USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 514 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 Single : X 1 GLY N :NH3+ -110:sc= 0.0776 (180deg=0) USER MOD Single : X 5 THR OG1 : rot -64:sc= 1.14 USER MOD Single : X 16 GLN : amide:sc= -0.0279 K(o=-0.028,f=-1.3!) USER MOD Single : X 25 TYR OH : rot 180:sc= 0 USER MOD Single : X 27 ASN : amide:sc= -0.869 K(o=-0.87,f=-7.6!) USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 30 THR OG1 : rot 140:sc= 0 USER MOD Single : X 32 TYR OH : rot 180:sc= 0 USER MOD Single : X 34 SER OG : rot 180:sc= 0 USER MOD Single : X 35 SER OG : rot 54:sc= -0.516 USER MOD Single : X 36 SER OG : rot 180:sc= 0 USER MOD Single : X 41 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : X 42 THR OG1 : rot 180:sc= 0 USER MOD Single : X 52 SER OG : rot 180:sc= 0 USER MOD Single : X 60 MET CE :methyl 155:sc= -0.12 (180deg=-0.891) USER MOD Single : X 61 TYR OH : rot 180:sc= 0 USER MOD Single : X 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 69 LYS NZ :NH3+ -160:sc= -0.0393 (180deg=-0.491) USER MOD Single : X 70 SER OG : rot -170:sc= -0.96 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 31.045 -14.723 24.296 1.00 0.00 N ATOM 2 CA GLY X 1 31.433 -13.743 23.242 1.00 0.00 C ATOM 3 C GLY X 1 32.815 -14.095 22.704 1.00 0.00 C ATOM 4 O GLY X 1 33.593 -14.786 23.364 1.00 0.00 O ATOM 0 H1 GLY X 1 30.277 -15.328 23.942 1.00 0.00 H new ATOM 0 H2 GLY X 1 31.866 -15.313 24.540 1.00 0.00 H new ATOM 0 H3 GLY X 1 30.721 -14.213 25.142 1.00 0.00 H new ATOM 0 HA2 GLY X 1 30.702 -13.755 22.433 1.00 0.00 H new ATOM 0 HA3 GLY X 1 31.437 -12.733 23.653 1.00 0.00 H new ATOM 10 N GLY X 2 33.117 -13.613 21.502 1.00 0.00 N ATOM 11 CA GLY X 2 34.410 -13.884 20.884 1.00 0.00 C ATOM 12 C GLY X 2 34.575 -13.089 19.594 1.00 0.00 C ATOM 13 O GLY X 2 33.669 -12.370 19.171 1.00 0.00 O ATOM 0 H GLY X 2 32.489 -13.037 20.941 1.00 0.00 H new ATOM 0 HA2 GLY X 2 35.210 -13.628 21.578 1.00 0.00 H new ATOM 0 HA3 GLY X 2 34.500 -14.950 20.673 1.00 0.00 H new ATOM 17 N PRO X 3 35.709 -13.213 18.963 1.00 0.00 N ATOM 18 CA PRO X 3 36.011 -12.503 17.689 1.00 0.00 C ATOM 19 C PRO X 3 35.189 -13.028 16.518 1.00 0.00 C ATOM 20 O PRO X 3 35.132 -12.410 15.459 1.00 0.00 O ATOM 21 CB PRO X 3 37.504 -12.749 17.473 1.00 0.00 C ATOM 22 CG PRO X 3 37.802 -14.010 18.214 1.00 0.00 C ATOM 23 CD PRO X 3 36.835 -14.054 19.398 1.00 0.00 C ATOM 0 HA PRO X 3 35.758 -11.444 17.748 1.00 0.00 H new ATOM 0 HB2 PRO X 3 37.737 -12.850 16.413 1.00 0.00 H new ATOM 0 HB3 PRO X 3 38.099 -11.919 17.853 1.00 0.00 H new ATOM 0 HG2 PRO X 3 37.668 -14.880 17.571 1.00 0.00 H new ATOM 0 HG3 PRO X 3 38.837 -14.024 18.557 1.00 0.00 H new ATOM 0 HD2 PRO X 3 36.513 -15.073 19.614 1.00 0.00 H new ATOM 0 HD3 PRO X 3 37.297 -13.666 20.306 1.00 0.00 H new ATOM 31 N GLU X 4 34.549 -14.160 16.726 1.00 0.00 N ATOM 32 CA GLU X 4 33.718 -14.767 15.691 1.00 0.00 C ATOM 33 C GLU X 4 32.409 -14.002 15.525 1.00 0.00 C ATOM 34 O GLU X 4 31.640 -14.256 14.598 1.00 0.00 O ATOM 35 CB GLU X 4 33.419 -16.227 16.033 1.00 0.00 C ATOM 36 CG GLU X 4 34.713 -17.042 15.978 1.00 0.00 C ATOM 37 CD GLU X 4 34.434 -18.489 16.370 1.00 0.00 C ATOM 38 OE1 GLU X 4 33.315 -18.770 16.767 1.00 0.00 O ATOM 39 OE2 GLU X 4 35.343 -19.295 16.268 1.00 0.00 O ATOM 0 H GLU X 4 34.584 -14.683 17.601 1.00 0.00 H new ATOM 0 HA GLU X 4 34.270 -14.724 14.752 1.00 0.00 H new ATOM 0 HB2 GLU X 4 32.976 -16.295 17.027 1.00 0.00 H new ATOM 0 HB3 GLU X 4 32.691 -16.634 15.331 1.00 0.00 H new ATOM 0 HG2 GLU X 4 35.135 -17.003 14.974 1.00 0.00 H new ATOM 0 HG3 GLU X 4 35.453 -16.610 16.651 1.00 0.00 H new ATOM 46 N THR X 5 32.162 -13.066 16.429 1.00 0.00 N ATOM 47 CA THR X 5 30.945 -12.264 16.380 1.00 0.00 C ATOM 48 C THR X 5 31.262 -10.822 15.986 1.00 0.00 C ATOM 49 O THR X 5 30.413 -9.938 16.098 1.00 0.00 O ATOM 50 CB THR X 5 30.251 -12.284 17.743 1.00 0.00 C ATOM 51 OG1 THR X 5 31.115 -11.724 18.721 1.00 0.00 O ATOM 52 CG2 THR X 5 29.914 -13.725 18.123 1.00 0.00 C ATOM 0 H THR X 5 32.786 -12.842 17.205 1.00 0.00 H new ATOM 0 HA THR X 5 30.282 -12.693 15.629 1.00 0.00 H new ATOM 0 HB THR X 5 29.332 -11.699 17.692 1.00 0.00 H new ATOM 0 HG1 THR X 5 31.910 -12.289 18.817 1.00 0.00 H new ATOM 0 HG21 THR X 5 29.420 -13.739 19.094 1.00 0.00 H new ATOM 0 HG22 THR X 5 29.251 -14.154 17.372 1.00 0.00 H new ATOM 0 HG23 THR X 5 30.831 -14.312 18.174 1.00 0.00 H new ATOM 60 N LEU X 6 32.494 -10.589 15.532 1.00 0.00 N ATOM 61 CA LEU X 6 32.909 -9.255 15.127 1.00 0.00 C ATOM 62 C LEU X 6 33.719 -9.314 13.839 1.00 0.00 C ATOM 63 O LEU X 6 34.629 -8.512 13.630 1.00 0.00 O ATOM 64 CB LEU X 6 33.748 -8.614 16.234 1.00 0.00 C ATOM 65 CG LEU X 6 32.849 -8.273 17.425 1.00 0.00 C ATOM 66 CD1 LEU X 6 33.716 -7.889 18.626 1.00 0.00 C ATOM 67 CD2 LEU X 6 31.939 -7.095 17.057 1.00 0.00 C ATOM 0 H LEU X 6 33.214 -11.305 15.438 1.00 0.00 H new ATOM 0 HA LEU X 6 32.017 -8.653 14.952 1.00 0.00 H new ATOM 0 HB2 LEU X 6 34.539 -9.296 16.546 1.00 0.00 H new ATOM 0 HB3 LEU X 6 34.233 -7.712 15.861 1.00 0.00 H new ATOM 0 HG LEU X 6 32.239 -9.140 17.679 1.00 0.00 H new ATOM 0 HD11 LEU X 6 33.076 -7.646 19.474 1.00 0.00 H new ATOM 0 HD12 LEU X 6 34.365 -8.725 18.889 1.00 0.00 H new ATOM 0 HD13 LEU X 6 34.326 -7.022 18.372 1.00 0.00 H new ATOM 0 HD21 LEU X 6 31.298 -6.851 17.905 1.00 0.00 H new ATOM 0 HD22 LEU X 6 32.550 -6.229 16.803 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.321 -7.366 16.201 1.00 0.00 H new ATOM 79 N CYS X 7 33.391 -10.276 12.982 1.00 0.00 N ATOM 80 CA CYS X 7 34.098 -10.432 11.715 1.00 0.00 C ATOM 81 C CYS X 7 33.111 -10.544 10.556 1.00 0.00 C ATOM 82 O CYS X 7 32.008 -11.078 10.708 1.00 0.00 O ATOM 83 CB CYS X 7 34.978 -11.682 11.762 1.00 0.00 C ATOM 84 SG CYS X 7 36.275 -11.465 13.005 1.00 0.00 S ATOM 0 H CYS X 7 32.646 -10.955 13.140 1.00 0.00 H new ATOM 0 HA CYS X 7 34.722 -9.552 11.558 1.00 0.00 H new ATOM 0 HB2 CYS X 7 34.373 -12.556 12.002 1.00 0.00 H new ATOM 0 HB3 CYS X 7 35.424 -11.862 10.784 1.00 0.00 H new ATOM 89 N GLY X 8 33.518 -10.050 9.393 1.00 0.00 N ATOM 90 CA GLY X 8 32.667 -10.114 8.212 1.00 0.00 C ATOM 91 C GLY X 8 31.342 -9.398 8.452 1.00 0.00 C ATOM 92 O GLY X 8 31.314 -8.246 8.884 1.00 0.00 O ATOM 0 H GLY X 8 34.423 -9.605 9.243 1.00 0.00 H new ATOM 0 HA2 GLY X 8 33.181 -9.661 7.364 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.479 -11.155 7.951 1.00 0.00 H new ATOM 96 N ALA X 9 30.245 -10.089 8.165 1.00 0.00 N ATOM 97 CA ALA X 9 28.920 -9.512 8.349 1.00 0.00 C ATOM 98 C ALA X 9 28.697 -9.136 9.809 1.00 0.00 C ATOM 99 O ALA X 9 28.038 -8.139 10.108 1.00 0.00 O ATOM 100 CB ALA X 9 27.846 -10.509 7.905 1.00 0.00 C ATOM 0 H ALA X 9 30.247 -11.044 7.806 1.00 0.00 H new ATOM 0 HA ALA X 9 28.850 -8.611 7.739 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.859 -10.068 8.047 1.00 0.00 H new ATOM 0 HB2 ALA X 9 27.987 -10.751 6.852 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.926 -11.419 8.500 1.00 0.00 H new ATOM 106 N GLU X 10 29.237 -9.946 10.714 1.00 0.00 N ATOM 107 CA GLU X 10 29.071 -9.695 12.142 1.00 0.00 C ATOM 108 C GLU X 10 29.678 -8.348 12.519 1.00 0.00 C ATOM 109 O GLU X 10 29.100 -7.596 13.307 1.00 0.00 O ATOM 110 CB GLU X 10 29.754 -10.804 12.944 1.00 0.00 C ATOM 111 CG GLU X 10 29.021 -12.127 12.714 1.00 0.00 C ATOM 112 CD GLU X 10 27.645 -12.084 13.366 1.00 0.00 C ATOM 113 OE1 GLU X 10 27.431 -11.213 14.192 1.00 0.00 O ATOM 114 OE2 GLU X 10 26.826 -12.924 13.033 1.00 0.00 O ATOM 0 H GLU X 10 29.788 -10.774 10.488 1.00 0.00 H new ATOM 0 HA GLU X 10 28.006 -9.680 12.372 1.00 0.00 H new ATOM 0 HB2 GLU X 10 30.797 -10.897 12.641 1.00 0.00 H new ATOM 0 HB3 GLU X 10 29.751 -10.554 14.005 1.00 0.00 H new ATOM 0 HG2 GLU X 10 28.920 -12.314 11.645 1.00 0.00 H new ATOM 0 HG3 GLU X 10 29.603 -12.951 13.128 1.00 0.00 H new ATOM 121 N LEU X 11 30.837 -8.042 11.947 1.00 0.00 N ATOM 122 CA LEU X 11 31.503 -6.776 12.224 1.00 0.00 C ATOM 123 C LEU X 11 30.651 -5.606 11.741 1.00 0.00 C ATOM 124 O LEU X 11 30.505 -4.599 12.434 1.00 0.00 O ATOM 125 CB LEU X 11 32.868 -6.739 11.533 1.00 0.00 C ATOM 126 CG LEU X 11 33.561 -5.408 11.835 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.818 -5.291 13.338 1.00 0.00 C ATOM 128 CD2 LEU X 11 34.891 -5.347 11.083 1.00 0.00 C ATOM 0 H LEU X 11 31.332 -8.649 11.293 1.00 0.00 H new ATOM 0 HA LEU X 11 31.642 -6.688 13.302 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.485 -7.568 11.879 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.745 -6.861 10.457 1.00 0.00 H new ATOM 0 HG LEU X 11 32.922 -4.585 11.514 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.311 -4.342 13.550 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.870 -5.334 13.874 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.456 -6.113 13.663 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.387 -4.400 11.296 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.529 -6.171 11.404 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.707 -5.427 10.012 1.00 0.00 H new ATOM 140 N VAL X 12 30.091 -5.744 10.542 1.00 0.00 N ATOM 141 CA VAL X 12 29.250 -4.697 9.976 1.00 0.00 C ATOM 142 C VAL X 12 28.040 -4.435 10.865 1.00 0.00 C ATOM 143 O VAL X 12 27.668 -3.288 11.105 1.00 0.00 O ATOM 144 CB VAL X 12 28.788 -5.098 8.575 1.00 0.00 C ATOM 145 CG1 VAL X 12 27.642 -4.184 8.131 1.00 0.00 C ATOM 146 CG2 VAL X 12 29.956 -4.951 7.594 1.00 0.00 C ATOM 0 H VAL X 12 30.204 -6.565 9.948 1.00 0.00 H new ATOM 0 HA VAL X 12 29.838 -3.781 9.913 1.00 0.00 H new ATOM 0 HB VAL X 12 28.445 -6.133 8.590 1.00 0.00 H new ATOM 0 HG11 VAL X 12 27.314 -4.471 7.132 1.00 0.00 H new ATOM 0 HG12 VAL X 12 26.809 -4.280 8.828 1.00 0.00 H new ATOM 0 HG13 VAL X 12 27.986 -3.150 8.117 1.00 0.00 H new ATOM 0 HG21 VAL X 12 29.629 -5.236 6.594 1.00 0.00 H new ATOM 0 HG22 VAL X 12 30.294 -3.915 7.583 1.00 0.00 H new ATOM 0 HG23 VAL X 12 30.777 -5.597 7.906 1.00 0.00 H new ATOM 156 N ASP X 13 27.426 -5.513 11.343 1.00 0.00 N ATOM 157 CA ASP X 13 26.254 -5.394 12.198 1.00 0.00 C ATOM 158 C ASP X 13 26.599 -4.614 13.463 1.00 0.00 C ATOM 159 O ASP X 13 25.857 -3.722 13.876 1.00 0.00 O ATOM 160 CB ASP X 13 25.741 -6.783 12.579 1.00 0.00 C ATOM 161 CG ASP X 13 24.432 -6.663 13.352 1.00 0.00 C ATOM 162 OD1 ASP X 13 24.036 -5.545 13.638 1.00 0.00 O ATOM 163 OD2 ASP X 13 23.845 -7.690 13.646 1.00 0.00 O ATOM 0 H ASP X 13 27.719 -6.471 11.154 1.00 0.00 H new ATOM 0 HA ASP X 13 25.478 -4.860 11.650 1.00 0.00 H new ATOM 0 HB2 ASP X 13 25.589 -7.382 11.681 1.00 0.00 H new ATOM 0 HB3 ASP X 13 26.485 -7.300 13.185 1.00 0.00 H new ATOM 168 N ALA X 14 27.733 -4.949 14.071 1.00 0.00 N ATOM 169 CA ALA X 14 28.171 -4.266 15.282 1.00 0.00 C ATOM 170 C ALA X 14 28.421 -2.787 15.003 1.00 0.00 C ATOM 171 O ALA X 14 28.087 -1.926 15.818 1.00 0.00 O ATOM 172 CB ALA X 14 29.447 -4.913 15.818 1.00 0.00 C ATOM 0 H ALA X 14 28.361 -5.684 13.747 1.00 0.00 H new ATOM 0 HA ALA X 14 27.383 -4.353 16.030 1.00 0.00 H new ATOM 0 HB1 ALA X 14 29.765 -4.395 16.723 1.00 0.00 H new ATOM 0 HB2 ALA X 14 29.254 -5.961 16.049 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.233 -4.845 15.066 1.00 0.00 H new ATOM 178 N LEU X 15 29.013 -2.501 13.844 1.00 0.00 N ATOM 179 CA LEU X 15 29.301 -1.122 13.470 1.00 0.00 C ATOM 180 C LEU X 15 28.011 -0.317 13.349 1.00 0.00 C ATOM 181 O LEU X 15 27.928 0.813 13.830 1.00 0.00 O ATOM 182 CB LEU X 15 30.047 -1.095 12.133 1.00 0.00 C ATOM 183 CG LEU X 15 31.472 -1.612 12.330 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.108 -1.887 10.966 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.296 -0.552 13.068 1.00 0.00 C ATOM 0 H LEU X 15 29.299 -3.198 13.157 1.00 0.00 H new ATOM 0 HA LEU X 15 29.922 -0.675 14.247 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.524 -1.710 11.401 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.069 -0.079 11.738 1.00 0.00 H new ATOM 0 HG LEU X 15 31.449 -2.533 12.913 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.124 -2.256 11.106 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.520 -2.636 10.435 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.133 -0.966 10.384 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.313 -0.916 13.211 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.318 0.366 12.480 1.00 0.00 H new ATOM 0 HD23 LEU X 15 31.843 -0.350 14.039 1.00 0.00 H new ATOM 197 N GLN X 16 27.004 -0.915 12.722 1.00 0.00 N ATOM 198 CA GLN X 16 25.716 -0.250 12.557 1.00 0.00 C ATOM 199 C GLN X 16 25.041 -0.059 13.911 1.00 0.00 C ATOM 200 O GLN X 16 24.435 0.971 14.173 1.00 0.00 O ATOM 201 CB GLN X 16 24.809 -1.081 11.649 1.00 0.00 C ATOM 202 CG GLN X 16 25.351 -1.045 10.220 1.00 0.00 C ATOM 203 CD GLN X 16 24.581 -2.030 9.346 1.00 0.00 C ATOM 204 OE1 GLN X 16 24.108 -3.056 9.835 1.00 0.00 O ATOM 205 NE2 GLN X 16 24.426 -1.776 8.076 1.00 0.00 N ATOM 0 H GLN X 16 27.053 -1.852 12.322 1.00 0.00 H new ATOM 0 HA GLN X 16 25.887 0.726 12.102 1.00 0.00 H new ATOM 0 HB2 GLN X 16 24.762 -2.110 12.006 1.00 0.00 H new ATOM 0 HB3 GLN X 16 23.792 -0.688 11.674 1.00 0.00 H new ATOM 0 HG2 GLN X 16 25.261 -0.038 9.813 1.00 0.00 H new ATOM 0 HG3 GLN X 16 26.412 -1.296 10.218 1.00 0.00 H new ATOM 0 HE21 GLN X 16 24.819 -0.925 7.674 1.00 0.00 H new ATOM 0 HE22 GLN X 16 23.911 -2.428 7.484 1.00 0.00 H new ATOM 214 N PHE X 17 25.151 -1.063 14.770 1.00 0.00 N ATOM 215 CA PHE X 17 24.548 -0.988 16.095 1.00 0.00 C ATOM 216 C PHE X 17 25.108 0.187 16.885 1.00 0.00 C ATOM 217 O PHE X 17 24.357 0.964 17.475 1.00 0.00 O ATOM 218 CB PHE X 17 24.817 -2.288 16.863 1.00 0.00 C ATOM 219 CG PHE X 17 24.442 -2.110 18.315 1.00 0.00 C ATOM 220 CD1 PHE X 17 23.116 -2.288 18.728 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.427 -1.755 19.249 1.00 0.00 C ATOM 222 CE1 PHE X 17 22.773 -2.117 20.075 1.00 0.00 C ATOM 223 CE2 PHE X 17 25.081 -1.584 20.595 1.00 0.00 C ATOM 224 CZ PHE X 17 23.757 -1.764 21.009 1.00 0.00 C ATOM 0 H PHE X 17 25.648 -1.933 14.576 1.00 0.00 H new ATOM 0 HA PHE X 17 23.475 -0.845 15.971 1.00 0.00 H new ATOM 0 HB2 PHE X 17 24.242 -3.105 16.427 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.869 -2.559 16.780 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.358 -2.557 18.008 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.449 -1.614 18.931 1.00 0.00 H new ATOM 0 HE1 PHE X 17 21.751 -2.257 20.394 1.00 0.00 H new ATOM 0 HE2 PHE X 17 25.838 -1.312 21.315 1.00 0.00 H new ATOM 0 HZ PHE X 17 23.493 -1.631 22.048 1.00 0.00 H new ATOM 234 N VAL X 18 26.431 0.297 16.911 1.00 0.00 N ATOM 235 CA VAL X 18 27.081 1.366 17.659 1.00 0.00 C ATOM 236 C VAL X 18 26.699 2.730 17.095 1.00 0.00 C ATOM 237 O VAL X 18 26.360 3.648 17.841 1.00 0.00 O ATOM 238 CB VAL X 18 28.600 1.196 17.597 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.276 2.371 18.301 1.00 0.00 C ATOM 240 CG2 VAL X 18 28.999 -0.111 18.285 1.00 0.00 C ATOM 0 H VAL X 18 27.070 -0.335 16.428 1.00 0.00 H new ATOM 0 HA VAL X 18 26.748 1.310 18.695 1.00 0.00 H new ATOM 0 HB VAL X 18 28.917 1.167 16.555 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.358 2.248 18.256 1.00 0.00 H new ATOM 0 HG12 VAL X 18 28.995 3.301 17.807 1.00 0.00 H new ATOM 0 HG13 VAL X 18 28.958 2.403 19.343 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.082 -0.230 18.240 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.680 -0.086 19.327 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.520 -0.949 17.779 1.00 0.00 H new ATOM 250 N CYS X 19 26.761 2.856 15.773 1.00 0.00 N ATOM 251 CA CYS X 19 26.428 4.116 15.121 1.00 0.00 C ATOM 252 C CYS X 19 25.340 3.912 14.073 1.00 0.00 C ATOM 253 O CYS X 19 25.578 4.075 12.878 1.00 0.00 O ATOM 254 CB CYS X 19 27.678 4.701 14.459 1.00 0.00 C ATOM 255 SG CYS X 19 28.946 4.991 15.719 1.00 0.00 S ATOM 0 H CYS X 19 27.036 2.107 15.137 1.00 0.00 H new ATOM 0 HA CYS X 19 26.056 4.808 15.876 1.00 0.00 H new ATOM 0 HB2 CYS X 19 28.055 4.016 13.699 1.00 0.00 H new ATOM 0 HB3 CYS X 19 27.432 5.635 13.953 1.00 0.00 H new ATOM 260 N GLY X 20 24.145 3.556 14.530 1.00 0.00 N ATOM 261 CA GLY X 20 23.030 3.338 13.617 1.00 0.00 C ATOM 262 C GLY X 20 22.650 4.622 12.894 1.00 0.00 C ATOM 263 O GLY X 20 22.416 4.621 11.684 1.00 0.00 O ATOM 0 H GLY X 20 23.925 3.414 15.516 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.298 2.573 12.888 1.00 0.00 H new ATOM 0 HA3 GLY X 20 22.170 2.962 14.172 1.00 0.00 H new ATOM 267 N ASP X 21 22.579 5.717 13.644 1.00 0.00 N ATOM 268 CA ASP X 21 22.214 7.004 13.064 1.00 0.00 C ATOM 269 C ASP X 21 23.427 7.680 12.436 1.00 0.00 C ATOM 270 O ASP X 21 23.393 8.079 11.271 1.00 0.00 O ATOM 271 CB ASP X 21 21.624 7.913 14.145 1.00 0.00 C ATOM 272 CG ASP X 21 21.058 9.179 13.511 1.00 0.00 C ATOM 273 OD1 ASP X 21 21.275 9.376 12.328 1.00 0.00 O ATOM 274 OD2 ASP X 21 20.414 9.936 14.220 1.00 0.00 O ATOM 0 H ASP X 21 22.768 5.740 14.646 1.00 0.00 H new ATOM 0 HA ASP X 21 21.471 6.830 12.286 1.00 0.00 H new ATOM 0 HB2 ASP X 21 20.839 7.385 14.686 1.00 0.00 H new ATOM 0 HB3 ASP X 21 22.393 8.173 14.872 1.00 0.00 H new ATOM 279 N ARG X 22 24.494 7.814 13.217 1.00 0.00 N ATOM 280 CA ARG X 22 25.708 8.452 12.728 1.00 0.00 C ATOM 281 C ARG X 22 26.305 7.661 11.569 1.00 0.00 C ATOM 282 O ARG X 22 26.767 8.239 10.586 1.00 0.00 O ATOM 283 CB ARG X 22 26.733 8.554 13.859 1.00 0.00 C ATOM 284 CG ARG X 22 26.253 9.571 14.895 1.00 0.00 C ATOM 285 CD ARG X 22 27.163 9.518 16.120 1.00 0.00 C ATOM 286 NE ARG X 22 27.006 8.246 16.814 1.00 0.00 N ATOM 287 CZ ARG X 22 27.774 7.927 17.853 1.00 0.00 C ATOM 288 NH1 ARG X 22 28.696 8.758 18.272 1.00 0.00 N ATOM 289 NH2 ARG X 22 27.611 6.781 18.458 1.00 0.00 N ATOM 0 H ARG X 22 24.542 7.492 14.184 1.00 0.00 H new ATOM 0 HA ARG X 22 25.452 9.451 12.374 1.00 0.00 H new ATOM 0 HB2 ARG X 22 26.871 7.580 14.328 1.00 0.00 H new ATOM 0 HB3 ARG X 22 27.701 8.856 13.460 1.00 0.00 H new ATOM 0 HG2 ARG X 22 26.260 10.573 14.467 1.00 0.00 H new ATOM 0 HG3 ARG X 22 25.224 9.355 15.183 1.00 0.00 H new ATOM 0 HD2 ARG X 22 28.202 9.648 15.815 1.00 0.00 H new ATOM 0 HD3 ARG X 22 26.924 10.340 16.795 1.00 0.00 H new ATOM 0 HE ARG X 22 26.294 7.588 16.497 1.00 0.00 H new ATOM 0 HH11 ARG X 22 28.827 9.653 17.802 1.00 0.00 H new ATOM 0 HH12 ARG X 22 29.282 8.510 19.069 1.00 0.00 H new ATOM 0 HH21 ARG X 22 26.895 6.131 18.134 1.00 0.00 H new ATOM 0 HH22 ARG X 22 28.200 6.536 19.254 1.00 0.00 H new ATOM 303 N GLY X 23 26.289 6.339 11.691 1.00 0.00 N ATOM 304 CA GLY X 23 26.831 5.479 10.648 1.00 0.00 C ATOM 305 C GLY X 23 28.355 5.448 10.706 1.00 0.00 C ATOM 306 O GLY X 23 28.962 6.021 11.611 1.00 0.00 O ATOM 0 H GLY X 23 25.909 5.842 12.497 1.00 0.00 H new ATOM 0 HA2 GLY X 23 26.438 4.469 10.763 1.00 0.00 H new ATOM 0 HA3 GLY X 23 26.507 5.837 9.671 1.00 0.00 H new ATOM 310 N PHE X 24 28.966 4.779 9.734 1.00 0.00 N ATOM 311 CA PHE X 24 30.420 4.684 9.682 1.00 0.00 C ATOM 312 C PHE X 24 30.897 4.500 8.247 1.00 0.00 C ATOM 313 O PHE X 24 30.132 4.081 7.379 1.00 0.00 O ATOM 314 CB PHE X 24 30.889 3.507 10.539 1.00 0.00 C ATOM 315 CG PHE X 24 30.331 2.221 9.981 1.00 0.00 C ATOM 316 CD1 PHE X 24 31.109 1.430 9.128 1.00 0.00 C ATOM 317 CD2 PHE X 24 29.031 1.823 10.313 1.00 0.00 C ATOM 318 CE1 PHE X 24 30.588 0.240 8.609 1.00 0.00 C ATOM 319 CE2 PHE X 24 28.511 0.633 9.795 1.00 0.00 C ATOM 320 CZ PHE X 24 29.288 -0.159 8.943 1.00 0.00 C ATOM 0 H PHE X 24 28.481 4.298 8.977 1.00 0.00 H new ATOM 0 HA PHE X 24 30.844 5.610 10.070 1.00 0.00 H new ATOM 0 HB2 PHE X 24 31.978 3.466 10.554 1.00 0.00 H new ATOM 0 HB3 PHE X 24 30.561 3.641 11.570 1.00 0.00 H new ATOM 0 HD1 PHE X 24 32.112 1.738 8.870 1.00 0.00 H new ATOM 0 HD2 PHE X 24 28.430 2.435 10.969 1.00 0.00 H new ATOM 0 HE1 PHE X 24 31.188 -0.371 7.951 1.00 0.00 H new ATOM 0 HE2 PHE X 24 27.509 0.325 10.053 1.00 0.00 H new ATOM 0 HZ PHE X 24 28.885 -1.078 8.543 1.00 0.00 H new ATOM 330 N TYR X 25 32.164 4.815 8.004 1.00 0.00 N ATOM 331 CA TYR X 25 32.730 4.677 6.668 1.00 0.00 C ATOM 332 C TYR X 25 34.224 4.378 6.746 1.00 0.00 C ATOM 333 O TYR X 25 34.864 4.626 7.769 1.00 0.00 O ATOM 334 CB TYR X 25 32.511 5.968 5.874 1.00 0.00 C ATOM 335 CG TYR X 25 33.327 7.083 6.484 1.00 0.00 C ATOM 336 CD1 TYR X 25 34.635 7.316 6.038 1.00 0.00 C ATOM 337 CD2 TYR X 25 32.780 7.881 7.495 1.00 0.00 C ATOM 338 CE1 TYR X 25 35.393 8.349 6.601 1.00 0.00 C ATOM 339 CE2 TYR X 25 33.539 8.914 8.059 1.00 0.00 C ATOM 340 CZ TYR X 25 34.846 9.147 7.613 1.00 0.00 C ATOM 341 OH TYR X 25 35.593 10.165 8.170 1.00 0.00 O ATOM 0 H TYR X 25 32.814 5.165 8.708 1.00 0.00 H new ATOM 0 HA TYR X 25 32.230 3.849 6.166 1.00 0.00 H new ATOM 0 HB2 TYR X 25 32.799 5.820 4.833 1.00 0.00 H new ATOM 0 HB3 TYR X 25 31.454 6.234 5.877 1.00 0.00 H new ATOM 0 HD1 TYR X 25 35.058 6.698 5.260 1.00 0.00 H new ATOM 0 HD2 TYR X 25 31.773 7.700 7.840 1.00 0.00 H new ATOM 0 HE1 TYR X 25 36.400 8.531 6.255 1.00 0.00 H new ATOM 0 HE2 TYR X 25 33.116 9.531 8.838 1.00 0.00 H new ATOM 0 HH TYR X 25 35.063 10.621 8.857 1.00 0.00 H new ATOM 351 N PHE X 26 34.775 3.854 5.655 1.00 0.00 N ATOM 352 CA PHE X 26 36.198 3.537 5.612 1.00 0.00 C ATOM 353 C PHE X 26 36.894 4.360 4.530 1.00 0.00 C ATOM 354 O PHE X 26 36.553 4.269 3.352 1.00 0.00 O ATOM 355 CB PHE X 26 36.391 2.046 5.324 1.00 0.00 C ATOM 356 CG PHE X 26 35.755 1.235 6.426 1.00 0.00 C ATOM 357 CD1 PHE X 26 34.454 0.742 6.270 1.00 0.00 C ATOM 358 CD2 PHE X 26 36.464 0.975 7.605 1.00 0.00 C ATOM 359 CE1 PHE X 26 33.862 -0.010 7.291 1.00 0.00 C ATOM 360 CE2 PHE X 26 35.872 0.222 8.626 1.00 0.00 C ATOM 361 CZ PHE X 26 34.571 -0.270 8.470 1.00 0.00 C ATOM 0 H PHE X 26 34.264 3.642 4.798 1.00 0.00 H new ATOM 0 HA PHE X 26 36.637 3.780 6.579 1.00 0.00 H new ATOM 0 HB2 PHE X 26 35.943 1.789 4.364 1.00 0.00 H new ATOM 0 HB3 PHE X 26 37.453 1.813 5.253 1.00 0.00 H new ATOM 0 HD1 PHE X 26 33.907 0.942 5.361 1.00 0.00 H new ATOM 0 HD2 PHE X 26 37.467 1.355 7.727 1.00 0.00 H new ATOM 0 HE1 PHE X 26 32.858 -0.390 7.170 1.00 0.00 H new ATOM 0 HE2 PHE X 26 36.420 0.021 9.535 1.00 0.00 H new ATOM 0 HZ PHE X 26 34.114 -0.850 9.258 1.00 0.00 H new ATOM 371 N ASN X 27 37.874 5.158 4.940 1.00 0.00 N ATOM 372 CA ASN X 27 38.615 5.990 4.001 1.00 0.00 C ATOM 373 C ASN X 27 40.054 5.499 3.869 1.00 0.00 C ATOM 374 O ASN X 27 40.953 6.265 3.521 1.00 0.00 O ATOM 375 CB ASN X 27 38.609 7.443 4.472 1.00 0.00 C ATOM 376 CG ASN X 27 39.401 7.576 5.767 1.00 0.00 C ATOM 377 OD1 ASN X 27 39.758 6.572 6.382 1.00 0.00 O ATOM 378 ND2 ASN X 27 39.702 8.763 6.219 1.00 0.00 N ATOM 0 H ASN X 27 38.172 5.246 5.912 1.00 0.00 H new ATOM 0 HA ASN X 27 38.131 5.924 3.027 1.00 0.00 H new ATOM 0 HB2 ASN X 27 39.042 8.084 3.704 1.00 0.00 H new ATOM 0 HB3 ASN X 27 37.584 7.779 4.627 1.00 0.00 H new ATOM 0 HD21 ASN X 27 40.234 8.860 7.084 1.00 0.00 H new ATOM 0 HD22 ASN X 27 39.405 9.594 5.707 1.00 0.00 H new ATOM 385 N LYS X 28 40.267 4.219 4.157 1.00 0.00 N ATOM 386 CA LYS X 28 41.603 3.640 4.076 1.00 0.00 C ATOM 387 C LYS X 28 42.593 4.444 4.913 1.00 0.00 C ATOM 388 O LYS X 28 43.548 5.015 4.386 1.00 0.00 O ATOM 389 CB LYS X 28 42.069 3.612 2.619 1.00 0.00 C ATOM 390 CG LYS X 28 41.068 2.820 1.775 1.00 0.00 C ATOM 391 CD LYS X 28 41.104 1.346 2.181 1.00 0.00 C ATOM 392 CE LYS X 28 40.173 0.542 1.275 1.00 0.00 C ATOM 393 NZ LYS X 28 40.162 -0.883 1.711 1.00 0.00 N ATOM 0 H LYS X 28 39.538 3.567 4.446 1.00 0.00 H new ATOM 0 HA LYS X 28 41.561 2.623 4.467 1.00 0.00 H new ATOM 0 HB2 LYS X 28 42.159 4.628 2.236 1.00 0.00 H new ATOM 0 HB3 LYS X 28 43.057 3.157 2.551 1.00 0.00 H new ATOM 0 HG2 LYS X 28 40.064 3.221 1.913 1.00 0.00 H new ATOM 0 HG3 LYS X 28 41.309 2.922 0.717 1.00 0.00 H new ATOM 0 HD2 LYS X 28 42.122 0.962 2.106 1.00 0.00 H new ATOM 0 HD3 LYS X 28 40.798 1.237 3.222 1.00 0.00 H new ATOM 0 HE2 LYS X 28 39.164 0.953 1.316 1.00 0.00 H new ATOM 0 HE3 LYS X 28 40.505 0.614 0.239 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 39.528 -1.430 1.094 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 41.125 -1.272 1.650 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 39.826 -0.943 2.693 1.00 0.00 H new ATOM 407 N PRO X 29 42.375 4.497 6.200 1.00 0.00 N ATOM 408 CA PRO X 29 43.259 5.244 7.141 1.00 0.00 C ATOM 409 C PRO X 29 44.608 4.555 7.331 1.00 0.00 C ATOM 410 O PRO X 29 45.576 5.175 7.773 1.00 0.00 O ATOM 411 CB PRO X 29 42.462 5.268 8.445 1.00 0.00 C ATOM 412 CG PRO X 29 41.560 4.083 8.381 1.00 0.00 C ATOM 413 CD PRO X 29 41.260 3.841 6.901 1.00 0.00 C ATOM 0 HA PRO X 29 43.504 6.240 6.772 1.00 0.00 H new ATOM 0 HB2 PRO X 29 43.123 5.212 9.310 1.00 0.00 H new ATOM 0 HB3 PRO X 29 41.891 6.192 8.539 1.00 0.00 H new ATOM 0 HG2 PRO X 29 42.035 3.210 8.828 1.00 0.00 H new ATOM 0 HG3 PRO X 29 40.641 4.265 8.938 1.00 0.00 H new ATOM 0 HD2 PRO X 29 41.215 2.776 6.672 1.00 0.00 H new ATOM 0 HD3 PRO X 29 40.300 4.270 6.613 1.00 0.00 H new ATOM 421 N THR X 30 44.662 3.269 6.999 1.00 0.00 N ATOM 422 CA THR X 30 45.895 2.504 7.141 1.00 0.00 C ATOM 423 C THR X 30 46.999 3.107 6.279 1.00 0.00 C ATOM 424 O THR X 30 46.790 3.398 5.101 1.00 0.00 O ATOM 425 CB THR X 30 45.660 1.050 6.729 1.00 0.00 C ATOM 426 OG1 THR X 30 44.667 0.477 7.570 1.00 0.00 O ATOM 427 CG2 THR X 30 46.964 0.260 6.864 1.00 0.00 C ATOM 0 H THR X 30 43.872 2.738 6.632 1.00 0.00 H new ATOM 0 HA THR X 30 46.204 2.538 8.186 1.00 0.00 H new ATOM 0 HB THR X 30 45.324 1.016 5.692 1.00 0.00 H new ATOM 0 HG1 THR X 30 44.074 -0.091 7.035 1.00 0.00 H new ATOM 0 HG21 THR X 30 46.794 -0.776 6.570 1.00 0.00 H new ATOM 0 HG22 THR X 30 47.725 0.700 6.219 1.00 0.00 H new ATOM 0 HG23 THR X 30 47.303 0.292 7.899 1.00 0.00 H new ATOM 435 N GLY X 31 48.174 3.296 6.875 1.00 0.00 N ATOM 436 CA GLY X 31 49.301 3.869 6.151 1.00 0.00 C ATOM 437 C GLY X 31 50.612 3.240 6.606 1.00 0.00 C ATOM 438 O GLY X 31 51.171 3.619 7.637 1.00 0.00 O ATOM 0 H GLY X 31 48.368 3.062 7.849 1.00 0.00 H new ATOM 0 HA2 GLY X 31 49.169 3.712 5.080 1.00 0.00 H new ATOM 0 HA3 GLY X 31 49.334 4.946 6.313 1.00 0.00 H new ATOM 442 N TYR X 32 51.106 2.284 5.829 1.00 0.00 N ATOM 443 CA TYR X 32 52.351 1.607 6.164 1.00 0.00 C ATOM 444 C TYR X 32 53.496 2.610 6.259 1.00 0.00 C ATOM 445 O TYR X 32 54.431 2.429 7.038 1.00 0.00 O ATOM 446 CB TYR X 32 52.679 0.555 5.102 1.00 0.00 C ATOM 447 CG TYR X 32 51.721 -0.605 5.229 1.00 0.00 C ATOM 448 CD1 TYR X 32 50.512 -0.594 4.523 1.00 0.00 C ATOM 449 CD2 TYR X 32 52.041 -1.691 6.052 1.00 0.00 C ATOM 450 CE1 TYR X 32 49.623 -1.669 4.640 1.00 0.00 C ATOM 451 CE2 TYR X 32 51.154 -2.768 6.169 1.00 0.00 C ATOM 452 CZ TYR X 32 49.943 -2.756 5.463 1.00 0.00 C ATOM 453 OH TYR X 32 49.068 -3.817 5.579 1.00 0.00 O ATOM 0 H TYR X 32 50.666 1.962 4.967 1.00 0.00 H new ATOM 0 HA TYR X 32 52.227 1.119 7.131 1.00 0.00 H new ATOM 0 HB2 TYR X 32 52.606 0.993 4.107 1.00 0.00 H new ATOM 0 HB3 TYR X 32 53.705 0.208 5.223 1.00 0.00 H new ATOM 0 HD1 TYR X 32 50.265 0.244 3.888 1.00 0.00 H new ATOM 0 HD2 TYR X 32 52.973 -1.698 6.597 1.00 0.00 H new ATOM 0 HE1 TYR X 32 48.690 -1.660 4.096 1.00 0.00 H new ATOM 0 HE2 TYR X 32 51.402 -3.607 6.802 1.00 0.00 H new ATOM 0 HH TYR X 32 49.444 -4.486 6.188 1.00 0.00 H new ATOM 463 N GLY X 33 53.414 3.668 5.464 1.00 0.00 N ATOM 464 CA GLY X 33 54.443 4.699 5.469 1.00 0.00 C ATOM 465 C GLY X 33 54.567 5.344 6.847 1.00 0.00 C ATOM 466 O GLY X 33 55.666 5.669 7.294 1.00 0.00 O ATOM 0 H GLY X 33 52.649 3.835 4.810 1.00 0.00 H new ATOM 0 HA2 GLY X 33 55.400 4.264 5.180 1.00 0.00 H new ATOM 0 HA3 GLY X 33 54.203 5.461 4.728 1.00 0.00 H new ATOM 470 N SER X 34 53.429 5.532 7.511 1.00 0.00 N ATOM 471 CA SER X 34 53.420 6.144 8.835 1.00 0.00 C ATOM 472 C SER X 34 53.119 5.107 9.912 1.00 0.00 C ATOM 473 O SER X 34 52.910 5.454 11.075 1.00 0.00 O ATOM 474 CB SER X 34 52.375 7.257 8.881 1.00 0.00 C ATOM 475 OG SER X 34 51.086 6.699 8.653 1.00 0.00 O ATOM 0 H SER X 34 52.509 5.271 7.157 1.00 0.00 H new ATOM 0 HA SER X 34 54.408 6.562 9.028 1.00 0.00 H new ATOM 0 HB2 SER X 34 52.402 7.757 9.849 1.00 0.00 H new ATOM 0 HB3 SER X 34 52.596 8.011 8.126 1.00 0.00 H new ATOM 0 HG SER X 34 50.412 7.410 8.683 1.00 0.00 H new ATOM 481 N SER X 35 53.093 3.835 9.521 1.00 0.00 N ATOM 482 CA SER X 35 52.815 2.762 10.461 1.00 0.00 C ATOM 483 C SER X 35 53.623 1.519 10.103 1.00 0.00 C ATOM 484 O SER X 35 53.567 1.032 8.976 1.00 0.00 O ATOM 485 CB SER X 35 51.324 2.430 10.442 1.00 0.00 C ATOM 486 OG SER X 35 51.091 1.285 11.252 1.00 0.00 O ATOM 0 H SER X 35 53.261 3.527 8.563 1.00 0.00 H new ATOM 0 HA SER X 35 53.100 3.091 11.460 1.00 0.00 H new ATOM 0 HB2 SER X 35 50.746 3.276 10.813 1.00 0.00 H new ATOM 0 HB3 SER X 35 50.994 2.241 9.420 1.00 0.00 H new ATOM 0 HG SER X 35 51.463 1.436 12.146 1.00 0.00 H new ATOM 492 N SER X 36 54.369 1.009 11.071 1.00 0.00 N ATOM 493 CA SER X 36 55.181 -0.183 10.851 1.00 0.00 C ATOM 494 C SER X 36 54.295 -1.419 10.733 1.00 0.00 C ATOM 495 O SER X 36 53.332 -1.575 11.484 1.00 0.00 O ATOM 496 CB SER X 36 56.166 -0.367 12.006 1.00 0.00 C ATOM 497 OG SER X 36 57.066 0.734 12.035 1.00 0.00 O ATOM 0 H SER X 36 54.431 1.397 12.012 1.00 0.00 H new ATOM 0 HA SER X 36 55.735 -0.055 9.921 1.00 0.00 H new ATOM 0 HB2 SER X 36 55.627 -0.436 12.951 1.00 0.00 H new ATOM 0 HB3 SER X 36 56.717 -1.299 11.884 1.00 0.00 H new ATOM 0 HG SER X 36 57.698 0.620 12.775 1.00 0.00 H new ATOM 503 N ARG X 37 54.631 -2.296 9.793 1.00 0.00 N ATOM 504 CA ARG X 37 53.861 -3.518 9.588 1.00 0.00 C ATOM 505 C ARG X 37 53.888 -4.383 10.845 1.00 0.00 C ATOM 506 O ARG X 37 53.039 -5.256 11.028 1.00 0.00 O ATOM 507 CB ARG X 37 54.433 -4.306 8.409 1.00 0.00 C ATOM 508 CG ARG X 37 55.820 -4.836 8.775 1.00 0.00 C ATOM 509 CD ARG X 37 56.432 -5.536 7.564 1.00 0.00 C ATOM 510 NE ARG X 37 57.774 -6.012 7.879 1.00 0.00 N ATOM 511 CZ ARG X 37 58.523 -6.613 6.958 1.00 0.00 C ATOM 512 NH1 ARG X 37 58.064 -6.792 5.745 1.00 0.00 N ATOM 513 NH2 ARG X 37 59.724 -7.027 7.265 1.00 0.00 N ATOM 0 H ARG X 37 55.426 -2.185 9.164 1.00 0.00 H new ATOM 0 HA ARG X 37 52.829 -3.244 9.371 1.00 0.00 H new ATOM 0 HB2 ARG X 37 53.771 -5.134 8.156 1.00 0.00 H new ATOM 0 HB3 ARG X 37 54.497 -3.668 7.528 1.00 0.00 H new ATOM 0 HG2 ARG X 37 56.461 -4.016 9.097 1.00 0.00 H new ATOM 0 HG3 ARG X 37 55.747 -5.531 9.612 1.00 0.00 H new ATOM 0 HD2 ARG X 37 55.803 -6.374 7.263 1.00 0.00 H new ATOM 0 HD3 ARG X 37 56.472 -4.848 6.719 1.00 0.00 H new ATOM 0 HE ARG X 37 58.144 -5.882 8.820 1.00 0.00 H new ATOM 0 HH11 ARG X 37 57.127 -6.470 5.501 1.00 0.00 H new ATOM 0 HH12 ARG X 37 58.643 -7.253 5.043 1.00 0.00 H new ATOM 0 HH21 ARG X 37 60.085 -6.889 8.209 1.00 0.00 H new ATOM 0 HH22 ARG X 37 60.300 -7.488 6.561 1.00 0.00 H new ATOM 527 N ARG X 38 54.868 -4.134 11.711 1.00 0.00 N ATOM 528 CA ARG X 38 54.990 -4.893 12.948 1.00 0.00 C ATOM 529 C ARG X 38 53.737 -4.725 13.801 1.00 0.00 C ATOM 530 O ARG X 38 53.230 -5.689 14.374 1.00 0.00 O ATOM 531 CB ARG X 38 56.211 -4.411 13.734 1.00 0.00 C ATOM 532 CG ARG X 38 56.345 -5.225 15.022 1.00 0.00 C ATOM 533 CD ARG X 38 57.604 -4.791 15.774 1.00 0.00 C ATOM 534 NE ARG X 38 57.743 -5.563 17.005 1.00 0.00 N ATOM 535 CZ ARG X 38 58.235 -6.799 16.989 1.00 0.00 C ATOM 536 NH1 ARG X 38 58.599 -7.354 15.859 1.00 0.00 N ATOM 537 NH2 ARG X 38 58.352 -7.468 18.105 1.00 0.00 N ATOM 0 H ARG X 38 55.582 -3.418 11.579 1.00 0.00 H new ATOM 0 HA ARG X 38 55.110 -5.947 12.699 1.00 0.00 H new ATOM 0 HB2 ARG X 38 57.111 -4.518 13.129 1.00 0.00 H new ATOM 0 HB3 ARG X 38 56.109 -3.352 13.970 1.00 0.00 H new ATOM 0 HG2 ARG X 38 55.466 -5.079 15.650 1.00 0.00 H new ATOM 0 HG3 ARG X 38 56.397 -6.288 14.788 1.00 0.00 H new ATOM 0 HD2 ARG X 38 58.482 -4.935 15.144 1.00 0.00 H new ATOM 0 HD3 ARG X 38 57.550 -3.727 16.006 1.00 0.00 H new ATOM 0 HE ARG X 38 57.458 -5.148 17.892 1.00 0.00 H new ATOM 0 HH11 ARG X 38 58.506 -6.838 14.984 1.00 0.00 H new ATOM 0 HH12 ARG X 38 58.975 -8.302 15.854 1.00 0.00 H new ATOM 0 HH21 ARG X 38 58.066 -7.043 18.987 1.00 0.00 H new ATOM 0 HH22 ARG X 38 58.729 -8.416 18.094 1.00 0.00 H new ATOM 551 N ALA X 39 53.245 -3.493 13.883 1.00 0.00 N ATOM 552 CA ALA X 39 52.052 -3.209 14.671 1.00 0.00 C ATOM 553 C ALA X 39 50.800 -3.717 13.955 1.00 0.00 C ATOM 554 O ALA X 39 50.803 -3.899 12.738 1.00 0.00 O ATOM 555 CB ALA X 39 51.929 -1.703 14.917 1.00 0.00 C ATOM 0 H ALA X 39 53.651 -2.681 13.417 1.00 0.00 H new ATOM 0 HA ALA X 39 52.143 -3.724 15.627 1.00 0.00 H new ATOM 0 HB1 ALA X 39 51.034 -1.503 15.507 1.00 0.00 H new ATOM 0 HB2 ALA X 39 52.807 -1.350 15.458 1.00 0.00 H new ATOM 0 HB3 ALA X 39 51.858 -1.183 13.962 1.00 0.00 H new ATOM 561 N PRO X 40 49.741 -3.942 14.689 1.00 0.00 N ATOM 562 CA PRO X 40 48.457 -4.436 14.121 1.00 0.00 C ATOM 563 C PRO X 40 47.671 -3.329 13.421 1.00 0.00 C ATOM 564 O PRO X 40 46.538 -3.025 13.792 1.00 0.00 O ATOM 565 CB PRO X 40 47.704 -4.957 15.346 1.00 0.00 C ATOM 566 CG PRO X 40 48.233 -4.176 16.505 1.00 0.00 C ATOM 567 CD PRO X 40 49.657 -3.744 16.144 1.00 0.00 C ATOM 0 HA PRO X 40 48.610 -5.195 13.353 1.00 0.00 H new ATOM 0 HB2 PRO X 40 46.629 -4.814 15.235 1.00 0.00 H new ATOM 0 HB3 PRO X 40 47.871 -6.025 15.484 1.00 0.00 H new ATOM 0 HG2 PRO X 40 47.605 -3.307 16.703 1.00 0.00 H new ATOM 0 HG3 PRO X 40 48.232 -4.782 17.411 1.00 0.00 H new ATOM 0 HD2 PRO X 40 49.837 -2.704 16.415 1.00 0.00 H new ATOM 0 HD3 PRO X 40 50.400 -4.344 16.670 1.00 0.00 H new ATOM 575 N GLN X 41 48.281 -2.731 12.405 1.00 0.00 N ATOM 576 CA GLN X 41 47.632 -1.660 11.660 1.00 0.00 C ATOM 577 C GLN X 41 47.279 -2.126 10.249 1.00 0.00 C ATOM 578 O GLN X 41 47.197 -1.321 9.322 1.00 0.00 O ATOM 579 CB GLN X 41 48.550 -0.441 11.584 1.00 0.00 C ATOM 580 CG GLN X 41 48.882 0.037 12.999 1.00 0.00 C ATOM 581 CD GLN X 41 47.603 0.414 13.738 1.00 0.00 C ATOM 582 OE1 GLN X 41 46.857 1.282 13.286 1.00 0.00 O ATOM 583 NE2 GLN X 41 47.301 -0.194 14.855 1.00 0.00 N ATOM 0 H GLN X 41 49.218 -2.968 12.080 1.00 0.00 H new ATOM 0 HA GLN X 41 46.714 -1.387 12.181 1.00 0.00 H new ATOM 0 HB2 GLN X 41 49.466 -0.695 11.050 1.00 0.00 H new ATOM 0 HB3 GLN X 41 48.065 0.358 11.023 1.00 0.00 H new ATOM 0 HG2 GLN X 41 49.407 -0.748 13.543 1.00 0.00 H new ATOM 0 HG3 GLN X 41 49.552 0.896 12.953 1.00 0.00 H new ATOM 0 HE21 GLN X 41 47.921 -0.913 15.228 1.00 0.00 H new ATOM 0 HE22 GLN X 41 46.446 0.051 15.354 1.00 0.00 H new ATOM 592 N THR X 42 47.083 -3.432 10.094 1.00 0.00 N ATOM 593 CA THR X 42 46.748 -3.993 8.790 1.00 0.00 C ATOM 594 C THR X 42 45.456 -3.386 8.260 1.00 0.00 C ATOM 595 O THR X 42 45.378 -2.984 7.098 1.00 0.00 O ATOM 596 CB THR X 42 46.593 -5.512 8.900 1.00 0.00 C ATOM 597 OG1 THR X 42 47.825 -6.084 9.320 1.00 0.00 O ATOM 598 CG2 THR X 42 46.198 -6.085 7.540 1.00 0.00 C ATOM 0 H THR X 42 47.150 -4.116 10.848 1.00 0.00 H new ATOM 0 HA THR X 42 47.556 -3.759 8.097 1.00 0.00 H new ATOM 0 HB THR X 42 45.817 -5.747 9.629 1.00 0.00 H new ATOM 0 HG1 THR X 42 47.726 -7.056 9.392 1.00 0.00 H new ATOM 0 HG21 THR X 42 46.088 -7.167 7.619 1.00 0.00 H new ATOM 0 HG22 THR X 42 45.253 -5.646 7.221 1.00 0.00 H new ATOM 0 HG23 THR X 42 46.971 -5.852 6.808 1.00 0.00 H new ATOM 606 N GLY X 43 44.449 -3.311 9.118 1.00 0.00 N ATOM 607 CA GLY X 43 43.163 -2.739 8.729 1.00 0.00 C ATOM 608 C GLY X 43 42.221 -2.645 9.923 1.00 0.00 C ATOM 609 O GLY X 43 42.385 -3.359 10.911 1.00 0.00 O ATOM 0 H GLY X 43 44.494 -3.636 10.084 1.00 0.00 H new ATOM 0 HA2 GLY X 43 43.316 -1.747 8.304 1.00 0.00 H new ATOM 0 HA3 GLY X 43 42.709 -3.353 7.951 1.00 0.00 H new ATOM 613 N ILE X 44 41.223 -1.770 9.823 1.00 0.00 N ATOM 614 CA ILE X 44 40.257 -1.602 10.897 1.00 0.00 C ATOM 615 C ILE X 44 39.487 -2.895 11.132 1.00 0.00 C ATOM 616 O ILE X 44 39.313 -3.328 12.272 1.00 0.00 O ATOM 617 CB ILE X 44 39.280 -0.481 10.543 1.00 0.00 C ATOM 618 CG1 ILE X 44 40.014 0.860 10.558 1.00 0.00 C ATOM 619 CG2 ILE X 44 38.150 -0.452 11.568 1.00 0.00 C ATOM 620 CD1 ILE X 44 39.125 1.939 9.932 1.00 0.00 C ATOM 0 H ILE X 44 41.065 -1.171 9.013 1.00 0.00 H new ATOM 0 HA ILE X 44 40.794 -1.344 11.809 1.00 0.00 H new ATOM 0 HB ILE X 44 38.868 -0.658 9.550 1.00 0.00 H new ATOM 0 HG12 ILE X 44 40.270 1.134 11.581 1.00 0.00 H new ATOM 0 HG13 ILE X 44 40.950 0.780 10.005 1.00 0.00 H new ATOM 0 HG21 ILE X 44 37.452 0.347 11.318 1.00 0.00 H new ATOM 0 HG22 ILE X 44 37.626 -1.408 11.559 1.00 0.00 H new ATOM 0 HG23 ILE X 44 38.564 -0.274 12.561 1.00 0.00 H new ATOM 0 HD11 ILE X 44 39.650 2.894 9.943 1.00 0.00 H new ATOM 0 HD12 ILE X 44 38.891 1.666 8.903 1.00 0.00 H new ATOM 0 HD13 ILE X 44 38.201 2.026 10.503 1.00 0.00 H new ATOM 632 N VAL X 45 39.027 -3.509 10.047 1.00 0.00 N ATOM 633 CA VAL X 45 38.277 -4.755 10.146 1.00 0.00 C ATOM 634 C VAL X 45 39.127 -5.848 10.778 1.00 0.00 C ATOM 635 O VAL X 45 38.669 -6.561 11.662 1.00 0.00 O ATOM 636 CB VAL X 45 37.824 -5.205 8.754 1.00 0.00 C ATOM 637 CG1 VAL X 45 37.279 -6.635 8.831 1.00 0.00 C ATOM 638 CG2 VAL X 45 36.724 -4.266 8.249 1.00 0.00 C ATOM 0 H VAL X 45 39.159 -3.167 9.095 1.00 0.00 H new ATOM 0 HA VAL X 45 37.405 -4.579 10.776 1.00 0.00 H new ATOM 0 HB VAL X 45 38.671 -5.176 8.069 1.00 0.00 H new ATOM 0 HG11 VAL X 45 36.957 -6.955 7.840 1.00 0.00 H new ATOM 0 HG12 VAL X 45 38.061 -7.303 9.192 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.431 -6.665 9.516 1.00 0.00 H new ATOM 0 HG21 VAL X 45 36.400 -4.585 7.258 1.00 0.00 H new ATOM 0 HG22 VAL X 45 35.877 -4.296 8.935 1.00 0.00 H new ATOM 0 HG23 VAL X 45 37.111 -3.248 8.194 1.00 0.00 H new ATOM 648 N ASP X 46 40.360 -5.975 10.313 1.00 0.00 N ATOM 649 CA ASP X 46 41.265 -6.985 10.835 1.00 0.00 C ATOM 650 C ASP X 46 41.574 -6.718 12.302 1.00 0.00 C ATOM 651 O ASP X 46 41.740 -7.646 13.086 1.00 0.00 O ATOM 652 CB ASP X 46 42.566 -6.997 10.028 1.00 0.00 C ATOM 653 CG ASP X 46 42.308 -7.558 8.633 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.257 -8.146 8.437 1.00 0.00 O ATOM 655 OD2 ASP X 46 43.164 -7.388 7.779 1.00 0.00 O ATOM 0 H ASP X 46 40.756 -5.392 9.576 1.00 0.00 H new ATOM 0 HA ASP X 46 40.780 -7.957 10.748 1.00 0.00 H new ATOM 0 HB2 ASP X 46 42.967 -5.986 9.954 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.315 -7.601 10.539 1.00 0.00 H new ATOM 660 N GLU X 47 41.701 -5.442 12.659 1.00 0.00 N ATOM 661 CA GLU X 47 42.039 -5.092 14.033 1.00 0.00 C ATOM 662 C GLU X 47 40.990 -5.606 15.001 1.00 0.00 C ATOM 663 O GLU X 47 41.319 -6.291 15.962 1.00 0.00 O ATOM 664 CB GLU X 47 42.128 -3.563 14.154 1.00 0.00 C ATOM 665 CG GLU X 47 42.464 -3.179 15.594 1.00 0.00 C ATOM 666 CD GLU X 47 42.701 -1.675 15.694 1.00 0.00 C ATOM 667 OE1 GLU X 47 42.626 -1.013 14.675 1.00 0.00 O ATOM 668 OE2 GLU X 47 42.952 -1.209 16.795 1.00 0.00 O ATOM 0 H GLU X 47 41.578 -4.649 12.029 1.00 0.00 H new ATOM 0 HA GLU X 47 42.995 -5.552 14.283 1.00 0.00 H new ATOM 0 HB2 GLU X 47 42.891 -3.179 13.477 1.00 0.00 H new ATOM 0 HB3 GLU X 47 41.182 -3.109 13.858 1.00 0.00 H new ATOM 0 HG2 GLU X 47 41.649 -3.471 16.256 1.00 0.00 H new ATOM 0 HG3 GLU X 47 43.352 -3.718 15.924 1.00 0.00 H new ATOM 675 N CYS X 48 39.731 -5.278 14.742 1.00 0.00 N ATOM 676 CA CYS X 48 38.642 -5.725 15.599 1.00 0.00 C ATOM 677 C CYS X 48 38.375 -7.213 15.408 1.00 0.00 C ATOM 678 O CYS X 48 38.094 -7.934 16.365 1.00 0.00 O ATOM 679 CB CYS X 48 37.374 -4.929 15.289 1.00 0.00 C ATOM 680 SG CYS X 48 37.599 -3.208 15.826 1.00 0.00 S ATOM 0 H CYS X 48 39.440 -4.707 13.949 1.00 0.00 H new ATOM 0 HA CYS X 48 38.932 -5.557 16.636 1.00 0.00 H new ATOM 0 HB2 CYS X 48 37.161 -4.964 14.221 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.519 -5.372 15.799 1.00 0.00 H new ATOM 685 N CYS X 49 38.439 -7.659 14.159 1.00 0.00 N ATOM 686 CA CYS X 49 38.178 -9.054 13.839 1.00 0.00 C ATOM 687 C CYS X 49 39.157 -9.967 14.567 1.00 0.00 C ATOM 688 O CYS X 49 38.759 -10.973 15.152 1.00 0.00 O ATOM 689 CB CYS X 49 38.285 -9.280 12.328 1.00 0.00 C ATOM 690 SG CYS X 49 37.934 -11.017 11.937 1.00 0.00 S ATOM 0 H CYS X 49 38.669 -7.076 13.355 1.00 0.00 H new ATOM 0 HA CYS X 49 37.167 -9.295 14.167 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.583 -8.631 11.804 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.284 -9.015 11.982 1.00 0.00 H new ATOM 695 N PHE X 50 40.438 -9.610 14.520 1.00 0.00 N ATOM 696 CA PHE X 50 41.463 -10.408 15.176 1.00 0.00 C ATOM 697 C PHE X 50 41.637 -9.965 16.626 1.00 0.00 C ATOM 698 O PHE X 50 41.319 -10.702 17.555 1.00 0.00 O ATOM 699 CB PHE X 50 42.791 -10.265 14.426 1.00 0.00 C ATOM 700 CG PHE X 50 42.724 -11.053 13.141 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.100 -10.502 12.009 1.00 0.00 C ATOM 702 CD2 PHE X 50 43.287 -12.330 13.070 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.040 -11.227 10.813 1.00 0.00 C ATOM 704 CE2 PHE X 50 43.229 -13.059 11.874 1.00 0.00 C ATOM 705 CZ PHE X 50 42.605 -12.509 10.746 1.00 0.00 C ATOM 0 H PHE X 50 40.786 -8.781 14.039 1.00 0.00 H new ATOM 0 HA PHE X 50 41.153 -11.453 15.165 1.00 0.00 H new ATOM 0 HB2 PHE X 50 42.990 -9.215 14.212 1.00 0.00 H new ATOM 0 HB3 PHE X 50 43.612 -10.626 15.045 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.665 -9.515 12.062 1.00 0.00 H new ATOM 0 HD2 PHE X 50 43.768 -12.756 13.938 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.560 -10.800 9.945 1.00 0.00 H new ATOM 0 HE2 PHE X 50 43.666 -14.045 11.822 1.00 0.00 H new ATOM 0 HZ PHE X 50 42.559 -13.072 9.826 1.00 0.00 H new ATOM 715 N ARG X 51 42.142 -8.746 16.807 1.00 0.00 N ATOM 716 CA ARG X 51 42.350 -8.206 18.141 1.00 0.00 C ATOM 717 C ARG X 51 41.042 -7.649 18.700 1.00 0.00 C ATOM 718 O ARG X 51 40.184 -7.185 17.952 1.00 0.00 O ATOM 719 CB ARG X 51 43.403 -7.097 18.104 1.00 0.00 C ATOM 720 CG ARG X 51 43.658 -6.589 19.525 1.00 0.00 C ATOM 721 CD ARG X 51 44.802 -5.574 19.507 1.00 0.00 C ATOM 722 NE ARG X 51 45.043 -5.067 20.853 1.00 0.00 N ATOM 723 CZ ARG X 51 45.719 -5.783 21.748 1.00 0.00 C ATOM 724 NH1 ARG X 51 46.178 -6.970 21.436 1.00 0.00 N ATOM 725 NH2 ARG X 51 45.923 -5.303 22.946 1.00 0.00 N ATOM 0 H ARG X 51 42.412 -8.120 16.049 1.00 0.00 H new ATOM 0 HA ARG X 51 42.699 -9.012 18.787 1.00 0.00 H new ATOM 0 HB2 ARG X 51 44.329 -7.474 17.669 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.063 -6.279 17.469 1.00 0.00 H new ATOM 0 HG2 ARG X 51 42.755 -6.128 19.925 1.00 0.00 H new ATOM 0 HG3 ARG X 51 43.908 -7.423 20.181 1.00 0.00 H new ATOM 0 HD2 ARG X 51 45.707 -6.041 19.118 1.00 0.00 H new ATOM 0 HD3 ARG X 51 44.556 -4.749 18.838 1.00 0.00 H new ATOM 0 HE ARG X 51 44.687 -4.147 21.113 1.00 0.00 H new ATOM 0 HH11 ARG X 51 46.018 -7.350 20.503 1.00 0.00 H new ATOM 0 HH12 ARG X 51 46.696 -7.514 22.126 1.00 0.00 H new ATOM 0 HH21 ARG X 51 45.564 -4.381 23.194 1.00 0.00 H new ATOM 0 HH22 ARG X 51 46.441 -5.850 23.633 1.00 0.00 H new ATOM 739 N SER X 52 40.891 -7.704 20.015 1.00 0.00 N ATOM 740 CA SER X 52 39.680 -7.199 20.650 1.00 0.00 C ATOM 741 C SER X 52 39.757 -5.682 20.815 1.00 0.00 C ATOM 742 O SER X 52 40.218 -5.182 21.841 1.00 0.00 O ATOM 743 CB SER X 52 39.503 -7.851 22.022 1.00 0.00 C ATOM 744 OG SER X 52 38.407 -7.247 22.694 1.00 0.00 O ATOM 0 H SER X 52 41.583 -8.089 20.658 1.00 0.00 H new ATOM 0 HA SER X 52 38.828 -7.444 20.016 1.00 0.00 H new ATOM 0 HB2 SER X 52 39.329 -8.921 21.909 1.00 0.00 H new ATOM 0 HB3 SER X 52 40.413 -7.737 22.611 1.00 0.00 H new ATOM 0 HG SER X 52 38.292 -7.665 23.573 1.00 0.00 H new ATOM 750 N CYS X 53 39.299 -4.960 19.796 1.00 0.00 N ATOM 751 CA CYS X 53 39.320 -3.502 19.839 1.00 0.00 C ATOM 752 C CYS X 53 38.218 -2.979 20.756 1.00 0.00 C ATOM 753 O CYS X 53 37.122 -3.536 20.805 1.00 0.00 O ATOM 754 CB CYS X 53 39.133 -2.937 18.428 1.00 0.00 C ATOM 755 SG CYS X 53 37.459 -3.308 17.842 1.00 0.00 S ATOM 0 H CYS X 53 38.913 -5.356 18.939 1.00 0.00 H new ATOM 0 HA CYS X 53 40.284 -3.179 20.232 1.00 0.00 H new ATOM 0 HB2 CYS X 53 39.297 -1.859 18.432 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.870 -3.369 17.751 1.00 0.00 H new ATOM 760 N ASP X 54 38.516 -1.904 21.475 1.00 0.00 N ATOM 761 CA ASP X 54 37.545 -1.312 22.386 1.00 0.00 C ATOM 762 C ASP X 54 36.378 -0.702 21.614 1.00 0.00 C ATOM 763 O ASP X 54 36.538 -0.254 20.480 1.00 0.00 O ATOM 764 CB ASP X 54 38.215 -0.232 23.238 1.00 0.00 C ATOM 765 CG ASP X 54 39.134 -0.876 24.271 1.00 0.00 C ATOM 766 OD1 ASP X 54 39.041 -2.079 24.451 1.00 0.00 O ATOM 767 OD2 ASP X 54 39.916 -0.155 24.870 1.00 0.00 O ATOM 0 H ASP X 54 39.417 -1.427 21.445 1.00 0.00 H new ATOM 0 HA ASP X 54 37.162 -2.101 23.034 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.787 0.442 22.601 1.00 0.00 H new ATOM 0 HB3 ASP X 54 37.457 0.370 23.739 1.00 0.00 H new ATOM 772 N LEU X 55 35.207 -0.683 22.239 1.00 0.00 N ATOM 773 CA LEU X 55 34.023 -0.114 21.607 1.00 0.00 C ATOM 774 C LEU X 55 34.230 1.371 21.335 1.00 0.00 C ATOM 775 O LEU X 55 33.796 1.889 20.304 1.00 0.00 O ATOM 776 CB LEU X 55 32.801 -0.312 22.507 1.00 0.00 C ATOM 777 CG LEU X 55 32.427 -1.795 22.544 1.00 0.00 C ATOM 778 CD1 LEU X 55 31.370 -2.027 23.625 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.863 -2.213 21.182 1.00 0.00 C ATOM 0 H LEU X 55 35.052 -1.053 23.177 1.00 0.00 H new ATOM 0 HA LEU X 55 33.855 -0.625 20.659 1.00 0.00 H new ATOM 0 HB2 LEU X 55 33.017 0.044 23.514 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.962 0.276 22.134 1.00 0.00 H new ATOM 0 HG LEU X 55 33.314 -2.388 22.769 1.00 0.00 H new ATOM 0 HD11 LEU X 55 31.103 -3.083 23.652 1.00 0.00 H new ATOM 0 HD12 LEU X 55 31.769 -1.729 24.594 1.00 0.00 H new ATOM 0 HD13 LEU X 55 30.483 -1.434 23.400 1.00 0.00 H new ATOM 0 HD21 LEU X 55 31.596 -3.270 21.207 1.00 0.00 H new ATOM 0 HD22 LEU X 55 30.976 -1.620 20.958 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.615 -2.047 20.410 1.00 0.00 H new ATOM 791 N ARG X 56 34.892 2.051 22.264 1.00 0.00 N ATOM 792 CA ARG X 56 35.151 3.476 22.108 1.00 0.00 C ATOM 793 C ARG X 56 35.980 3.733 20.849 1.00 0.00 C ATOM 794 O ARG X 56 35.668 4.629 20.065 1.00 0.00 O ATOM 795 CB ARG X 56 35.900 4.011 23.332 1.00 0.00 C ATOM 796 CG ARG X 56 36.203 5.501 23.149 1.00 0.00 C ATOM 797 CD ARG X 56 34.896 6.282 23.058 1.00 0.00 C ATOM 798 NE ARG X 56 35.157 7.711 23.040 1.00 0.00 N ATOM 799 CZ ARG X 56 34.199 8.583 22.735 1.00 0.00 C ATOM 800 NH1 ARG X 56 32.994 8.164 22.441 1.00 0.00 N ATOM 801 NH2 ARG X 56 34.462 9.862 22.729 1.00 0.00 N ATOM 0 H ARG X 56 35.256 1.643 23.125 1.00 0.00 H new ATOM 0 HA ARG X 56 34.195 3.992 22.015 1.00 0.00 H new ATOM 0 HB2 ARG X 56 35.301 3.861 24.230 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.828 3.457 23.472 1.00 0.00 H new ATOM 0 HG2 ARG X 56 36.799 5.866 23.985 1.00 0.00 H new ATOM 0 HG3 ARG X 56 36.793 5.654 22.246 1.00 0.00 H new ATOM 0 HD2 ARG X 56 34.355 5.994 22.156 1.00 0.00 H new ATOM 0 HD3 ARG X 56 34.257 6.034 23.906 1.00 0.00 H new ATOM 0 HE ARG X 56 36.091 8.052 23.265 1.00 0.00 H new ATOM 0 HH11 ARG X 56 32.786 7.165 22.445 1.00 0.00 H new ATOM 0 HH12 ARG X 56 32.263 8.836 22.208 1.00 0.00 H new ATOM 0 HH21 ARG X 56 35.400 10.191 22.958 1.00 0.00 H new ATOM 0 HH22 ARG X 56 33.729 10.532 22.496 1.00 0.00 H new ATOM 815 N ARG X 57 37.035 2.936 20.654 1.00 0.00 N ATOM 816 CA ARG X 57 37.879 3.074 19.489 1.00 0.00 C ATOM 817 C ARG X 57 37.081 2.797 18.223 1.00 0.00 C ATOM 818 O ARG X 57 37.271 3.442 17.207 1.00 0.00 O ATOM 819 CB ARG X 57 39.058 2.105 19.586 1.00 0.00 C ATOM 820 CG ARG X 57 39.914 2.219 18.329 1.00 0.00 C ATOM 821 CD ARG X 57 41.092 1.256 18.427 1.00 0.00 C ATOM 822 NE ARG X 57 42.064 1.740 19.400 1.00 0.00 N ATOM 823 CZ ARG X 57 42.956 2.676 19.075 1.00 0.00 C ATOM 824 NH1 ARG X 57 42.975 3.184 17.867 1.00 0.00 N ATOM 825 NH2 ARG X 57 43.815 3.093 19.966 1.00 0.00 N ATOM 0 H ARG X 57 37.315 2.193 21.294 1.00 0.00 H new ATOM 0 HA ARG X 57 38.257 4.095 19.447 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.657 2.331 20.468 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.695 1.084 19.700 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.316 1.990 17.447 1.00 0.00 H new ATOM 0 HG3 ARG X 57 40.275 3.241 18.213 1.00 0.00 H new ATOM 0 HD2 ARG X 57 40.738 0.267 18.718 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.566 1.151 17.451 1.00 0.00 H new ATOM 0 HE ARG X 57 42.062 1.356 20.345 1.00 0.00 H new ATOM 0 HH11 ARG X 57 42.304 2.864 17.168 1.00 0.00 H new ATOM 0 HH12 ARG X 57 43.660 3.900 17.625 1.00 0.00 H new ATOM 0 HH21 ARG X 57 43.803 2.703 20.908 1.00 0.00 H new ATOM 0 HH22 ARG X 57 44.498 3.809 19.720 1.00 0.00 H new ATOM 839 N LEU X 58 36.196 1.814 18.289 1.00 0.00 N ATOM 840 CA LEU X 58 35.382 1.448 17.133 1.00 0.00 C ATOM 841 C LEU X 58 34.531 2.633 16.685 1.00 0.00 C ATOM 842 O LEU X 58 34.316 2.841 15.493 1.00 0.00 O ATOM 843 CB LEU X 58 34.470 0.274 17.486 1.00 0.00 C ATOM 844 CG LEU X 58 33.818 -0.270 16.212 1.00 0.00 C ATOM 845 CD1 LEU X 58 34.854 -1.051 15.401 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.661 -1.196 16.585 1.00 0.00 C ATOM 0 H LEU X 58 36.021 1.256 19.125 1.00 0.00 H new ATOM 0 HA LEU X 58 36.048 1.159 16.320 1.00 0.00 H new ATOM 0 HB2 LEU X 58 35.045 -0.512 17.977 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.703 0.595 18.191 1.00 0.00 H new ATOM 0 HG LEU X 58 33.440 0.561 15.616 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.390 -1.438 14.494 1.00 0.00 H new ATOM 0 HD12 LEU X 58 35.679 -0.391 15.133 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.233 -1.881 15.998 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.197 -1.583 15.677 1.00 0.00 H new ATOM 0 HD22 LEU X 58 33.038 -2.026 17.182 1.00 0.00 H new ATOM 0 HD23 LEU X 58 31.922 -0.640 17.162 1.00 0.00 H new ATOM 858 N ASP X 59 34.038 3.397 17.652 1.00 0.00 N ATOM 859 CA ASP X 59 33.200 4.553 17.350 1.00 0.00 C ATOM 860 C ASP X 59 33.966 5.567 16.504 1.00 0.00 C ATOM 861 O ASP X 59 33.375 6.413 15.850 1.00 0.00 O ATOM 862 CB ASP X 59 32.734 5.218 18.647 1.00 0.00 C ATOM 863 CG ASP X 59 31.582 6.176 18.360 1.00 0.00 C ATOM 864 OD1 ASP X 59 31.118 6.191 17.231 1.00 0.00 O ATOM 865 OD2 ASP X 59 31.180 6.879 19.272 1.00 0.00 O ATOM 0 H ASP X 59 34.202 3.239 18.646 1.00 0.00 H new ATOM 0 HA ASP X 59 32.332 4.208 16.787 1.00 0.00 H new ATOM 0 HB2 ASP X 59 32.416 4.458 19.361 1.00 0.00 H new ATOM 0 HB3 ASP X 59 33.562 5.759 19.105 1.00 0.00 H new ATOM 870 N MET X 60 35.286 5.487 16.535 1.00 0.00 N ATOM 871 CA MET X 60 36.116 6.417 15.780 1.00 0.00 C ATOM 872 C MET X 60 35.838 6.291 14.287 1.00 0.00 C ATOM 873 O MET X 60 35.970 7.260 13.539 1.00 0.00 O ATOM 874 CB MET X 60 37.594 6.126 16.046 1.00 0.00 C ATOM 875 CG MET X 60 37.926 6.460 17.503 1.00 0.00 C ATOM 876 SD MET X 60 39.615 5.926 17.875 1.00 0.00 S ATOM 877 CE MET X 60 40.468 7.128 16.828 1.00 0.00 C ATOM 0 H MET X 60 35.806 4.792 17.071 1.00 0.00 H new ATOM 0 HA MET X 60 35.877 7.431 16.100 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.811 5.077 15.844 1.00 0.00 H new ATOM 0 HB3 MET X 60 38.218 6.716 15.375 1.00 0.00 H new ATOM 0 HG2 MET X 60 37.826 7.532 17.673 1.00 0.00 H new ATOM 0 HG3 MET X 60 37.221 5.964 18.171 1.00 0.00 H new ATOM 0 HE1 MET X 60 41.475 7.294 17.211 1.00 0.00 H new ATOM 0 HE2 MET X 60 40.525 6.747 15.809 1.00 0.00 H new ATOM 0 HE3 MET X 60 39.918 8.069 16.833 1.00 0.00 H new ATOM 887 N TYR X 61 35.471 5.092 13.856 1.00 0.00 N ATOM 888 CA TYR X 61 35.190 4.851 12.447 1.00 0.00 C ATOM 889 C TYR X 61 33.798 5.365 12.079 1.00 0.00 C ATOM 890 O TYR X 61 33.368 5.241 10.929 1.00 0.00 O ATOM 891 CB TYR X 61 35.273 3.355 12.148 1.00 0.00 C ATOM 892 CG TYR X 61 36.521 2.785 12.783 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.423 1.714 13.673 1.00 0.00 C ATOM 894 CD2 TYR X 61 37.773 3.335 12.481 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.578 1.188 14.264 1.00 0.00 C ATOM 896 CE2 TYR X 61 38.927 2.810 13.072 1.00 0.00 C ATOM 897 CZ TYR X 61 38.830 1.736 13.963 1.00 0.00 C ATOM 898 OH TYR X 61 39.966 1.216 14.547 1.00 0.00 O ATOM 0 H TYR X 61 35.361 4.275 14.457 1.00 0.00 H new ATOM 0 HA TYR X 61 35.932 5.385 11.853 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.390 2.846 12.534 1.00 0.00 H new ATOM 0 HB3 TYR X 61 35.291 3.189 11.071 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.457 1.291 13.906 1.00 0.00 H new ATOM 0 HD2 TYR X 61 37.847 4.164 11.792 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.503 0.359 14.952 1.00 0.00 H new ATOM 0 HE2 TYR X 61 39.893 3.234 12.840 1.00 0.00 H new ATOM 0 HH TYR X 61 40.752 1.709 14.231 1.00 0.00 H new ATOM 908 N CYS X 62 33.103 5.952 13.050 1.00 0.00 N ATOM 909 CA CYS X 62 31.770 6.489 12.808 1.00 0.00 C ATOM 910 C CYS X 62 31.858 7.892 12.212 1.00 0.00 C ATOM 911 O CYS X 62 32.833 8.610 12.435 1.00 0.00 O ATOM 912 CB CYS X 62 30.985 6.542 14.118 1.00 0.00 C ATOM 913 SG CYS X 62 30.694 4.858 14.716 1.00 0.00 S ATOM 0 H CYS X 62 33.440 6.067 14.006 1.00 0.00 H new ATOM 0 HA CYS X 62 31.258 5.836 12.101 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.539 7.113 14.863 1.00 0.00 H new ATOM 0 HB3 CYS X 62 30.035 7.054 13.965 1.00 0.00 H new ATOM 918 N ALA X 63 30.837 8.275 11.452 1.00 0.00 N ATOM 919 CA ALA X 63 30.805 9.586 10.829 1.00 0.00 C ATOM 920 C ALA X 63 30.568 10.671 11.879 1.00 0.00 C ATOM 921 O ALA X 63 30.041 10.399 12.958 1.00 0.00 O ATOM 922 CB ALA X 63 29.698 9.639 9.775 1.00 0.00 C ATOM 0 H ALA X 63 30.023 7.693 11.255 1.00 0.00 H new ATOM 0 HA ALA X 63 31.767 9.764 10.349 1.00 0.00 H new ATOM 0 HB1 ALA X 63 29.682 10.626 9.313 1.00 0.00 H new ATOM 0 HB2 ALA X 63 29.886 8.884 9.011 1.00 0.00 H new ATOM 0 HB3 ALA X 63 28.736 9.444 10.248 1.00 0.00 H new ATOM 928 N PRO X 64 30.953 11.882 11.580 1.00 0.00 N ATOM 929 CA PRO X 64 30.795 13.034 12.512 1.00 0.00 C ATOM 930 C PRO X 64 29.347 13.501 12.615 1.00 0.00 C ATOM 931 O PRO X 64 28.545 13.270 11.710 1.00 0.00 O ATOM 932 CB PRO X 64 31.685 14.117 11.899 1.00 0.00 C ATOM 933 CG PRO X 64 31.736 13.804 10.439 1.00 0.00 C ATOM 934 CD PRO X 64 31.574 12.285 10.311 1.00 0.00 C ATOM 0 HA PRO X 64 31.074 12.777 13.534 1.00 0.00 H new ATOM 0 HB2 PRO X 64 31.273 15.111 12.074 1.00 0.00 H new ATOM 0 HB3 PRO X 64 32.682 14.103 12.340 1.00 0.00 H new ATOM 0 HG2 PRO X 64 30.942 14.325 9.903 1.00 0.00 H new ATOM 0 HG3 PRO X 64 32.681 14.131 10.005 1.00 0.00 H new ATOM 0 HD2 PRO X 64 30.947 12.021 9.459 1.00 0.00 H new ATOM 0 HD3 PRO X 64 32.535 11.793 10.164 1.00 0.00 H new ATOM 942 N LEU X 65 29.023 14.161 13.720 1.00 0.00 N ATOM 943 CA LEU X 65 27.668 14.659 13.928 1.00 0.00 C ATOM 944 C LEU X 65 27.359 15.794 12.958 1.00 0.00 C ATOM 945 O LEU X 65 28.231 16.601 12.633 1.00 0.00 O ATOM 946 CB LEU X 65 27.512 15.161 15.365 1.00 0.00 C ATOM 947 CG LEU X 65 27.650 13.986 16.336 1.00 0.00 C ATOM 948 CD1 LEU X 65 27.693 14.512 17.772 1.00 0.00 C ATOM 949 CD2 LEU X 65 26.450 13.046 16.175 1.00 0.00 C ATOM 0 H LEU X 65 29.673 14.363 14.480 1.00 0.00 H new ATOM 0 HA LEU X 65 26.970 13.841 13.749 1.00 0.00 H new ATOM 0 HB2 LEU X 65 28.268 15.916 15.582 1.00 0.00 H new ATOM 0 HB3 LEU X 65 26.540 15.638 15.491 1.00 0.00 H new ATOM 0 HG LEU X 65 28.570 13.443 16.119 1.00 0.00 H new ATOM 0 HD11 LEU X 65 27.791 13.675 18.463 1.00 0.00 H new ATOM 0 HD12 LEU X 65 28.545 15.181 17.889 1.00 0.00 H new ATOM 0 HD13 LEU X 65 26.773 15.055 17.988 1.00 0.00 H new ATOM 0 HD21 LEU X 65 26.548 12.209 16.866 1.00 0.00 H new ATOM 0 HD22 LEU X 65 25.530 13.590 16.391 1.00 0.00 H new ATOM 0 HD23 LEU X 65 26.417 12.670 15.152 1.00 0.00 H new ATOM 961 N LYS X 66 26.115 15.847 12.496 1.00 0.00 N ATOM 962 CA LYS X 66 25.703 16.884 11.559 1.00 0.00 C ATOM 963 C LYS X 66 26.688 16.983 10.397 1.00 0.00 C ATOM 964 O LYS X 66 27.346 18.007 10.212 1.00 0.00 O ATOM 965 CB LYS X 66 25.623 18.233 12.273 1.00 0.00 C ATOM 966 CG LYS X 66 24.944 19.259 11.365 1.00 0.00 C ATOM 967 CD LYS X 66 23.445 18.958 11.275 1.00 0.00 C ATOM 968 CE LYS X 66 22.748 20.063 10.485 1.00 0.00 C ATOM 969 NZ LYS X 66 21.286 19.780 10.421 1.00 0.00 N ATOM 0 H LYS X 66 25.379 15.189 12.753 1.00 0.00 H new ATOM 0 HA LYS X 66 24.721 16.620 11.167 1.00 0.00 H new ATOM 0 HB2 LYS X 66 25.064 18.130 13.203 1.00 0.00 H new ATOM 0 HB3 LYS X 66 26.624 18.574 12.539 1.00 0.00 H new ATOM 0 HG2 LYS X 66 25.100 20.264 11.756 1.00 0.00 H new ATOM 0 HG3 LYS X 66 25.391 19.231 10.371 1.00 0.00 H new ATOM 0 HD2 LYS X 66 23.286 17.995 10.791 1.00 0.00 H new ATOM 0 HD3 LYS X 66 23.017 18.887 12.275 1.00 0.00 H new ATOM 0 HE2 LYS X 66 22.922 21.029 10.959 1.00 0.00 H new ATOM 0 HE3 LYS X 66 23.162 20.122 9.479 1.00 0.00 H new ATOM 0 HZ1 LYS X 66 20.810 20.532 9.883 1.00 0.00 H new ATOM 0 HZ2 LYS X 66 21.130 18.866 9.951 1.00 0.00 H new ATOM 0 HZ3 LYS X 66 20.897 19.744 11.385 1.00 0.00 H new ATOM 983 N PRO X 67 26.796 15.939 9.620 1.00 0.00 N ATOM 984 CA PRO X 67 27.716 15.894 8.448 1.00 0.00 C ATOM 985 C PRO X 67 27.209 16.743 7.285 1.00 0.00 C ATOM 986 O PRO X 67 26.037 17.115 7.238 1.00 0.00 O ATOM 987 CB PRO X 67 27.753 14.412 8.075 1.00 0.00 C ATOM 988 CG PRO X 67 26.460 13.850 8.558 1.00 0.00 C ATOM 989 CD PRO X 67 26.045 14.682 9.776 1.00 0.00 C ATOM 0 HA PRO X 67 28.700 16.301 8.682 1.00 0.00 H new ATOM 0 HB2 PRO X 67 27.861 14.280 6.998 1.00 0.00 H new ATOM 0 HB3 PRO X 67 28.599 13.910 8.544 1.00 0.00 H new ATOM 0 HG2 PRO X 67 25.701 13.901 7.778 1.00 0.00 H new ATOM 0 HG3 PRO X 67 26.571 12.799 8.827 1.00 0.00 H new ATOM 0 HD2 PRO X 67 24.970 14.859 9.791 1.00 0.00 H new ATOM 0 HD3 PRO X 67 26.299 14.178 10.709 1.00 0.00 H new ATOM 997 N ALA X 68 28.103 17.049 6.352 1.00 0.00 N ATOM 998 CA ALA X 68 27.739 17.853 5.193 1.00 0.00 C ATOM 999 C ALA X 68 26.652 17.158 4.380 1.00 0.00 C ATOM 1000 O ALA X 68 25.764 17.807 3.826 1.00 0.00 O ATOM 1001 CB ALA X 68 28.967 18.096 4.314 1.00 0.00 C ATOM 0 H ALA X 68 29.079 16.754 6.375 1.00 0.00 H new ATOM 0 HA ALA X 68 27.356 18.811 5.545 1.00 0.00 H new ATOM 0 HB1 ALA X 68 28.683 18.698 3.451 1.00 0.00 H new ATOM 0 HB2 ALA X 68 29.728 18.623 4.890 1.00 0.00 H new ATOM 0 HB3 ALA X 68 29.366 17.140 3.974 1.00 0.00 H new ATOM 1007 N LYS X 69 26.739 15.833 4.297 1.00 0.00 N ATOM 1008 CA LYS X 69 25.764 15.062 3.533 1.00 0.00 C ATOM 1009 C LYS X 69 24.363 15.250 4.105 1.00 0.00 C ATOM 1010 O LYS X 69 23.394 15.400 3.361 1.00 0.00 O ATOM 1011 CB LYS X 69 26.133 13.577 3.570 1.00 0.00 C ATOM 1012 CG LYS X 69 27.403 13.345 2.749 1.00 0.00 C ATOM 1013 CD LYS X 69 27.773 11.860 2.790 1.00 0.00 C ATOM 1014 CE LYS X 69 29.058 11.631 1.989 1.00 0.00 C ATOM 1015 NZ LYS X 69 28.815 11.964 0.557 1.00 0.00 N ATOM 0 H LYS X 69 27.467 15.276 4.745 1.00 0.00 H new ATOM 0 HA LYS X 69 25.775 15.418 2.503 1.00 0.00 H new ATOM 0 HB2 LYS X 69 26.290 13.256 4.600 1.00 0.00 H new ATOM 0 HB3 LYS X 69 25.315 12.978 3.170 1.00 0.00 H new ATOM 0 HG2 LYS X 69 27.246 13.663 1.718 1.00 0.00 H new ATOM 0 HG3 LYS X 69 28.221 13.946 3.147 1.00 0.00 H new ATOM 0 HD2 LYS X 69 27.913 11.538 3.822 1.00 0.00 H new ATOM 0 HD3 LYS X 69 26.962 11.261 2.376 1.00 0.00 H new ATOM 0 HE2 LYS X 69 29.862 12.250 2.386 1.00 0.00 H new ATOM 0 HE3 LYS X 69 29.378 10.593 2.083 1.00 0.00 H new ATOM 0 HZ1 LYS X 69 29.538 11.506 -0.034 1.00 0.00 H new ATOM 0 HZ2 LYS X 69 27.873 11.624 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS X 69 28.864 12.995 0.427 1.00 0.00 H new ATOM 1029 N SER X 70 24.264 15.249 5.431 1.00 0.00 N ATOM 1030 CA SER X 70 22.976 15.429 6.090 1.00 0.00 C ATOM 1031 C SER X 70 22.414 16.819 5.806 1.00 0.00 C ATOM 1032 O SER X 70 21.214 16.981 5.584 1.00 0.00 O ATOM 1033 CB SER X 70 23.128 15.236 7.597 1.00 0.00 C ATOM 1034 OG SER X 70 23.463 13.882 7.865 1.00 0.00 O ATOM 0 H SER X 70 25.053 15.127 6.065 1.00 0.00 H new ATOM 0 HA SER X 70 22.284 14.684 5.697 1.00 0.00 H new ATOM 0 HB2 SER X 70 23.903 15.898 7.984 1.00 0.00 H new ATOM 0 HB3 SER X 70 22.200 15.501 8.105 1.00 0.00 H new ATOM 0 HG SER X 70 23.407 13.716 8.829 1.00 0.00 H new ATOM 1040 N ALA X 71 23.290 17.818 5.820 1.00 0.00 N ATOM 1041 CA ALA X 71 22.871 19.192 5.566 1.00 0.00 C ATOM 1042 C ALA X 71 22.979 19.521 4.081 1.00 0.00 C ATOM 1043 CB ALA X 71 23.740 20.161 6.371 1.00 0.00 C ATOM 0 H ALA X 71 24.287 17.704 6.003 1.00 0.00 H new ATOM 0 HA ALA X 71 21.831 19.296 5.874 1.00 0.00 H new ATOM 0 HB1 ALA X 71 23.420 21.185 6.175 1.00 0.00 H new ATOM 0 HB2 ALA X 71 23.636 19.945 7.434 1.00 0.00 H new ATOM 0 HB3 ALA X 71 24.783 20.044 6.077 1.00 0.00 H new TER 1049 ALA X 71