H new ATOM 218 N CYS A 15 11.121 -5.414 -25.553 1.00 0.00 N ATOM 219 CA CYS A 15 11.281 -6.851 -25.294 1.00 0.00 C ATOM 220 C CYS A 15 10.915 -7.643 -26.575 1.00 0.00 C ATOM 221 O CYS A 15 9.812 -8.194 -26.699 1.00 0.00 O ATOM 222 CB CYS A 15 10.424 -7.255 -24.071 1.00 0.00 C ATOM 223 SG CYS A 15 8.674 -6.829 -24.217 1.00 0.00 S ATOM 0 H CYS A 15 10.216 -5.039 -25.269 1.00 0.00 H new ATOM 0 HA CYS A 15 12.316 -7.088 -25.050 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.513 -8.331 -23.919 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.830 -6.773 -23.182 1.00 0.00 H new ATOM 0 HG CYS A 15 7.998 -7.447 -23.294 1.00 0.00 H new ATOM 229 N TRP A 16 11.846 -7.631 -27.558 1.00 0.00 N ATOM 230 CA TRP A 16 11.634 -8.243 -28.890 1.00 0.00 C ATOM 231 C TRP A 16 12.098 -9.714 -28.896 1.00 0.00 C ATOM 232 O TRP A 16 12.828 -10.155 -27.997 1.00 0.00 O ATOM 233 CB TRP A 16 12.421 -7.472 -29.996 1.00 0.00 C ATOM 234 CG TRP A 16 12.304 -5.963 -29.944 1.00 0.00 C ATOM 235 CD1 TRP A 16 11.208 -5.202 -30.245 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.338 -5.033 -29.577 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.497 -3.874 -30.075 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.796 -3.745 -29.665 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.669 -5.169 -29.182 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.534 -2.597 -29.367 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.394 -4.033 -28.878 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.827 -2.762 -28.974 1.00 0.00 C ATOM 0 H TRP A 16 12.763 -7.198 -27.450 1.00 0.00 H new ATOM 0 HA TRP A 16 10.566 -8.191 -29.101 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.475 -7.741 -29.922 1.00 0.00 H new ATOM 0 HB3 TRP A 16 12.073 -7.813 -30.971 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.254 -5.591 -30.569 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.847 -3.103 -30.230 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.125 -6.146 -29.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 13.095 -1.614 -29.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.421 -4.131 -28.559 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.424 -1.895 -28.733 1.00 0.00 H new ATOM 253 N SER A 17 11.665 -10.460 -29.930 1.00 0.00 N ATOM 254 CA SER A 17 12.245 -11.770 -30.272 1.00 0.00 C ATOM 255 C SER A 17 13.564 -11.562 -31.048 1.00 0.00 C ATOM 256 O SER A 17 13.763 -10.498 -31.655 1.00 0.00 O ATOM 257 CB SER A 17 11.237 -12.590 -31.114 1.00 0.00 C ATOM 258 OG SER A 17 10.019 -12.788 -30.407 1.00 0.00 O ATOM 0 H SER A 17 10.907 -10.172 -30.548 1.00 0.00 H new ATOM 0 HA SER A 17 12.459 -12.325 -29.359 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.036 -12.072 -32.052 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.673 -13.556 -31.370 1.00 0.00 H new ATOM 0 HG SER A 17 9.400 -13.307 -30.961 1.00 0.00 H new ATOM 264 N ILE A 18 14.449 -12.576 -31.034 1.00 0.00 N ATOM 265 CA ILE A 18 15.767 -12.500 -31.709 1.00 0.00 C ATOM 266 C ILE A 18 15.600 -12.264 -33.229 1.00 0.00 C ATOM 267 O ILE A 18 16.312 -11.449 -33.817 1.00 0.00 O ATOM 268 CB ILE A 18 16.626 -13.805 -31.477 1.00 0.00 C ATOM 269 CG1 ILE A 18 16.839 -14.085 -29.949 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.980 -13.750 -32.246 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.525 -12.981 -29.171 1.00 0.00 C ATOM 0 H ILE A 18 14.278 -13.464 -30.561 1.00 0.00 H new ATOM 0 HA ILE A 18 16.295 -11.655 -31.266 1.00 0.00 H new ATOM 0 HB ILE A 18 16.061 -14.642 -31.887 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.867 -14.276 -29.494 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.425 -14.998 -29.843 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.541 -14.666 -32.060 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.788 -13.652 -33.314 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.559 -12.893 -31.902 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.622 -13.278 -28.127 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.515 -12.801 -29.590 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.933 -12.068 -29.235 1.00 0.00 H new ATOM 283 N GLU A 19 14.634 -12.976 -33.839 1.00 0.00 N ATOM 284 CA GLU A 19 14.338 -12.848 -35.276 1.00 0.00 C ATOM 285 C GLU A 19 13.750 -11.471 -35.613 1.00 0.00 C ATOM 286 O GLU A 19 14.011 -10.937 -36.691 1.00 0.00 O ATOM 287 CB GLU A 19 13.409 -13.986 -35.751 1.00 0.00 C ATOM 288 CG GLU A 19 14.083 -15.367 -35.786 1.00 0.00 C ATOM 289 CD GLU A 19 13.170 -16.472 -36.355 1.00 0.00 C ATOM 290 OE1 GLU A 19 12.221 -16.889 -35.654 1.00 0.00 O ATOM 291 OE2 GLU A 19 13.394 -16.923 -37.498 1.00 0.00 O ATOM 0 H GLU A 19 14.042 -13.650 -33.354 1.00 0.00 H new ATOM 0 HA GLU A 19 15.281 -12.936 -35.816 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.542 -14.033 -35.092 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.039 -13.748 -36.748 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.989 -15.307 -36.388 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.389 -15.641 -34.776 1.00 0.00 H new ATOM 298 N HIS A 20 12.980 -10.882 -34.679 1.00 0.00 N ATOM 299 CA HIS A 20 12.431 -9.520 -34.861 1.00 0.00 C ATOM 300 C HIS A 20 13.591 -8.514 -34.930 1.00 0.00 C ATOM 301 O HIS A 20 13.617 -7.648 -35.798 1.00 0.00 O ATOM 302 CB HIS A 20 11.459 -9.139 -33.715 1.00 0.00 C ATOM 303 CG HIS A 20 10.721 -7.842 -33.951 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.482 -7.785 -34.557 1.00 0.00 N ATOM 305 CD2 HIS A 20 11.058 -6.551 -33.686 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.095 -6.529 -34.655 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.030 -5.761 -34.133 1.00 0.00 N ATOM 0 H HIS A 20 12.724 -11.322 -33.795 1.00 0.00 H new ATOM 0 HA HIS A 20 11.863 -9.497 -35.791 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.733 -9.941 -33.584 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.021 -9.063 -32.784 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.967 -6.211 -33.212 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.168 -6.187 -35.090 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.995 -4.743 -34.071 1.00 0.00 H new ATOM 316 N VAL A 21 14.554 -8.683 -34.014 1.00 0.00 N ATOM 317 CA VAL A 21 15.771 -7.865 -33.955 1.00 0.00 C ATOM 318 C VAL A 21 16.541 -7.955 -35.290 1.00 0.00 C ATOM 319 O VAL A 21 16.614 -6.974 -36.010 1.00 0.00 O ATOM 320 CB VAL A 21 16.674 -8.311 -32.741 1.00 0.00 C ATOM 321 CG1 VAL A 21 18.097 -7.700 -32.795 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.979 -7.969 -31.402 1.00 0.00 C ATOM 0 H VAL A 21 14.509 -9.397 -33.287 1.00 0.00 H new ATOM 0 HA VAL A 21 15.490 -6.823 -33.798 1.00 0.00 H new ATOM 0 HB VAL A 21 16.798 -9.391 -32.815 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.673 -8.042 -31.935 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.594 -8.015 -33.713 1.00 0.00 H new ATOM 0 HG13 VAL A 21 18.027 -6.612 -32.776 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.613 -8.282 -30.573 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.810 -6.894 -31.344 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.023 -8.490 -31.345 1.00 0.00 H new ATOM 332 N GLU A 22 17.010 -9.166 -35.641 1.00 0.00 N ATOM 333 CA GLU A 22 17.937 -9.381 -36.771 1.00 0.00 C ATOM 334 C GLU A 22 17.323 -8.980 -38.126 1.00 0.00 C ATOM 335 O GLU A 22 17.989 -8.339 -38.944 1.00 0.00 O ATOM 336 CB GLU A 22 18.428 -10.857 -36.815 1.00 0.00 C ATOM 337 CG GLU A 22 17.338 -11.920 -37.059 1.00 0.00 C ATOM 338 CD GLU A 22 17.869 -13.360 -37.101 1.00 0.00 C ATOM 339 OE1 GLU A 22 18.138 -13.935 -36.024 1.00 0.00 O ATOM 340 OE2 GLU A 22 18.026 -13.921 -38.207 1.00 0.00 O ATOM 0 H GLU A 22 16.758 -10.024 -35.150 1.00 0.00 H new ATOM 0 HA GLU A 22 18.792 -8.728 -36.599 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.179 -10.947 -37.600 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.925 -11.083 -35.871 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.587 -11.843 -36.272 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.836 -11.701 -38.001 1.00 0.00 H new ATOM 347 N GLN A 23 16.041 -9.329 -38.333 1.00 0.00 N ATOM 348 CA GLN A 23 15.364 -9.136 -39.626 1.00 0.00 C ATOM 349 C GLN A 23 14.934 -7.676 -39.818 1.00 0.00 C ATOM 350 O GLN A 23 15.032 -7.144 -40.930 1.00 0.00 O ATOM 351 CB GLN A 23 14.147 -10.094 -39.750 1.00 0.00 C ATOM 352 CG GLN A 23 14.523 -11.597 -39.742 1.00 0.00 C ATOM 353 CD GLN A 23 15.512 -12.019 -40.846 1.00 0.00 C ATOM 354 OE1 GLN A 23 15.514 -11.469 -41.951 1.00 0.00 O ATOM 355 NE2 GLN A 23 16.369 -12.992 -40.550 1.00 0.00 N ATOM 0 H GLN A 23 15.450 -9.749 -37.615 1.00 0.00 H new ATOM 0 HA GLN A 23 16.074 -9.376 -40.418 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.459 -9.898 -38.928 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.613 -9.869 -40.673 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.955 -11.844 -38.772 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.612 -12.186 -39.845 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.346 -13.429 -39.629 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.050 -13.301 -41.244 1.00 0.00 H new ATOM 364 N TYR A 24 14.472 -7.034 -38.731 1.00 0.00 N ATOM 365 CA TYR A 24 13.975 -5.643 -38.785 1.00 0.00 C ATOM 366 C TYR A 24 15.113 -4.626 -38.520 1.00 0.00 C ATOM 367 O TYR A 24 14.889 -3.431 -38.681 1.00 0.00 O ATOM 368 CB TYR A 24 12.801 -5.432 -37.779 1.00 0.00 C ATOM 369 CG TYR A 24 11.504 -6.229 -38.048 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.515 -7.614 -38.245 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.257 -5.592 -38.078 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.349 -8.322 -38.471 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.091 -6.297 -38.301 1.00 0.00 C ATOM 374 CZ TYR A 24 9.139 -7.662 -38.496 1.00 0.00 C ATOM 375 OH TYR A 24 7.971 -8.368 -38.715 1.00 0.00 O ATOM 0 H TYR A 24 14.431 -7.454 -37.803 1.00 0.00 H new ATOM 0 HA TYR A 24 13.598 -5.466 -39.793 1.00 0.00 H new ATOM 0 HB2 TYR A 24 13.157 -5.689 -36.781 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.552 -4.371 -37.765 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.456 -8.143 -38.220 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.206 -4.524 -37.923 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.386 -9.390 -38.628 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.143 -5.781 -38.323 1.00 0.00 H new ATOM 0 HH TYR A 24 7.209 -7.752 -38.700 1.00 0.00 H new ATOM 385 N LEU A 25 16.322 -5.089 -38.114 1.00 0.00 N ATOM 386 CA LEU A 25 17.488 -4.193 -37.874 1.00 0.00 C ATOM 387 C LEU A 25 17.887 -3.431 -39.157 1.00 0.00 C ATOM 388 O LEU A 25 18.278 -4.040 -40.160 1.00 0.00 O ATOM 389 CB LEU A 25 18.718 -4.975 -37.284 1.00 0.00 C ATOM 390 CG LEU A 25 18.939 -4.830 -35.741 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.126 -5.678 -35.263 1.00 0.00 C ATOM 392 CD2 LEU A 25 19.125 -3.352 -35.336 1.00 0.00 C ATOM 0 H LEU A 25 16.518 -6.076 -37.945 1.00 0.00 H new ATOM 0 HA LEU A 25 17.176 -3.461 -37.129 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.598 -6.033 -37.517 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.619 -4.636 -37.795 1.00 0.00 H new ATOM 0 HG LEU A 25 18.041 -5.203 -35.249 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.252 -5.554 -34.187 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.937 -6.728 -35.488 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.033 -5.355 -35.774 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.276 -3.286 -34.259 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.994 -2.940 -35.850 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.237 -2.784 -35.613 1.00 0.00 H new ATOM 404 N GLY A 26 17.767 -2.090 -39.093 1.00 0.00 N ATOM 405 CA GLY A 26 18.105 -1.200 -40.206 1.00 0.00 C ATOM 406 C GLY A 26 16.873 -0.544 -40.831 1.00 0.00 C ATOM 407 O GLY A 26 17.003 0.450 -41.562 1.00 0.00 O ATOM 0 H GLY A 26 17.432 -1.599 -38.264 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.785 -0.425 -39.853 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.637 -1.766 -40.970 1.00 0.00 H new ATOM 411 N THR A 27 15.673 -1.087 -40.525 1.00 0.00 N ATOM 412 CA THR A 27 14.400 -0.594 -41.096 1.00 0.00 C ATOM 413 C THR A 27 13.807 0.524 -40.227 1.00 0.00 C ATOM 414 O THR A 27 14.351 0.861 -39.170 1.00 0.00 O ATOM 415 CB THR A 27 13.346 -1.748 -41.252 1.00 0.00 C ATOM 416 OG1 THR A 27 12.822 -2.141 -39.967 1.00 0.00 O ATOM 417 CG2 THR A 27 13.948 -2.980 -41.952 1.00 0.00 C ATOM 0 H THR A 27 15.560 -1.871 -39.882 1.00 0.00 H new ATOM 0 HA THR A 27 14.629 -0.200 -42.086 1.00 0.00 H new ATOM 0 HB THR A 27 12.538 -1.357 -41.871 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.483 -2.692 -39.499 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.188 -3.756 -42.041 1.00 0.00 H new ATOM 0 HG22 THR A 27 14.298 -2.699 -42.945 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.786 -3.358 -41.366 1.00 0.00 H new ATOM 425 N ASP A 28 12.683 1.092 -40.692 1.00 0.00 N ATOM 426 CA ASP A 28 11.940 2.125 -39.952 1.00 0.00 C ATOM 427 C ASP A 28 11.321 1.546 -38.659 1.00 0.00 C ATOM 428 O ASP A 28 11.271 2.228 -37.631 1.00 0.00 O ATOM 429 CB ASP A 28 10.835 2.726 -40.855 1.00 0.00 C ATOM 430 CG ASP A 28 10.068 3.890 -40.193 1.00 0.00 C ATOM 431 OD1 ASP A 28 10.590 5.026 -40.175 1.00 0.00 O ATOM 432 OD2 ASP A 28 8.936 3.680 -39.692 1.00 0.00 O ATOM 0 H ASP A 28 12.264 0.849 -41.590 1.00 0.00 H new ATOM 0 HA ASP A 28 12.637 2.913 -39.666 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.286 3.079 -41.782 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.128 1.941 -41.123 1.00 0.00 H new ATOM 437 N GLU A 29 10.870 0.275 -38.734 1.00 0.00 N ATOM 438 CA GLU A 29 10.194 -0.416 -37.615 1.00 0.00 C ATOM 439 C GLU A 29 11.168 -0.669 -36.444 1.00 0.00 C ATOM 440 O GLU A 29 10.822 -0.445 -35.278 1.00 0.00 O ATOM 441 CB GLU A 29 9.574 -1.756 -38.092 1.00 0.00 C ATOM 442 CG GLU A 29 8.556 -1.616 -39.242 1.00 0.00 C ATOM 443 CD GLU A 29 7.793 -2.918 -39.526 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.786 -3.182 -38.832 1.00 0.00 O ATOM 445 OE2 GLU A 29 8.202 -3.686 -40.420 1.00 0.00 O ATOM 0 H GLU A 29 10.964 -0.300 -39.571 1.00 0.00 H new ATOM 0 HA GLU A 29 9.395 0.234 -37.260 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.377 -2.419 -38.413 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.083 -2.236 -37.246 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.843 -0.829 -38.996 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.078 -1.302 -40.146 1.00 0.00 H new ATOM 452 N LEU A 30 12.390 -1.124 -36.775 1.00 0.00 N ATOM 453 CA LEU A 30 13.455 -1.381 -35.783 1.00 0.00 C ATOM 454 C LEU A 30 14.761 -0.749 -36.309 1.00 0.00 C ATOM 455 O LEU A 30 15.522 -1.401 -37.031 1.00 0.00 O ATOM 456 CB LEU A 30 13.600 -2.924 -35.532 1.00 0.00 C ATOM 457 CG LEU A 30 14.197 -3.419 -34.168 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.674 -3.023 -33.954 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.323 -2.949 -32.999 1.00 0.00 C ATOM 0 H LEU A 30 12.669 -1.324 -37.736 1.00 0.00 H new ATOM 0 HA LEU A 30 13.209 -0.930 -34.821 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.611 -3.369 -35.640 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.221 -3.330 -36.330 1.00 0.00 H new ATOM 0 HG LEU A 30 14.189 -4.508 -34.207 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.016 -3.400 -32.990 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.284 -3.452 -34.749 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.766 -1.937 -33.972 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.751 -3.301 -32.060 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.279 -1.860 -32.992 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.317 -3.352 -33.112 1.00 0.00 H new ATOM 471 N PRO A 31 15.015 0.564 -36.024 1.00 0.00 N ATOM 472 CA PRO A 31 16.311 1.190 -36.347 1.00 0.00 C ATOM 473 C PRO A 31 17.421 0.648 -35.429 1.00 0.00 C ATOM 474 O PRO A 31 17.132 0.136 -34.330 1.00 0.00 O ATOM 475 CB PRO A 31 16.049 2.702 -36.118 1.00 0.00 C ATOM 476 CG PRO A 31 14.939 2.753 -35.109 1.00 0.00 C ATOM 477 CD PRO A 31 14.072 1.539 -35.390 1.00 0.00 C ATOM 0 HA PRO A 31 16.654 0.982 -37.360 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.942 3.206 -35.749 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.763 3.198 -37.045 1.00 0.00 H new ATOM 0 HG2 PRO A 31 15.332 2.726 -34.093 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.365 3.675 -35.205 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.638 1.137 -34.475 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.244 1.784 -36.055 1.00 0.00 H new ATOM 485 N LYS A 32 18.685 0.753 -35.887 1.00 0.00 N ATOM 486 CA LYS A 32 19.863 0.337 -35.104 1.00 0.00 C ATOM 487 C LYS A 32 19.842 0.991 -33.717 1.00 0.00 C ATOM 488 O LYS A 32 20.013 0.319 -32.701 1.00 0.00 O ATOM 489 CB LYS A 32 21.177 0.750 -35.806 1.00 0.00 C ATOM 490 CG LYS A 32 21.424 0.150 -37.194 1.00 0.00 C ATOM 491 CD LYS A 32 22.779 0.640 -37.751 1.00 0.00 C ATOM 492 CE LYS A 32 22.894 0.546 -39.268 1.00 0.00 C ATOM 493 NZ LYS A 32 24.185 1.107 -39.748 1.00 0.00 N ATOM 0 H LYS A 32 18.916 1.128 -36.807 1.00 0.00 H new ATOM 0 HA LYS A 32 19.822 -0.748 -35.014 1.00 0.00 H new ATOM 0 HB2 LYS A 32 21.190 1.836 -35.896 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.011 0.474 -35.161 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.419 -0.938 -37.134 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.619 0.436 -37.871 1.00 0.00 H new ATOM 0 HD2 LYS A 32 22.932 1.676 -37.448 1.00 0.00 H new ATOM 0 HD3 LYS A 32 23.580 0.055 -37.299 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.810 -0.496 -39.577 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.067 1.083 -39.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.013 2.014 -40.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.820 1.259 -38.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.626 0.441 -40.414 1.00 0.00 H new ATOM 507 N ASN A 33 19.586 2.312 -33.726 1.00 0.00 N ATOM 508 CA ASN A 33 19.635 3.173 -32.536 1.00 0.00 C ATOM 509 C ASN A 33 18.716 2.644 -31.414 1.00 0.00 C ATOM 510 O ASN A 33 19.089 2.683 -30.251 1.00 0.00 O ATOM 511 CB ASN A 33 19.239 4.622 -32.918 1.00 0.00 C ATOM 512 CG ASN A 33 19.467 5.631 -31.783 1.00 0.00 C ATOM 513 OD1 ASN A 33 20.517 6.263 -31.702 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.496 5.775 -30.888 1.00 0.00 N ATOM 0 H ASN A 33 19.335 2.817 -34.576 1.00 0.00 H new ATOM 0 HA ASN A 33 20.656 3.166 -32.155 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.814 4.931 -33.791 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.188 4.640 -33.206 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.612 6.423 -30.109 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.634 5.237 -30.980 1.00 0.00 H new ATOM 521 N ASP A 34 17.534 2.121 -31.801 1.00 0.00 N ATOM 522 CA ASP A 34 16.509 1.604 -30.858 1.00 0.00 C ATOM 523 C ASP A 34 17.012 0.346 -30.109 1.00 0.00 C ATOM 524 O ASP A 34 16.786 0.195 -28.897 1.00 0.00 O ATOM 525 CB ASP A 34 15.200 1.305 -31.635 1.00 0.00 C ATOM 526 CG ASP A 34 13.996 0.872 -30.764 1.00 0.00 C ATOM 527 OD1 ASP A 34 13.852 1.360 -29.619 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.158 0.088 -31.258 1.00 0.00 O ATOM 0 H ASP A 34 17.258 2.043 -32.780 1.00 0.00 H new ATOM 0 HA ASP A 34 16.311 2.365 -30.103 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.919 2.196 -32.196 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.401 0.520 -32.363 1.00 0.00 H new ATOM 533 N LEU A 35 17.724 -0.530 -30.844 1.00 0.00 N ATOM 534 CA LEU A 35 18.373 -1.737 -30.274 1.00 0.00 C ATOM 535 C LEU A 35 19.456 -1.297 -29.257 1.00 0.00 C ATOM 536 O LEU A 35 19.473 -1.739 -28.095 1.00 0.00 O ATOM 537 CB LEU A 35 18.982 -2.598 -31.436 1.00 0.00 C ATOM 538 CG LEU A 35 19.416 -4.083 -31.135 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.650 -4.193 -30.219 1.00 0.00 C ATOM 540 CD2 LEU A 35 18.244 -4.891 -30.574 1.00 0.00 C ATOM 0 H LEU A 35 17.868 -0.425 -31.848 1.00 0.00 H new ATOM 0 HA LEU A 35 17.643 -2.353 -29.748 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.251 -2.625 -32.244 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.857 -2.069 -31.815 1.00 0.00 H new ATOM 0 HG LEU A 35 19.715 -4.509 -32.093 1.00 0.00 H new ATOM 0 HD11 LEU A 35 20.890 -5.244 -30.056 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.498 -3.696 -30.690 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.436 -3.717 -29.262 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.569 -5.912 -30.374 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.897 -4.433 -29.648 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.431 -4.904 -31.300 1.00 0.00 H new ATOM 552 N ILE A 36 20.331 -0.394 -29.733 1.00 0.00 N ATOM 553 CA ILE A 36 21.447 0.189 -28.952 1.00 0.00 C ATOM 554 C ILE A 36 20.911 0.848 -27.662 1.00 0.00 C ATOM 555 O ILE A 36 21.511 0.709 -26.593 1.00 0.00 O ATOM 556 CB ILE A 36 22.230 1.245 -29.836 1.00 0.00 C ATOM 557 CG1 ILE A 36 22.761 0.576 -31.149 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.395 1.910 -29.061 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.211 1.542 -32.244 1.00 0.00 C ATOM 0 H ILE A 36 20.285 -0.039 -30.688 1.00 0.00 H new ATOM 0 HA ILE A 36 22.136 -0.606 -28.668 1.00 0.00 H new ATOM 0 HB ILE A 36 21.523 2.032 -30.097 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.600 -0.071 -30.893 1.00 0.00 H new ATOM 0 HG13 ILE A 36 21.976 -0.064 -31.553 1.00 0.00 H new ATOM 0 HG21 ILE A 36 23.901 2.626 -29.709 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.001 2.428 -28.186 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.103 1.145 -28.742 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.560 0.976 -33.108 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.373 2.174 -32.539 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.022 2.166 -31.868 1.00 0.00 H new ATOM 571 N THR A 37 19.733 1.497 -27.791 1.00 0.00 N ATOM 572 CA THR A 37 19.035 2.183 -26.692 1.00 0.00 C ATOM 573 C THR A 37 18.617 1.176 -25.602 1.00 0.00 C ATOM 574 O THR A 37 18.978 1.362 -24.440 1.00 0.00 O ATOM 575 CB THR A 37 17.793 2.978 -27.225 1.00 0.00 C ATOM 576 OG1 THR A 37 18.238 4.032 -28.093 1.00 0.00 O ATOM 577 CG2 THR A 37 16.925 3.581 -26.106 1.00 0.00 C ATOM 0 H THR A 37 19.235 1.557 -28.679 1.00 0.00 H new ATOM 0 HA THR A 37 19.725 2.900 -26.247 1.00 0.00 H new ATOM 0 HB THR A 37 17.170 2.262 -27.761 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.802 3.656 -28.801 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.084 4.117 -26.546 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.551 2.782 -25.465 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.524 4.271 -25.513 1.00 0.00 H new ATOM 585 N TYR A 38 17.903 0.090 -25.992 1.00 0.00 N ATOM 586 CA TYR A 38 17.446 -0.956 -25.040 1.00 0.00 C ATOM 587 C TYR A 38 18.639 -1.509 -24.237 1.00 0.00 C ATOM 588 O TYR A 38 18.571 -1.632 -23.014 1.00 0.00 O ATOM 589 CB TYR A 38 16.717 -2.115 -25.781 1.00 0.00 C ATOM 590 CG TYR A 38 16.203 -3.258 -24.866 1.00 0.00 C ATOM 591 CD1 TYR A 38 17.006 -4.363 -24.550 1.00 0.00 C ATOM 592 CD2 TYR A 38 14.919 -3.235 -24.315 1.00 0.00 C ATOM 593 CE1 TYR A 38 16.556 -5.382 -23.733 1.00 0.00 C ATOM 594 CE2 TYR A 38 14.468 -4.264 -23.491 1.00 0.00 C ATOM 595 CZ TYR A 38 15.290 -5.329 -23.205 1.00 0.00 C ATOM 596 OH TYR A 38 14.845 -6.342 -22.380 1.00 0.00 O ATOM 0 H TYR A 38 17.631 -0.085 -26.959 1.00 0.00 H new ATOM 0 HA TYR A 38 16.737 -0.494 -24.352 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.871 -1.700 -26.329 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.398 -2.539 -26.519 1.00 0.00 H new ATOM 0 HD1 TYR A 38 18.005 -4.419 -24.957 1.00 0.00 H new ATOM 0 HD2 TYR A 38 14.264 -2.404 -24.532 1.00 0.00 H new ATOM 0 HE1 TYR A 38 17.200 -6.220 -23.510 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.472 -4.225 -23.076 1.00 0.00 H new ATOM 0 HH TYR A 38 13.928 -6.150 -22.091 1.00 0.00 H new ATOM 606 N LEU A 39 19.735 -1.816 -24.946 1.00 0.00 N ATOM 607 CA LEU A 39 20.938 -2.413 -24.332 1.00 0.00 C ATOM 608 C LEU A 39 21.598 -1.461 -23.316 1.00 0.00 C ATOM 609 O LEU A 39 21.961 -1.885 -22.235 1.00 0.00 O ATOM 610 CB LEU A 39 21.951 -2.869 -25.427 1.00 0.00 C ATOM 611 CG LEU A 39 21.737 -4.315 -25.994 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.290 -4.555 -26.459 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.725 -4.611 -27.129 1.00 0.00 C ATOM 0 H LEU A 39 19.816 -1.661 -25.951 1.00 0.00 H new ATOM 0 HA LEU A 39 20.620 -3.296 -23.777 1.00 0.00 H new ATOM 0 HB2 LEU A 39 21.903 -2.163 -26.256 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.957 -2.807 -25.013 1.00 0.00 H new ATOM 0 HG LEU A 39 21.930 -5.006 -25.173 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.195 -5.571 -26.843 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.610 -4.420 -25.618 1.00 0.00 H new ATOM 0 HD13 LEU A 39 20.038 -3.845 -27.246 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.556 -5.620 -27.505 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.577 -3.894 -27.936 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.745 -4.530 -26.754 1.00 0.00 H new ATOM 625 N GLN A 40 21.732 -0.173 -23.654 1.00 0.00 N ATOM 626 CA GLN A 40 22.385 0.809 -22.755 1.00 0.00 C ATOM 627 C GLN A 40 21.468 1.257 -21.605 1.00 0.00 C ATOM 628 O GLN A 40 21.949 1.820 -20.613 1.00 0.00 O ATOM 629 CB GLN A 40 22.947 2.004 -23.561 1.00 0.00 C ATOM 630 CG GLN A 40 21.908 2.846 -24.314 1.00 0.00 C ATOM 631 CD GLN A 40 22.508 3.701 -25.439 1.00 0.00 C ATOM 632 OE1 GLN A 40 22.031 4.799 -25.722 1.00 0.00 O ATOM 633 NE2 GLN A 40 23.517 3.172 -26.130 1.00 0.00 N ATOM 0 H GLN A 40 21.402 0.220 -24.536 1.00 0.00 H new ATOM 0 HA GLN A 40 23.228 0.306 -22.280 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.490 2.657 -22.877 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.671 1.624 -24.282 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.153 2.183 -24.736 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.399 3.499 -23.605 1.00 0.00 H new ATOM 0 HE21 GLN A 40 23.890 2.259 -25.870 1.00 0.00 H new ATOM 0 HE22 GLN A 40 23.916 3.680 -26.919 1.00 0.00 H new ATOM 642 N LYS A 41 20.152 1.029 -21.751 1.00 0.00 N ATOM 643 CA LYS A 41 19.178 1.294 -20.674 1.00 0.00 C ATOM 644 C LYS A 41 19.149 0.131 -19.657 1.00 0.00 C ATOM 645 O LYS A 41 19.230 0.355 -18.447 1.00 0.00 O ATOM 646 CB LYS A 41 17.757 1.537 -21.254 1.00 0.00 C ATOM 647 CG LYS A 41 17.624 2.849 -22.060 1.00 0.00 C ATOM 648 CD LYS A 41 16.194 3.110 -22.593 1.00 0.00 C ATOM 649 CE LYS A 41 15.154 3.338 -21.477 1.00 0.00 C ATOM 650 NZ LYS A 41 13.852 3.786 -22.028 1.00 0.00 N ATOM 0 H LYS A 41 19.735 0.661 -22.606 1.00 0.00 H new ATOM 0 HA LYS A 41 19.497 2.198 -20.156 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.490 0.699 -21.897 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.039 1.551 -20.434 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.925 3.685 -21.429 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.316 2.820 -22.902 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.212 3.983 -23.246 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.881 2.262 -23.202 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.014 2.414 -20.915 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.529 4.084 -20.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.298 4.247 -21.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.016 4.461 -22.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.328 2.965 -22.391 1.00 0.00 H new ATOM 664 N ASN A 42 19.054 -1.109 -20.161 1.00 0.00 N ATOM 665 CA ASN A 42 18.773 -2.293 -19.320 1.00 0.00 C ATOM 666 C ASN A 42 20.052 -3.018 -18.853 1.00 0.00 C ATOM 667 O ASN A 42 20.012 -3.740 -17.850 1.00 0.00 O ATOM 668 CB ASN A 42 17.814 -3.259 -20.073 1.00 0.00 C ATOM 669 CG ASN A 42 16.424 -2.648 -20.283 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.584 -2.680 -19.387 1.00 0.00 O ATOM 671 ND2 ASN A 42 16.160 -2.106 -21.462 1.00 0.00 N ATOM 0 H ASN A 42 19.168 -1.323 -21.152 1.00 0.00 H new ATOM 0 HA ASN A 42 18.285 -1.941 -18.411 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.246 -3.516 -21.040 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.720 -4.187 -19.509 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.241 -1.702 -21.643 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.876 -2.092 -22.189 1.00 0.00 H new ATOM 678 N ALA A 43 21.171 -2.854 -19.590 1.00 0.00 N ATOM 679 CA ALA A 43 22.485 -3.427 -19.191 1.00 0.00 C ATOM 680 C ALA A 43 23.321 -2.398 -18.426 1.00 0.00 C ATOM 681 O ALA A 43 23.059 -1.189 -18.491 1.00 0.00 O ATOM 682 CB ALA A 43 23.278 -3.928 -20.415 1.00 0.00 C ATOM 0 H ALA A 43 21.196 -2.331 -20.465 1.00 0.00 H new ATOM 0 HA ALA A 43 22.279 -4.276 -18.539 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.232 -4.340 -20.087 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.706 -4.701 -20.927 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.457 -3.097 -21.097 1.00 0.00 H new ATOM 688 N ASP A 44 24.333 -2.906 -17.704 1.00 0.00 N ATOM 689 CA ASP A 44 25.361 -2.078 -17.061 1.00 0.00 C ATOM 690 C ASP A 44 26.354 -1.575 -18.119 1.00 0.00 C ATOM 691 O ASP A 44 26.515 -2.207 -19.170 1.00 0.00 O ATOM 692 CB ASP A 44 26.111 -2.884 -15.973 1.00 0.00 C ATOM 693 CG ASP A 44 25.201 -3.402 -14.843 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.490 -4.415 -15.049 1.00 0.00 O ATOM 695 OD2 ASP A 44 25.196 -2.799 -13.744 1.00 0.00 O ATOM 0 H ASP A 44 24.460 -3.906 -17.551 1.00 0.00 H new ATOM 0 HA ASP A 44 24.876 -1.226 -16.584 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.610 -3.732 -16.442 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.889 -2.255 -15.540 1.00 0.00 H new ATOM 700 N ALA A 45 27.054 -0.475 -17.795 1.00 0.00 N ATOM 701 CA ALA A 45 27.923 0.252 -18.746 1.00 0.00 C ATOM 702 C ALA A 45 29.013 -0.657 -19.352 1.00 0.00 C ATOM 703 O ALA A 45 29.388 -0.488 -20.512 1.00 0.00 O ATOM 704 CB ALA A 45 28.551 1.474 -18.060 1.00 0.00 C ATOM 0 H ALA A 45 27.035 -0.060 -16.863 1.00 0.00 H new ATOM 0 HA ALA A 45 27.297 0.590 -19.572 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.189 2.002 -18.769 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.762 2.142 -17.714 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.148 1.147 -17.209 1.00 0.00 H new ATOM 710 N ALA A 46 29.460 -1.642 -18.550 1.00 0.00 N ATOM 711 CA ALA A 46 30.496 -2.629 -18.935 1.00 0.00 C ATOM 712 C ALA A 46 30.128 -3.410 -20.214 1.00 0.00 C ATOM 713 O ALA A 46 30.994 -3.698 -21.052 1.00 0.00 O ATOM 714 CB ALA A 46 30.713 -3.613 -17.782 1.00 0.00 C ATOM 0 H ALA A 46 29.109 -1.779 -17.602 1.00 0.00 H new ATOM 0 HA ALA A 46 31.410 -2.075 -19.146 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.475 -4.340 -18.063 1.00 0.00 H new ATOM 0 HB2 ALA A 46 31.040 -3.069 -16.896 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.779 -4.131 -17.565 1.00 0.00 H new ATOM 720 N PHE A 47 28.836 -3.746 -20.335 1.00 0.00 N ATOM 721 CA PHE A 47 28.304 -4.527 -21.466 1.00 0.00 C ATOM 722 C PHE A 47 28.450 -3.732 -22.775 1.00 0.00 C ATOM 723 O PHE A 47 28.841 -4.271 -23.819 1.00 0.00 O ATOM 724 CB PHE A 47 26.822 -4.877 -21.193 1.00 0.00 C ATOM 725 CG PHE A 47 26.228 -5.892 -22.161 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.454 -7.252 -21.970 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.459 -5.499 -23.263 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.932 -8.184 -22.841 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.939 -6.435 -24.136 1.00 0.00 C ATOM 730 CZ PHE A 47 25.179 -7.778 -23.923 1.00 0.00 C ATOM 0 H PHE A 47 28.127 -3.484 -19.650 1.00 0.00 H new ATOM 0 HA PHE A 47 28.870 -5.452 -21.571 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.734 -5.266 -20.178 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.231 -3.962 -21.237 1.00 0.00 H new ATOM 0 HD1 PHE A 47 27.046 -7.581 -21.129 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.270 -4.449 -23.433 1.00 0.00 H new ATOM 0 HE1 PHE A 47 26.113 -9.236 -22.676 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.347 -6.118 -24.982 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.776 -8.512 -24.605 1.00 0.00 H new ATOM 740 N LEU A 48 28.155 -2.433 -22.680 1.00 0.00 N ATOM 741 CA LEU A 48 28.267 -1.496 -23.798 1.00 0.00 C ATOM 742 C LEU A 48 29.745 -1.181 -24.090 1.00 0.00 C ATOM 743 O LEU A 48 30.107 -0.889 -25.218 1.00 0.00 O ATOM 744 CB LEU A 48 27.472 -0.193 -23.502 1.00 0.00 C ATOM 745 CG LEU A 48 25.940 -0.339 -23.199 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.252 -1.343 -24.143 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.662 -0.682 -21.726 1.00 0.00 C ATOM 0 H LEU A 48 27.829 -1.999 -21.816 1.00 0.00 H new ATOM 0 HA LEU A 48 27.836 -1.962 -24.684 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.939 0.301 -22.650 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.585 0.473 -24.358 1.00 0.00 H new ATOM 0 HG LEU A 48 25.502 0.641 -23.389 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.193 -1.410 -23.894 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.362 -1.007 -25.174 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.714 -2.324 -24.030 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.587 -0.772 -21.570 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.145 -1.626 -21.475 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.056 0.109 -21.088 1.00 0.00 H new ATOM 759 N ARG A 49 30.591 -1.244 -23.054 1.00 0.00 N ATOM 760 CA ARG A 49 32.056 -1.077 -23.192 1.00 0.00 C ATOM 761 C ARG A 49 32.686 -2.315 -23.863 1.00 0.00 C ATOM 762 O ARG A 49 33.773 -2.226 -24.447 1.00 0.00 O ATOM 763 CB ARG A 49 32.696 -0.787 -21.805 1.00 0.00 C ATOM 764 CG ARG A 49 32.315 0.597 -21.220 1.00 0.00 C ATOM 765 CD ARG A 49 32.759 0.802 -19.759 1.00 0.00 C ATOM 766 NE ARG A 49 32.386 2.143 -19.251 1.00 0.00 N ATOM 767 CZ ARG A 49 32.789 2.684 -18.085 1.00 0.00 C ATOM 768 NH1 ARG A 49 33.563 2.013 -17.241 1.00 0.00 N ATOM 769 NH2 ARG A 49 32.424 3.919 -17.775 1.00 0.00 N ATOM 0 H ARG A 49 30.287 -1.412 -22.095 1.00 0.00 H new ATOM 0 HA ARG A 49 32.255 -0.222 -23.838 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.391 -1.564 -21.104 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.781 -0.847 -21.895 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.761 1.377 -21.838 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.234 0.721 -21.282 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.304 0.036 -19.131 1.00 0.00 H new ATOM 0 HD3 ARG A 49 33.839 0.674 -19.686 1.00 0.00 H new ATOM 0 HE ARG A 49 31.769 2.707 -19.836 1.00 0.00 H new ATOM 0 HH11 ARG A 49 33.866 1.066 -17.469 1.00 0.00 H new ATOM 0 HH12 ARG A 49 33.855 2.444 -16.364 1.00 0.00 H new ATOM 0 HH21 ARG A 49 31.841 4.455 -18.418 1.00 0.00 H new ATOM 0 HH22 ARG A 49 32.726 4.334 -16.894 1.00 0.00 H new ATOM 783 N HIS A 50 31.990 -3.465 -23.779 1.00 0.00 N ATOM 784 CA HIS A 50 32.397 -4.706 -24.463 1.00 0.00 C ATOM 785 C HIS A 50 32.009 -4.660 -25.958 1.00 0.00 C ATOM 786 O HIS A 50 32.849 -4.906 -26.830 1.00 0.00 O ATOM 787 CB HIS A 50 31.768 -5.942 -23.765 1.00 0.00 C ATOM 788 CG HIS A 50 32.113 -7.256 -24.422 1.00 0.00 C ATOM 789 ND1 HIS A 50 33.390 -7.769 -24.445 1.00 0.00 N ATOM 790 CD2 HIS A 50 31.348 -8.133 -25.118 1.00 0.00 C ATOM 791 CE1 HIS A 50 33.402 -8.892 -25.137 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.175 -9.139 -25.548 1.00 0.00 N ATOM 0 H HIS A 50 31.132 -3.559 -23.236 1.00 0.00 H new ATOM 0 HA HIS A 50 33.482 -4.794 -24.400 1.00 0.00 H new ATOM 0 HB2 HIS A 50 32.099 -5.968 -22.727 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.684 -5.827 -23.752 1.00 0.00 H new ATOM 0 HD2 HIS A 50 30.286 -8.054 -25.300 1.00 0.00 H new ATOM 0 HE1 HIS A 50 34.270 -9.504 -25.333 1.00 0.00 H new ATOM 0 HE2 HIS A 50 31.886 -9.948 -26.098 1.00 0.00 H new ATOM 801 N TRP A 51 30.730 -4.341 -26.239 1.00 0.00 N ATOM 802 CA TRP A 51 30.182 -4.328 -27.618 1.00 0.00 C ATOM 803 C TRP A 51 30.357 -2.955 -28.306 1.00 0.00 C ATOM 804 O TRP A 51 29.842 -2.741 -29.411 1.00 0.00 O ATOM 805 CB TRP A 51 28.688 -4.754 -27.597 1.00 0.00 C ATOM 806 CG TRP A 51 28.478 -6.189 -27.169 1.00 0.00 C ATOM 807 CD1 TRP A 51 28.033 -6.638 -25.958 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.729 -7.363 -27.962 1.00 0.00 C ATOM 809 NE1 TRP A 51 27.975 -8.008 -25.953 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.402 -8.477 -27.170 1.00 0.00 C ATOM 811 CE3 TRP A 51 29.193 -7.576 -29.268 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.526 -9.783 -27.635 1.00 0.00 C ATOM 813 CZ3 TRP A 51 29.314 -8.871 -29.730 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.983 -9.963 -28.913 1.00 0.00 C ATOM 0 H TRP A 51 30.048 -4.086 -25.524 1.00 0.00 H new ATOM 0 HA TRP A 51 30.751 -5.046 -28.209 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.140 -4.097 -26.921 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.264 -4.614 -28.591 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.765 -6.005 -25.125 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.665 -8.585 -25.171 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.451 -6.741 -29.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.271 -10.625 -27.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.669 -9.046 -30.735 1.00 0.00 H new ATOM 0 HH2 TRP A 51 29.091 -10.965 -29.300 1.00 0.00 H new ATOM 825 N LYS A 52 31.071 -2.034 -27.621 1.00 0.00 N ATOM 826 CA LYS A 52 31.472 -0.703 -28.154 1.00 0.00 C ATOM 827 C LYS A 52 30.254 0.230 -28.365 1.00 0.00 C ATOM 828 O LYS A 52 30.324 1.211 -29.119 1.00 0.00 O ATOM 829 CB LYS A 52 32.332 -0.847 -29.457 1.00 0.00 C ATOM 830 CG LYS A 52 33.625 -1.713 -29.328 1.00 0.00 C ATOM 831 CD LYS A 52 34.864 -0.974 -28.732 1.00 0.00 C ATOM 832 CE LYS A 52 34.764 -0.641 -27.226 1.00 0.00 C ATOM 833 NZ LYS A 52 36.004 -0.013 -26.709 1.00 0.00 N ATOM 0 H LYS A 52 31.392 -2.193 -26.666 1.00 0.00 H new ATOM 0 HA LYS A 52 32.100 -0.228 -27.400 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.705 -1.279 -30.237 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.618 0.150 -29.793 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.403 -2.578 -28.703 1.00 0.00 H new ATOM 0 HG3 LYS A 52 33.889 -2.092 -30.315 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.748 -1.590 -28.895 1.00 0.00 H new ATOM 0 HD3 LYS A 52 35.016 -0.047 -29.284 1.00 0.00 H new ATOM 0 HE2 LYS A 52 33.922 0.030 -27.059 1.00 0.00 H new ATOM 0 HE3 LYS A 52 34.560 -1.554 -26.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 35.892 0.193 -25.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 36.805 -0.663 -26.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 36.186 0.872 -27.224 1.00 0.00 H new ATOM 847 N LEU A 53 29.154 -0.065 -27.640 1.00 0.00 N ATOM 848 CA LEU A 53 27.915 0.748 -27.645 1.00 0.00 C ATOM 849 C LEU A 53 27.982 1.849 -26.548 1.00 0.00 C ATOM 850 O LEU A 53 27.001 2.559 -26.306 1.00 0.00 O ATOM 851 CB LEU A 53 26.685 -0.166 -27.398 1.00 0.00 C ATOM 852 CG LEU A 53 26.637 -1.506 -28.194 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.457 -2.362 -27.728 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.595 -1.283 -29.722 1.00 0.00 C ATOM 0 H LEU A 53 29.099 -0.880 -27.029 1.00 0.00 H new ATOM 0 HA LEU A 53 27.818 1.230 -28.618 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.643 -0.400 -26.334 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.786 0.403 -27.634 1.00 0.00 H new ATOM 0 HG LEU A 53 27.563 -2.042 -27.984 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.438 -3.294 -28.293 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.565 -2.584 -26.666 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.526 -1.819 -27.892 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.562 -2.247 -30.230 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.707 -0.706 -29.981 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.486 -0.738 -30.035 1.00 0.00 H new ATOM 866 N THR A 54 29.146 1.941 -25.872 1.00 0.00 N ATOM 867 CA THR A 54 29.404 2.914 -24.786 1.00 0.00 C ATOM 868 C THR A 54 29.587 4.357 -25.309 1.00 0.00 C ATOM 869 O THR A 54 29.421 5.322 -24.545 1.00 0.00 O ATOM 870 CB THR A 54 30.668 2.476 -23.969 1.00 0.00 C ATOM 871 OG1 THR A 54 30.935 3.401 -22.898 1.00 0.00 O ATOM 872 CG2 THR A 54 31.916 2.332 -24.868 1.00 0.00 C ATOM 0 H THR A 54 29.943 1.335 -26.066 1.00 0.00 H new ATOM 0 HA THR A 54 28.525 2.917 -24.141 1.00 0.00 H new ATOM 0 HB THR A 54 30.447 1.497 -23.544 1.00 0.00 H new ATOM 0 HG1 THR A 54 31.809 3.201 -22.503 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.768 2.027 -24.261 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.728 1.579 -25.634 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.133 3.288 -25.345 1.00 0.00 H new ATOM 880 N GLY A 55 29.932 4.483 -26.610 1.00 0.00 N ATOM 881 CA GLY A 55 30.163 5.791 -27.239 1.00 0.00 C ATOM 882 C GLY A 55 28.876 6.567 -27.502 1.00 0.00 C ATOM 883 O GLY A 55 27.816 6.235 -26.954 1.00 0.00 O ATOM 0 H GLY A 55 30.055 3.691 -27.240 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.814 6.386 -26.598 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.691 5.646 -28.181 1.00 0.00 H new ATOM 887 N THR A 56 28.965 7.619 -28.335 1.00 0.00 N ATOM 888 CA THR A 56 27.787 8.389 -28.759 1.00 0.00 C ATOM 889 C THR A 56 27.021 7.599 -29.841 1.00 0.00 C ATOM 890 O THR A 56 27.629 7.122 -30.810 1.00 0.00 O ATOM 891 CB THR A 56 28.172 9.832 -29.251 1.00 0.00 C ATOM 892 OG1 THR A 56 26.996 10.541 -29.673 1.00 0.00 O ATOM 893 CG2 THR A 56 29.215 9.824 -30.387 1.00 0.00 C ATOM 0 H THR A 56 29.845 7.955 -28.728 1.00 0.00 H new ATOM 0 HA THR A 56 27.134 8.529 -27.898 1.00 0.00 H new ATOM 0 HB THR A 56 28.630 10.340 -28.402 1.00 0.00 H new ATOM 0 HG1 THR A 56 27.246 11.439 -29.976 1.00 0.00 H new ATOM 0 HG21 THR A 56 29.439 10.849 -30.683 1.00 0.00 H new ATOM 0 HG22 THR A 56 30.127 9.339 -30.040 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.817 9.278 -31.243 1.00 0.00 H new ATOM 901 N ASN A 57 25.688 7.456 -29.650 1.00 0.00 N ATOM 902 CA ASN A 57 24.811 6.612 -30.503 1.00 0.00 C ATOM 903 C ASN A 57 24.894 6.962 -31.990 1.00 0.00 C ATOM 904 O ASN A 57 24.621 6.108 -32.817 1.00 0.00 O ATOM 905 CB ASN A 57 23.333 6.659 -30.027 1.00 0.00 C ATOM 906 CG ASN A 57 23.062 5.837 -28.763 1.00 0.00 C ATOM 907 OD1 ASN A 57 23.933 5.676 -27.906 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.851 5.300 -28.649 1.00 0.00 N ATOM 0 H ASN A 57 25.186 7.925 -28.896 1.00 0.00 H new ATOM 0 HA ASN A 57 25.188 5.596 -30.390 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.054 7.696 -29.841 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.691 6.296 -30.830 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.619 4.734 -27.833 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.154 5.454 -29.378 1.00 0.00 H new ATOM 915 N LYS A 58 25.257 8.214 -32.311 1.00 0.00 N ATOM 916 CA LYS A 58 25.473 8.675 -33.703 1.00 0.00 C ATOM 917 C LYS A 58 26.578 7.827 -34.393 1.00 0.00 C ATOM 918 O LYS A 58 26.369 7.225 -35.474 1.00 0.00 O ATOM 919 CB LYS A 58 25.862 10.180 -33.681 1.00 0.00 C ATOM 920 CG LYS A 58 25.960 10.848 -35.072 1.00 0.00 C ATOM 921 CD LYS A 58 26.419 12.329 -35.017 1.00 0.00 C ATOM 922 CE LYS A 58 25.475 13.233 -34.198 1.00 0.00 C ATOM 923 NZ LYS A 58 24.101 13.277 -34.758 1.00 0.00 N ATOM 0 H LYS A 58 25.411 8.942 -31.614 1.00 0.00 H new ATOM 0 HA LYS A 58 24.555 8.549 -34.277 1.00 0.00 H new ATOM 0 HB2 LYS A 58 25.127 10.721 -33.085 1.00 0.00 H new ATOM 0 HB3 LYS A 58 26.822 10.285 -33.175 1.00 0.00 H new ATOM 0 HG2 LYS A 58 26.658 10.282 -35.689 1.00 0.00 H new ATOM 0 HG3 LYS A 58 24.987 10.795 -35.561 1.00 0.00 H new ATOM 0 HD2 LYS A 58 27.419 12.376 -34.586 1.00 0.00 H new ATOM 0 HD3 LYS A 58 26.491 12.717 -36.033 1.00 0.00 H new ATOM 0 HE2 LYS A 58 25.433 12.872 -33.170 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.883 14.243 -34.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.511 13.911 -34.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.136 13.630 -35.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 23.692 12.321 -34.750 1.00 0.00 H new ATOM 937 N SER A 59 27.738 7.748 -33.715 1.00 0.00 N ATOM 938 CA SER A 59 28.905 6.988 -34.192 1.00 0.00 C ATOM 939 C SER A 59 28.591 5.483 -34.255 1.00 0.00 C ATOM 940 O SER A 59 29.050 4.783 -35.157 1.00 0.00 O ATOM 941 CB SER A 59 30.109 7.239 -33.260 1.00 0.00 C ATOM 942 OG SER A 59 30.410 8.622 -33.164 1.00 0.00 O ATOM 0 H SER A 59 27.891 8.211 -32.819 1.00 0.00 H new ATOM 0 HA SER A 59 29.151 7.327 -35.198 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.892 6.843 -32.268 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.980 6.701 -33.635 1.00 0.00 H new ATOM 0 HG SER A 59 31.176 8.749 -32.566 1.00 0.00 H new ATOM 948 N ILE A 60 27.771 5.009 -33.301 1.00 0.00 N ATOM 949 CA ILE A 60 27.435 3.585 -33.167 1.00 0.00 C ATOM 950 C ILE A 60 26.452 3.148 -34.281 1.00 0.00 C ATOM 951 O ILE A 60 26.622 2.094 -34.876 1.00 0.00 O ATOM 952 CB ILE A 60 26.816 3.286 -31.753 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.680 3.911 -30.613 1.00 0.00 C ATOM 954 CG2 ILE A 60 26.667 1.766 -31.530 1.00 0.00 C ATOM 955 CD1 ILE A 60 27.016 3.907 -29.249 1.00 0.00 C ATOM 0 H ILE A 60 27.324 5.603 -32.603 1.00 0.00 H new ATOM 0 HA ILE A 60 28.357 3.012 -33.269 1.00 0.00 H new ATOM 0 HB ILE A 60 25.827 3.744 -31.724 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.621 3.366 -30.547 1.00 0.00 H new ATOM 0 HG13 ILE A 60 27.925 4.939 -30.881 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.237 1.583 -30.545 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.013 1.348 -32.295 1.00 0.00 H new ATOM 0 HG23 ILE A 60 27.646 1.291 -31.592 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.685 4.359 -28.517 1.00 0.00 H new ATOM 0 HD12 ILE A 60 26.089 4.478 -29.294 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.796 2.881 -28.954 1.00 0.00 H new ATOM 967 N ARG A 61 25.447 3.989 -34.577 1.00 0.00 N ATOM 968 CA ARG A 61 24.415 3.675 -35.596 1.00 0.00 C ATOM 969 C ARG A 61 24.979 3.824 -37.022 1.00 0.00 C ATOM 970 O ARG A 61 24.385 3.323 -37.976 1.00 0.00 O ATOM 971 CB ARG A 61 23.143 4.555 -35.406 1.00 0.00 C ATOM 972 CG ARG A 61 23.366 6.064 -35.637 1.00 0.00 C ATOM 973 CD ARG A 61 22.127 6.924 -35.333 1.00 0.00 C ATOM 974 NE ARG A 61 21.041 6.687 -36.303 1.00 0.00 N ATOM 975 CZ ARG A 61 20.662 7.543 -37.269 1.00 0.00 C ATOM 976 NH1 ARG A 61 21.263 8.720 -37.416 1.00 0.00 N ATOM 977 NH2 ARG A 61 19.672 7.219 -38.079 1.00 0.00 N ATOM 0 H ARG A 61 25.322 4.896 -34.127 1.00 0.00 H new ATOM 0 HA ARG A 61 24.123 2.634 -35.457 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.370 4.206 -36.091 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.763 4.408 -34.395 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.193 6.400 -35.012 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.664 6.224 -36.673 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.770 6.703 -34.327 1.00 0.00 H new ATOM 0 HD3 ARG A 61 22.404 7.978 -35.349 1.00 0.00 H new ATOM 0 HE ARG A 61 20.537 5.803 -36.236 1.00 0.00 H new ATOM 0 HH11 ARG A 61 22.024 8.986 -36.791 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.963 9.357 -38.154 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.197 6.323 -37.971 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.381 7.865 -38.813 1.00 0.00 H new ATOM 991 N LYS A 62 26.114 4.541 -37.182 1.00 0.00 N ATOM 992 CA LYS A 62 26.807 4.591 -38.485 1.00 0.00 C ATOM 993 C LYS A 62 27.789 3.410 -38.646 1.00 0.00 C ATOM 994 O LYS A 62 27.739 2.679 -39.647 1.00 0.00 O ATOM 995 CB LYS A 62 27.545 5.940 -38.680 1.00 0.00 C ATOM 996 CG LYS A 62 28.154 6.124 -40.096 1.00 0.00 C ATOM 997 CD LYS A 62 28.773 7.524 -40.315 1.00 0.00 C ATOM 998 CE LYS A 62 29.994 7.790 -39.420 1.00 0.00 C ATOM 999 NZ LYS A 62 30.490 9.182 -39.554 1.00 0.00 N ATOM 0 H LYS A 62 26.560 5.082 -36.441 1.00 0.00 H new ATOM 0 HA LYS A 62 26.044 4.506 -39.259 1.00 0.00 H new ATOM 0 HB2 LYS A 62 26.848 6.756 -38.486 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.341 6.018 -37.940 1.00 0.00 H new ATOM 0 HG2 LYS A 62 28.920 5.366 -40.256 1.00 0.00 H new ATOM 0 HG3 LYS A 62 27.378 5.956 -40.843 1.00 0.00 H new ATOM 0 HD2 LYS A 62 29.067 7.625 -41.360 1.00 0.00 H new ATOM 0 HD3 LYS A 62 28.016 8.284 -40.122 1.00 0.00 H new ATOM 0 HE2 LYS A 62 29.730 7.598 -38.380 1.00 0.00 H new ATOM 0 HE3 LYS A 62 30.792 7.094 -39.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 31.314 9.318 -38.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 30.767 9.358 -40.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 29.738 9.846 -39.282 1.00 0.00 H new ATOM 1013 N ASN A 63 28.668 3.225 -37.642 1.00 0.00 N ATOM 1014 CA ASN A 63 29.804 2.270 -37.724 1.00 0.00 C ATOM 1015 C ASN A 63 29.324 0.824 -37.521 1.00 0.00 C ATOM 1016 O ASN A 63 29.656 -0.073 -38.307 1.00 0.00 O ATOM 1017 CB ASN A 63 30.913 2.625 -36.687 1.00 0.00 C ATOM 1018 CG ASN A 63 31.647 3.956 -36.950 1.00 0.00 C ATOM 1019 OD1 ASN A 63 30.923 5.008 -37.326 1.00 0.00 O flip ATOM 1020 ND2 ASN A 63 32.861 4.050 -36.757 1.00 0.00 N flip ATOM 0 H ASN A 63 28.617 3.726 -36.755 1.00 0.00 H new ATOM 0 HA ASN A 63 30.232 2.353 -38.723 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.463 2.665 -35.695 1.00 0.00 H new ATOM 0 HB3 ASN A 63 31.647 1.819 -36.672 1.00 0.00 H new ATOM 0 HD21 ASN A 63 33.397 3.231 -36.469 1.00 0.00 H new ATOM 0 HD22 ASN A 63 33.330 4.947 -36.885 1.00 0.00 H new ATOM 1027 N ARG A 64 28.531 0.617 -36.465 1.00 0.00 N ATOM 1028 CA ARG A 64 27.942 -0.700 -36.154 1.00 0.00 C ATOM 1029 C ARG A 64 26.651 -0.849 -36.976 1.00 0.00 C ATOM 1030 O ARG A 64 25.943 0.137 -37.214 1.00 0.00 O ATOM 1031 CB ARG A 64 27.646 -0.858 -34.623 1.00 0.00 C ATOM 1032 CG ARG A 64 28.765 -0.362 -33.674 1.00 0.00 C ATOM 1033 CD ARG A 64 30.105 -1.105 -33.830 1.00 0.00 C ATOM 1034 NE ARG A 64 31.163 -0.457 -33.033 1.00 0.00 N ATOM 1035 CZ ARG A 64 32.480 -0.540 -33.259 1.00 0.00 C ATOM 1036 NH1 ARG A 64 32.964 -1.313 -34.221 1.00 0.00 N ATOM 1037 NH2 ARG A 64 33.316 0.170 -32.511 1.00 0.00 N ATOM 0 H ARG A 64 28.277 1.349 -35.802 1.00 0.00 H new ATOM 0 HA ARG A 64 28.652 -1.484 -36.415 1.00 0.00 H new ATOM 0 HB2 ARG A 64 26.729 -0.316 -34.390 1.00 0.00 H new ATOM 0 HB3 ARG A 64 27.456 -1.911 -34.414 1.00 0.00 H new ATOM 0 HG2 ARG A 64 28.930 0.701 -33.850 1.00 0.00 H new ATOM 0 HG3 ARG A 64 28.424 -0.465 -32.644 1.00 0.00 H new ATOM 0 HD2 ARG A 64 29.989 -2.142 -33.514 1.00 0.00 H new ATOM 0 HD3 ARG A 64 30.395 -1.123 -34.881 1.00 0.00 H new ATOM 0 HE ARG A 64 30.864 0.106 -32.237 1.00 0.00 H new ATOM 0 HH11 ARG A 64 32.330 -1.858 -34.805 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.971 -1.363 -34.377 1.00 0.00 H new ATOM 0 HH21 ARG A 64 32.953 0.772 -31.772 1.00 0.00 H new ATOM 0 HH22 ARG A 64 34.321 0.113 -32.675 1.00 0.00 H new ATOM 1051 N ASN A 65 26.378 -2.070 -37.432 1.00 0.00 N ATOM 1052 CA ASN A 65 25.209 -2.388 -38.278 1.00 0.00 C ATOM 1053 C ASN A 65 24.402 -3.523 -37.611 1.00 0.00 C ATOM 1054 O ASN A 65 24.330 -3.558 -36.375 1.00 0.00 O ATOM 1055 CB ASN A 65 25.705 -2.742 -39.715 1.00 0.00 C ATOM 1056 CG ASN A 65 26.191 -1.520 -40.503 1.00 0.00 C ATOM 1057 OD1 ASN A 65 25.430 -0.917 -41.260 1.00 0.00 O ATOM 1058 ND2 ASN A 65 27.438 -1.117 -40.292 1.00 0.00 N ATOM 0 H ASN A 65 26.962 -2.881 -37.227 1.00 0.00 H new ATOM 0 HA ASN A 65 24.538 -1.534 -38.374 1.00 0.00 H new ATOM 0 HB2 ASN A 65 26.516 -3.467 -39.644 1.00 0.00 H new ATOM 0 HB3 ASN A 65 24.895 -3.222 -40.264 1.00 0.00 H new ATOM 0 HD21 ASN A 65 27.792 -0.285 -40.764 1.00 0.00 H new ATOM 0 HD22 ASN A 65 28.043 -1.640 -39.658 1.00 0.00 H new ATOM 1065 N CYS A 66 23.776 -4.422 -38.409 1.00 0.00 N ATOM 1066 CA CYS A 66 22.983 -5.536 -37.871 1.00 0.00 C ATOM 1067 C CYS A 66 23.828 -6.448 -36.945 1.00 0.00 C ATOM 1068 O CYS A 66 23.545 -6.542 -35.756 1.00 0.00 O ATOM 1069 CB CYS A 66 22.369 -6.360 -39.027 1.00 0.00 C ATOM 1070 SG CYS A 66 21.263 -5.415 -40.094 1.00 0.00 S ATOM 0 H CYS A 66 23.810 -4.390 -39.428 1.00 0.00 H new ATOM 0 HA CYS A 66 22.180 -5.112 -37.268 1.00 0.00 H new ATOM 0 HB2 CYS A 66 23.175 -6.774 -39.632 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.820 -7.203 -38.607 1.00 0.00 H new ATOM 0 HG CYS A 66 20.800 -6.187 -41.032 1.00 0.00 H new ATOM 1076 N SER A 67 24.907 -7.021 -37.510 1.00 0.00 N ATOM 1077 CA SER A 67 25.669 -8.150 -36.914 1.00 0.00 C ATOM 1078 C SER A 67 26.083 -7.937 -35.437 1.00 0.00 C ATOM 1079 O SER A 67 25.859 -8.820 -34.596 1.00 0.00 O ATOM 1080 CB SER A 67 26.918 -8.424 -37.775 1.00 0.00 C ATOM 1081 OG SER A 67 26.553 -8.666 -39.127 1.00 0.00 O ATOM 0 H SER A 67 25.285 -6.713 -38.406 1.00 0.00 H new ATOM 0 HA SER A 67 24.996 -9.007 -36.907 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.596 -7.572 -37.723 1.00 0.00 H new ATOM 0 HB3 SER A 67 27.457 -9.285 -37.379 1.00 0.00 H new ATOM 0 HG SER A 67 27.359 -8.836 -39.658 1.00 0.00 H new ATOM 1087 N GLN A 68 26.667 -6.764 -35.139 1.00 0.00 N ATOM 1088 CA GLN A 68 27.127 -6.415 -33.777 1.00 0.00 C ATOM 1089 C GLN A 68 25.954 -6.361 -32.790 1.00 0.00 C ATOM 1090 O GLN A 68 26.033 -6.886 -31.682 1.00 0.00 O ATOM 1091 CB GLN A 68 27.902 -5.059 -33.783 1.00 0.00 C ATOM 1092 CG GLN A 68 29.352 -5.123 -34.344 1.00 0.00 C ATOM 1093 CD GLN A 68 30.429 -5.624 -33.346 1.00 0.00 C ATOM 1094 OE1 GLN A 68 30.069 -6.492 -32.392 1.00 0.00 O flip ATOM 1095 NE2 GLN A 68 31.587 -5.212 -33.422 1.00 0.00 N flip ATOM 0 H GLN A 68 26.835 -6.032 -35.829 1.00 0.00 H new ATOM 0 HA GLN A 68 27.808 -7.199 -33.447 1.00 0.00 H new ATOM 0 HB2 GLN A 68 27.334 -4.338 -34.371 1.00 0.00 H new ATOM 0 HB3 GLN A 68 27.942 -4.678 -32.763 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.358 -5.776 -35.217 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.635 -4.128 -34.689 1.00 0.00 H new ATOM 0 HE21 GLN A 68 31.846 -4.551 -34.154 1.00 0.00 H new ATOM 0 HE22 GLN A 68 32.287 -5.532 -32.753 1.00 0.00 H new ATOM 1104 N LEU A 69 24.865 -5.745 -33.245 1.00 0.00 N ATOM 1105 CA LEU A 69 23.658 -5.508 -32.444 1.00 0.00 C ATOM 1106 C LEU A 69 22.853 -6.804 -32.215 1.00 0.00 C ATOM 1107 O LEU A 69 22.241 -6.970 -31.154 1.00 0.00 O ATOM 1108 CB LEU A 69 22.805 -4.422 -33.150 1.00 0.00 C ATOM 1109 CG LEU A 69 23.219 -2.930 -32.906 1.00 0.00 C ATOM 1110 CD1 LEU A 69 24.718 -2.662 -33.166 1.00 0.00 C ATOM 1111 CD2 LEU A 69 22.345 -2.000 -33.758 1.00 0.00 C ATOM 0 H LEU A 69 24.792 -5.389 -34.198 1.00 0.00 H new ATOM 0 HA LEU A 69 23.948 -5.158 -31.453 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.834 -4.612 -34.223 1.00 0.00 H new ATOM 0 HB3 LEU A 69 21.769 -4.544 -32.833 1.00 0.00 H new ATOM 0 HG LEU A 69 23.055 -2.723 -31.849 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.938 -1.611 -32.979 1.00 0.00 H new ATOM 0 HD12 LEU A 69 25.319 -3.282 -32.501 1.00 0.00 H new ATOM 0 HD13 LEU A 69 24.956 -2.903 -34.202 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.638 -0.965 -33.584 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.477 -2.242 -34.813 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.298 -2.132 -33.484 1.00 0.00 H new ATOM 1123 N ILE A 70 22.866 -7.724 -33.205 1.00 0.00 N ATOM 1124 CA ILE A 70 22.187 -9.034 -33.086 1.00 0.00 C ATOM 1125 C ILE A 70 22.914 -9.863 -32.022 1.00 0.00 C ATOM 1126 O ILE A 70 22.299 -10.359 -31.085 1.00 0.00 O ATOM 1127 CB ILE A 70 22.178 -9.834 -34.445 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.558 -8.986 -35.591 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.422 -11.187 -34.299 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.807 -9.530 -36.990 1.00 0.00 C ATOM 0 H ILE A 70 23.340 -7.583 -34.097 1.00 0.00 H new ATOM 0 HA ILE A 70 21.149 -8.851 -32.809 1.00 0.00 H new ATOM 0 HB ILE A 70 23.215 -10.051 -34.703 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.482 -8.914 -35.430 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.958 -7.974 -35.533 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.433 -11.715 -35.253 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.912 -11.798 -33.540 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.391 -10.997 -34.002 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.338 -8.875 -37.724 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.880 -9.576 -37.177 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.381 -10.530 -37.073 1.00 0.00 H new ATOM 1142 N ALA A 71 24.249 -9.956 -32.186 1.00 0.00 N ATOM 1143 CA ALA A 71 25.140 -10.696 -31.279 1.00 0.00 C ATOM 1144 C ALA A 71 25.047 -10.163 -29.845 1.00 0.00 C ATOM 1145 O ALA A 71 25.039 -10.934 -28.896 1.00 0.00 O ATOM 1146 CB ALA A 71 26.589 -10.622 -31.782 1.00 0.00 C ATOM 0 H ALA A 71 24.741 -9.513 -32.962 1.00 0.00 H new ATOM 0 HA ALA A 71 24.819 -11.738 -31.269 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.239 -11.173 -31.102 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.651 -11.060 -32.778 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.907 -9.580 -31.823 1.00 0.00 H new ATOM 1152 N ALA A 72 24.954 -8.832 -29.724 1.00 0.00 N ATOM 1153 CA ALA A 72 24.862 -8.138 -28.431 1.00 0.00 C ATOM 1154 C ALA A 72 23.512 -8.390 -27.714 1.00 0.00 C ATOM 1155 O ALA A 72 23.496 -8.676 -26.515 1.00 0.00 O ATOM 1156 CB ALA A 72 25.106 -6.640 -28.635 1.00 0.00 C ATOM 0 H ALA A 72 24.940 -8.202 -30.526 1.00 0.00 H new ATOM 0 HA ALA A 72 25.633 -8.546 -27.778 1.00 0.00 H new ATOM 0 HB1 ALA A 72 25.038 -6.126 -27.676 1.00 0.00 H new ATOM 0 HB2 ALA A 72 26.099 -6.487 -29.058 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.356 -6.239 -29.316 1.00 0.00 H new ATOM 1162 N TYR A 73 22.382 -8.285 -28.458 1.00 0.00 N ATOM 1163 CA TYR A 73 21.024 -8.496 -27.887 1.00 0.00 C ATOM 1164 C TYR A 73 20.845 -9.962 -27.461 1.00 0.00 C ATOM 1165 O TYR A 73 20.280 -10.248 -26.392 1.00 0.00 O ATOM 1166 CB TYR A 73 19.911 -8.095 -28.892 1.00 0.00 C ATOM 1167 CG TYR A 73 18.477 -8.158 -28.314 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.946 -7.086 -27.593 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.654 -9.285 -28.482 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.668 -7.129 -27.066 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.371 -9.328 -27.956 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.884 -8.247 -27.249 1.00 0.00 C ATOM 1173 OH TYR A 73 14.607 -8.278 -26.729 1.00 0.00 O ATOM 0 H TYR A 73 22.382 -8.056 -29.452 1.00 0.00 H new ATOM 0 HA TYR A 73 20.932 -7.853 -27.012 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.104 -7.082 -29.244 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.969 -8.751 -29.761 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.548 -6.202 -27.443 1.00 0.00 H new ATOM 0 HD2 TYR A 73 18.028 -10.136 -29.032 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.284 -6.286 -26.511 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.756 -10.204 -28.099 1.00 0.00 H new ATOM 0 HH TYR A 73 14.067 -8.927 -27.227 1.00 0.00 H new ATOM 1183 N LYS A 74 21.328 -10.883 -28.320 1.00 0.00 N ATOM 1184 CA LYS A 74 21.337 -12.325 -28.024 1.00 0.00 C ATOM 1185 C LYS A 74 22.138 -12.574 -26.745 1.00 0.00 C ATOM 1186 O LYS A 74 21.610 -13.110 -25.789 1.00 0.00 O ATOM 1187 CB LYS A 74 21.943 -13.153 -29.194 1.00 0.00 C ATOM 1188 CG LYS A 74 21.069 -13.217 -30.456 1.00 0.00 C ATOM 1189 CD LYS A 74 21.624 -14.183 -31.533 1.00 0.00 C ATOM 1190 CE LYS A 74 22.993 -13.758 -32.085 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.418 -14.596 -33.238 1.00 0.00 N ATOM 0 H LYS A 74 21.720 -10.647 -29.232 1.00 0.00 H new ATOM 0 HA LYS A 74 20.305 -12.649 -27.891 1.00 0.00 H new ATOM 0 HB2 LYS A 74 22.910 -12.727 -29.460 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.128 -14.169 -28.845 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.063 -13.532 -30.178 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.984 -12.218 -30.883 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.707 -15.183 -31.106 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.912 -14.246 -32.356 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.950 -12.713 -32.393 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.739 -13.826 -31.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.347 -14.274 -33.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.485 -15.590 -32.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.720 -14.511 -34.005 1.00 0.00 H new ATOM 1205 N ASP A 75 23.388 -12.082 -26.734 1.00 0.00 N ATOM 1206 CA ASP A 75 24.331 -12.238 -25.606 1.00 0.00 C ATOM 1207 C ASP A 75 23.716 -11.747 -24.285 1.00 0.00 C ATOM 1208 O ASP A 75 23.894 -12.370 -23.261 1.00 0.00 O ATOM 1209 CB ASP A 75 25.644 -11.467 -25.906 1.00 0.00 C ATOM 1210 CG ASP A 75 26.740 -11.627 -24.835 1.00 0.00 C ATOM 1211 OD1 ASP A 75 27.056 -12.778 -24.471 1.00 0.00 O ATOM 1212 OD2 ASP A 75 27.321 -10.615 -24.383 1.00 0.00 O ATOM 0 H ASP A 75 23.780 -11.558 -27.516 1.00 0.00 H new ATOM 0 HA ASP A 75 24.552 -13.300 -25.494 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.038 -11.806 -26.864 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.411 -10.408 -26.014 1.00 0.00 H new ATOM 1217 N PHE A 76 22.946 -10.662 -24.365 1.00 0.00 N ATOM 1218 CA PHE A 76 22.272 -10.017 -23.221 1.00 0.00 C ATOM 1219 C PHE A 76 21.167 -10.923 -22.617 1.00 0.00 C ATOM 1220 O PHE A 76 21.165 -11.227 -21.399 1.00 0.00 O ATOM 1221 CB PHE A 76 21.689 -8.667 -23.724 1.00 0.00 C ATOM 1222 CG PHE A 76 21.150 -7.736 -22.653 1.00 0.00 C ATOM 1223 CD1 PHE A 76 21.802 -7.603 -21.429 1.00 0.00 C ATOM 1224 CD2 PHE A 76 19.998 -6.977 -22.872 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.324 -6.748 -20.466 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.522 -6.120 -21.903 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.182 -6.010 -20.701 1.00 0.00 C ATOM 0 H PHE A 76 22.764 -10.188 -25.250 1.00 0.00 H new ATOM 0 HA PHE A 76 22.987 -9.844 -22.417 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.467 -8.141 -24.277 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.886 -8.881 -24.430 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.694 -8.179 -21.235 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.474 -7.063 -23.812 1.00 0.00 H new ATOM 0 HE1 PHE A 76 21.843 -6.653 -19.524 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.632 -5.536 -22.087 1.00 0.00 H new ATOM 0 HZ PHE A 76 19.805 -5.344 -19.939 1.00 0.00 H new ATOM 1237 N CYS A 77 20.250 -11.368 -23.485 1.00 0.00 N ATOM 1238 CA CYS A 77 19.109 -12.213 -23.088 1.00 0.00 C ATOM 1239 C CYS A 77 19.576 -13.608 -22.607 1.00 0.00 C ATOM 1240 O CYS A 77 19.023 -14.160 -21.654 1.00 0.00 O ATOM 1241 CB CYS A 77 18.126 -12.328 -24.267 1.00 0.00 C ATOM 1242 SG CYS A 77 17.524 -10.734 -24.861 1.00 0.00 S ATOM 0 H CYS A 77 20.275 -11.155 -24.482 1.00 0.00 H new ATOM 0 HA CYS A 77 18.601 -11.744 -22.245 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.616 -12.851 -25.088 1.00 0.00 H new ATOM 0 HB3 CYS A 77 17.276 -12.938 -23.962 1.00 0.00 H new ATOM 0 HG CYS A 77 18.433 -10.177 -25.606 1.00 0.00 H new ATOM 1248 N GLU A 78 20.625 -14.139 -23.256 1.00 0.00 N ATOM 1249 CA GLU A 78 21.235 -15.441 -22.913 1.00 0.00 C ATOM 1250 C GLU A 78 22.114 -15.317 -21.648 1.00 0.00 C ATOM 1251 O GLU A 78 22.324 -16.294 -20.926 1.00 0.00 O ATOM 1252 CB GLU A 78 22.075 -15.974 -24.106 1.00 0.00 C ATOM 1253 CG GLU A 78 21.295 -16.128 -25.435 1.00 0.00 C ATOM 1254 CD GLU A 78 20.205 -17.211 -25.411 1.00 0.00 C ATOM 1255 OE1 GLU A 78 19.059 -16.920 -25.005 1.00 0.00 O ATOM 1256 OE2 GLU A 78 20.486 -18.357 -25.823 1.00 0.00 O ATOM 0 H GLU A 78 21.080 -13.675 -24.042 1.00 0.00 H new ATOM 0 HA GLU A 78 20.435 -16.151 -22.705 1.00 0.00 H new ATOM 0 HB2 GLU A 78 22.915 -15.299 -24.271 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.494 -16.943 -23.833 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.834 -15.172 -25.684 1.00 0.00 H new ATOM 0 HG3 GLU A 78 22.002 -16.359 -26.232 1.00 0.00 H new ATOM 1263 N HIS A 79 22.627 -14.090 -21.397 1.00 0.00 N ATOM 1264 CA HIS A 79 23.377 -13.754 -20.155 1.00 0.00 C ATOM 1265 C HIS A 79 22.421 -13.738 -18.955 1.00 0.00 C ATOM 1266 O HIS A 79 22.851 -13.915 -17.813 1.00 0.00 O ATOM 1267 CB HIS A 79 24.096 -12.382 -20.283 1.00 0.00 C ATOM 1268 CG HIS A 79 25.068 -12.047 -19.184 1.00 0.00 C ATOM 1269 ND1 HIS A 79 24.952 -10.932 -18.376 1.00 0.00 N ATOM 1270 CD2 HIS A 79 26.195 -12.682 -18.778 1.00 0.00 C ATOM 1271 CE1 HIS A 79 25.968 -10.893 -17.535 1.00 0.00 C ATOM 1272 NE2 HIS A 79 26.735 -11.943 -17.756 1.00 0.00 N ATOM 0 H HIS A 79 22.536 -13.306 -22.043 1.00 0.00 H new ATOM 0 HA HIS A 79 24.138 -14.519 -20.001 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.629 -12.360 -21.233 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.339 -11.599 -20.324 1.00 0.00 H new ATOM 0 HD2 HIS A 79 26.594 -13.600 -19.184 1.00 0.00 H new ATOM 0 HE1 HIS A 79 26.142 -10.130 -16.791 1.00 0.00 H new ATOM 0 HE2 HIS A 79 27.591 -12.169 -17.249 1.00 0.00 H new ATOM 1281 N GLY A 80 21.124 -13.501 -19.226 1.00 0.00 N ATOM 1282 CA GLY A 80 20.092 -13.684 -18.195 1.00 0.00 C ATOM 1283 C GLY A 80 19.739 -12.384 -17.510 1.00 0.00 C ATOM 1284 O GLY A 80 19.669 -12.338 -16.275 1.00 0.00 O ATOM 0 H GLY A 80 20.773 -13.189 -20.131 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.197 -14.109 -18.649 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.444 -14.401 -17.453 1.00 0.00 H new ATOM 1288 N THR A 81 19.569 -11.337 -18.337 1.00 0.00 N ATOM 1289 CA THR A 81 19.462 -9.919 -17.919 1.00 0.00 C ATOM 1290 C THR A 81 18.601 -9.675 -16.654 1.00 0.00 C ATOM 1291 O THR A 81 17.519 -10.252 -16.483 1.00 0.00 O ATOM 1292 CB THR A 81 18.908 -9.037 -19.098 1.00 0.00 C ATOM 1293 OG1 THR A 81 18.631 -7.702 -18.636 1.00 0.00 O ATOM 1294 CG2 THR A 81 17.646 -9.633 -19.751 1.00 0.00 C ATOM 0 H THR A 81 19.500 -11.453 -19.348 1.00 0.00 H new ATOM 0 HA THR A 81 20.479 -9.629 -17.657 1.00 0.00 H new ATOM 0 HB THR A 81 19.686 -9.013 -19.861 1.00 0.00 H new ATOM 0 HG1 THR A 81 19.078 -7.054 -19.220 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.311 -8.980 -20.557 1.00 0.00 H new ATOM 0 HG22 THR A 81 17.876 -10.619 -20.154 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.857 -9.722 -19.004 1.00 0.00 H new ATOM 1302 N LYS A 82 19.113 -8.765 -15.802 1.00 0.00 N ATOM 1303 CA LYS A 82 18.537 -8.437 -14.487 1.00 0.00 C ATOM 1304 C LYS A 82 17.511 -7.285 -14.580 1.00 0.00 C ATOM 1305 O LYS A 82 17.057 -6.766 -13.555 1.00 0.00 O ATOM 1306 CB LYS A 82 19.692 -8.061 -13.512 1.00 0.00 C ATOM 1307 CG LYS A 82 20.526 -6.823 -13.940 1.00 0.00 C ATOM 1308 CD LYS A 82 21.692 -6.505 -12.966 1.00 0.00 C ATOM 1309 CE LYS A 82 21.213 -6.300 -11.514 1.00 0.00 C ATOM 1310 NZ LYS A 82 22.331 -6.031 -10.577 1.00 0.00 N ATOM 0 H LYS A 82 19.954 -8.229 -16.014 1.00 0.00 H new ATOM 0 HA LYS A 82 18.002 -9.310 -14.113 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.269 -7.874 -12.525 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.360 -8.917 -13.415 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.931 -6.993 -14.938 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.869 -5.956 -14.006 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.416 -7.319 -12.994 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.209 -5.607 -13.304 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.509 -5.469 -11.482 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.673 -7.188 -11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.955 -5.901 -9.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.991 -6.834 -10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.832 -5.169 -10.872 1.00 0.00 H new ATOM 1324 N SER A 83 17.133 -6.920 -15.822 1.00 0.00 N ATOM 1325 CA SER A 83 16.216 -5.801 -16.106 1.00 0.00 C ATOM 1326 C SER A 83 14.779 -6.069 -15.612 1.00 0.00 C ATOM 1327 O SER A 83 13.971 -5.151 -15.552 1.00 0.00 O ATOM 1328 CB SER A 83 16.213 -5.521 -17.624 1.00 0.00 C ATOM 1329 OG SER A 83 15.838 -6.677 -18.370 1.00 0.00 O ATOM 0 H SER A 83 17.459 -7.398 -16.662 1.00 0.00 H new ATOM 0 HA SER A 83 16.577 -4.929 -15.560 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.523 -4.706 -17.843 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.204 -5.192 -17.936 1.00 0.00 H new ATOM 0 HG SER A 83 16.636 -7.208 -18.573 1.00 0.00 H new ATOM 1335 N GLY A 84 14.462 -7.342 -15.311 1.00 0.00 N ATOM 1336 CA GLY A 84 13.131 -7.725 -14.826 1.00 0.00 C ATOM 1337 C GLY A 84 12.050 -7.661 -15.908 1.00 0.00 C ATOM 1338 O GLY A 84 10.857 -7.803 -15.616 1.00 0.00 O ATOM 0 H GLY A 84 15.114 -8.122 -15.397 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.175 -8.738 -14.426 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.850 -7.069 -14.002 1.00 0.00 H new ATOM 1342 N LEU A 85 12.481 -7.479 -17.179 1.00 0.00 N ATOM 1343 CA LEU A 85 11.578 -7.368 -18.345 1.00 0.00 C ATOM 1344 C LEU A 85 11.425 -8.755 -19.008 1.00 0.00 C ATOM 1345 O LEU A 85 11.419 -8.884 -20.241 1.00 0.00 O ATOM 1346 CB LEU A 85 12.112 -6.311 -19.363 1.00 0.00 C ATOM 1347 CG LEU A 85 12.421 -4.873 -18.819 1.00 0.00 C ATOM 1348 CD1 LEU A 85 12.660 -3.881 -19.984 1.00 0.00 C ATOM 1349 CD2 LEU A 85 11.318 -4.361 -17.862 1.00 0.00 C ATOM 0 H LEU A 85 13.469 -7.405 -17.423 1.00 0.00 H new ATOM 0 HA LEU A 85 10.598 -7.028 -18.009 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.025 -6.705 -19.809 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.380 -6.217 -20.165 1.00 0.00 H new ATOM 0 HG LEU A 85 13.339 -4.939 -18.235 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.872 -2.891 -19.581 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.507 -4.219 -20.582 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.769 -3.834 -20.611 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.576 -3.362 -17.511 1.00 0.00 H new ATOM 0 HD22 LEU A 85 10.365 -4.325 -18.391 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.235 -5.035 -17.009 1.00 0.00 H new ATOM 1361 N ASN A 86 11.239 -9.789 -18.163 1.00 0.00 N ATOM 1362 CA ASN A 86 11.125 -11.204 -18.590 1.00 0.00 C ATOM 1363 C ASN A 86 9.639 -11.524 -18.912 1.00 0.00 C ATOM 1364 O ASN A 86 9.086 -12.553 -18.504 1.00 0.00 O ATOM 1365 CB ASN A 86 11.708 -12.111 -17.453 1.00 0.00 C ATOM 1366 CG ASN A 86 12.006 -13.554 -17.893 1.00 0.00 C ATOM 1367 OD1 ASN A 86 13.087 -13.850 -18.398 1.00 0.00 O ATOM 1368 ND2 ASN A 86 11.066 -14.462 -17.682 1.00 0.00 N ATOM 0 H ASN A 86 11.162 -9.667 -17.153 1.00 0.00 H new ATOM 0 HA ASN A 86 11.696 -11.395 -19.498 1.00 0.00 H new ATOM 0 HB2 ASN A 86 12.627 -11.660 -17.078 1.00 0.00 H new ATOM 0 HB3 ASN A 86 11.002 -12.134 -16.623 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.230 -15.435 -17.940 1.00 0.00 H new ATOM 0 HD22 ASN A 86 10.178 -14.188 -17.261 1.00 0.00 H new ATOM 1375 N GLN A 87 9.006 -10.608 -19.666 1.00 0.00 N ATOM 1376 CA GLN A 87 7.578 -10.662 -20.018 1.00 0.00 C ATOM 1377 C GLN A 87 7.385 -10.008 -21.402 1.00 0.00 C ATOM 1378 O GLN A 87 7.740 -8.835 -21.586 1.00 0.00 O ATOM 1379 CB GLN A 87 6.733 -9.921 -18.939 1.00 0.00 C ATOM 1380 CG GLN A 87 5.208 -9.943 -19.161 1.00 0.00 C ATOM 1381 CD GLN A 87 4.601 -11.346 -19.095 1.00 0.00 C ATOM 1382 OE1 GLN A 87 4.500 -12.048 -20.105 1.00 0.00 O ATOM 1383 NE2 GLN A 87 4.206 -11.765 -17.899 1.00 0.00 N ATOM 0 H GLN A 87 9.483 -9.794 -20.055 1.00 0.00 H new ATOM 0 HA GLN A 87 7.243 -11.698 -20.056 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.948 -10.364 -17.967 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.061 -8.883 -18.895 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.731 -9.314 -18.410 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.984 -9.504 -20.133 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.306 -11.156 -17.087 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.803 -12.696 -17.792 1.00 0.00 H new ATOM 1392 N GLY A 88 6.836 -10.773 -22.358 1.00 0.00 N ATOM 1393 CA GLY A 88 6.585 -10.277 -23.712 1.00 0.00 C ATOM 1394 C GLY A 88 5.784 -11.293 -24.531 1.00 0.00 C ATOM 1395 O GLY A 88 4.537 -11.240 -24.506 1.00 0.00 O ATOM 1396 OXT GLY A 88 6.397 -12.175 -25.171 1.00 0.00 O ATOM 0 H GLY A 88 6.557 -11.743 -22.213 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.040 -9.334 -23.662 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.533 -10.071 -24.209 1.00 0.00 H new TER 1400 GLY A 88