USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 0 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 58 THR OG1 : rot 180:sc= -0.0782 USER MOD Set 1.2: A 61 SER OG : rot -39:sc= -0.185! USER MOD Single : A 1 GLY N :NH3+ -167:sc= 1.22 (180deg=1.06) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.298 K(o=0.3,f=-11!) USER MOD Single : A 18 THR OG1 : rot -37:sc= 0.844 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.28) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= 1.12 (180deg=0.874) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -157:sc= 0.896 (180deg=0.183) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -2.6 K(o=-2.6,f=-0.97) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.451 -8.811 4.508 1.00 0.00 N ATOM 2 CA GLY A 1 6.258 -7.985 4.590 1.00 0.00 C ATOM 3 C GLY A 1 6.180 -7.018 3.406 1.00 0.00 C ATOM 4 O GLY A 1 6.547 -5.850 3.529 1.00 0.00 O ATOM 0 H1 GLY A 1 7.376 -9.597 5.184 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.545 -9.191 3.544 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.287 -8.237 4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.372 -8.620 4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.264 -7.423 5.524 1.00 0.00 H new ATOM 5 N GLU A 2 5.699 -7.539 2.288 1.00 0.00 N ATOM 6 CA GLU A 2 5.548 -6.732 1.089 1.00 0.00 C ATOM 7 C GLU A 2 4.460 -7.317 0.188 1.00 0.00 C ATOM 8 O GLU A 2 4.119 -8.493 0.303 1.00 0.00 O ATOM 9 CB GLU A 2 6.877 -6.613 0.339 1.00 0.00 C ATOM 10 CG GLU A 2 7.433 -7.995 -0.011 1.00 0.00 C ATOM 11 CD GLU A 2 8.173 -8.606 1.182 1.00 0.00 C ATOM 12 OE1 GLU A 2 9.325 -8.083 1.435 1.00 0.00 O ATOM 13 OE2 GLU A 2 7.657 -9.534 1.821 1.00 0.00 O ATOM 0 H GLU A 2 5.408 -8.511 2.186 1.00 0.00 H new ATOM 0 HA GLU A 2 5.244 -5.728 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.734 -6.033 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.598 -6.071 0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.618 -8.653 -0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.110 -7.914 -0.861 1.00 0.00 H new ATOM 14 N GLU A 3 3.944 -6.469 -0.690 1.00 0.00 N ATOM 15 CA GLU A 3 2.876 -6.877 -1.587 1.00 0.00 C ATOM 16 C GLU A 3 3.450 -7.646 -2.780 1.00 0.00 C ATOM 17 O GLU A 3 4.534 -7.326 -3.264 1.00 0.00 O ATOM 18 CB GLU A 3 2.060 -5.670 -2.053 1.00 0.00 C ATOM 19 CG GLU A 3 1.315 -5.027 -0.882 1.00 0.00 C ATOM 20 CD GLU A 3 0.360 -3.936 -1.371 1.00 0.00 C ATOM 21 OE1 GLU A 3 0.932 -2.924 -1.932 1.00 0.00 O ATOM 22 OE2 GLU A 3 -0.862 -4.065 -1.214 1.00 0.00 O ATOM 0 H GLU A 3 4.246 -5.501 -0.799 1.00 0.00 H new ATOM 0 HA GLU A 3 2.203 -7.539 -1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.721 -4.936 -2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.346 -5.982 -2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.755 -5.789 -0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.032 -4.600 -0.181 1.00 0.00 H new ATOM 23 N CYS A 4 2.696 -8.643 -3.219 1.00 0.00 N ATOM 24 CA CYS A 4 3.103 -9.442 -4.362 1.00 0.00 C ATOM 25 C CYS A 4 1.859 -9.756 -5.195 1.00 0.00 C ATOM 26 O CYS A 4 0.888 -10.311 -4.683 1.00 0.00 O ATOM 27 CB CYS A 4 3.837 -10.712 -3.931 1.00 0.00 C ATOM 28 SG CYS A 4 5.148 -10.454 -2.680 1.00 0.00 S ATOM 0 H CYS A 4 1.805 -8.916 -2.804 1.00 0.00 H new ATOM 0 HA CYS A 4 3.813 -8.880 -4.969 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.109 -11.418 -3.533 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.281 -11.175 -4.812 1.00 0.00 H new ATOM 29 N ASP A 5 1.929 -9.389 -6.466 1.00 0.00 N ATOM 30 CA ASP A 5 0.892 -9.765 -7.412 1.00 0.00 C ATOM 31 C ASP A 5 1.409 -10.890 -8.310 1.00 0.00 C ATOM 32 O ASP A 5 0.683 -11.389 -9.167 1.00 0.00 O ATOM 33 CB ASP A 5 0.508 -8.584 -8.307 1.00 0.00 C ATOM 34 CG ASP A 5 -0.208 -7.437 -7.592 1.00 0.00 C ATOM 35 OD1 ASP A 5 0.545 -6.709 -6.839 1.00 0.00 O ATOM 36 OD2 ASP A 5 -1.424 -7.248 -7.747 1.00 0.00 O ATOM 0 H ASP A 5 2.688 -8.835 -6.863 1.00 0.00 H new ATOM 0 HA ASP A 5 0.019 -10.086 -6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.412 -8.193 -8.774 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.133 -8.949 -9.109 1.00 0.00 H new ATOM 37 N CYS A 6 2.663 -11.256 -8.082 1.00 0.00 N ATOM 38 CA CYS A 6 3.319 -12.241 -8.924 1.00 0.00 C ATOM 39 C CYS A 6 3.816 -13.382 -8.032 1.00 0.00 C ATOM 40 O CYS A 6 3.840 -13.251 -6.809 1.00 0.00 O ATOM 41 CB CYS A 6 4.454 -11.621 -9.742 1.00 0.00 C ATOM 42 SG CYS A 6 6.084 -11.614 -8.911 1.00 0.00 S ATOM 0 H CYS A 6 3.241 -10.888 -7.326 1.00 0.00 H new ATOM 0 HA CYS A 6 2.607 -12.633 -9.651 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.544 -12.164 -10.683 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.185 -10.595 -9.991 1.00 0.00 H new ATOM 43 N GLY A 7 4.199 -14.472 -8.680 1.00 0.00 N ATOM 44 CA GLY A 7 4.775 -15.600 -7.968 1.00 0.00 C ATOM 45 C GLY A 7 5.935 -16.211 -8.756 1.00 0.00 C ATOM 46 O GLY A 7 6.245 -17.391 -8.599 1.00 0.00 O ATOM 0 H GLY A 7 4.122 -14.598 -9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.127 -15.275 -6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.009 -16.356 -7.797 1.00 0.00 H new ATOM 47 N SER A 8 6.545 -15.379 -9.588 1.00 0.00 N ATOM 48 CA SER A 8 7.655 -15.826 -10.413 1.00 0.00 C ATOM 49 C SER A 8 8.611 -14.662 -10.680 1.00 0.00 C ATOM 50 O SER A 8 8.175 -13.548 -10.963 1.00 0.00 O ATOM 51 CB SER A 8 7.156 -16.417 -11.734 1.00 0.00 C ATOM 52 OG SER A 8 6.449 -17.639 -11.539 1.00 0.00 O ATOM 0 H SER A 8 6.292 -14.398 -9.708 1.00 0.00 H new ATOM 0 HA SER A 8 8.188 -16.609 -9.874 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.505 -15.697 -12.230 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.004 -16.590 -12.397 1.00 0.00 H new ATOM 0 HG SER A 8 6.146 -17.983 -12.405 1.00 0.00 H new ATOM 53 N PRO A 9 9.932 -14.968 -10.576 1.00 0.00 N ATOM 54 CA PRO A 9 10.955 -13.982 -10.881 1.00 0.00 C ATOM 55 C PRO A 9 11.086 -13.776 -12.392 1.00 0.00 C ATOM 56 O PRO A 9 11.214 -12.646 -12.858 1.00 0.00 O ATOM 57 CB PRO A 9 12.224 -14.522 -10.244 1.00 0.00 C ATOM 58 CG PRO A 9 11.976 -16.003 -10.009 1.00 0.00 C ATOM 59 CD PRO A 9 10.485 -16.257 -10.169 1.00 0.00 C ATOM 0 HA PRO A 9 10.717 -12.994 -10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.084 -14.369 -10.896 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.439 -14.009 -9.307 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.544 -16.603 -10.720 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.308 -16.292 -9.012 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.292 -17.025 -10.918 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.040 -16.602 -9.236 1.00 0.00 H new ATOM 60 N SER A 10 11.047 -14.886 -13.114 1.00 0.00 N ATOM 61 CA SER A 10 11.245 -14.850 -14.552 1.00 0.00 C ATOM 62 C SER A 10 10.242 -13.887 -15.195 1.00 0.00 C ATOM 63 O SER A 10 10.524 -13.296 -16.236 1.00 0.00 O ATOM 64 CB SER A 10 11.105 -16.246 -15.163 1.00 0.00 C ATOM 65 OG SER A 10 9.847 -16.839 -14.855 1.00 0.00 O ATOM 0 H SER A 10 10.881 -15.816 -12.729 1.00 0.00 H new ATOM 0 HA SER A 10 12.257 -14.496 -14.748 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.220 -16.182 -16.245 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.907 -16.885 -14.794 1.00 0.00 H new ATOM 0 HG SER A 10 9.796 -17.728 -15.264 1.00 0.00 H new ATOM 66 N ASN A 11 9.095 -13.759 -14.545 1.00 0.00 N ATOM 67 CA ASN A 11 8.067 -12.846 -15.015 1.00 0.00 C ATOM 68 C ASN A 11 8.673 -11.454 -15.198 1.00 0.00 C ATOM 69 O ASN A 11 9.087 -10.820 -14.228 1.00 0.00 O ATOM 70 CB ASN A 11 6.924 -12.735 -14.004 1.00 0.00 C ATOM 71 CG ASN A 11 5.731 -11.991 -14.605 1.00 0.00 C ATOM 72 OD1 ASN A 11 5.797 -11.427 -15.686 1.00 0.00 O ATOM 73 ND2 ASN A 11 4.638 -12.019 -13.847 1.00 0.00 N ATOM 0 H ASN A 11 8.855 -14.272 -13.697 1.00 0.00 H new ATOM 0 HA ASN A 11 7.678 -13.232 -15.957 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.614 -13.731 -13.689 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.272 -12.212 -13.113 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.788 -11.550 -14.160 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.650 -12.509 -12.953 1.00 0.00 H new ATOM 74 N PRO A 12 8.708 -11.005 -16.482 1.00 0.00 N ATOM 75 CA PRO A 12 9.303 -9.722 -16.810 1.00 0.00 C ATOM 76 C PRO A 12 8.385 -8.570 -16.397 1.00 0.00 C ATOM 77 O PRO A 12 8.789 -7.409 -16.424 1.00 0.00 O ATOM 78 CB PRO A 12 9.551 -9.775 -18.310 1.00 0.00 C ATOM 79 CG PRO A 12 8.666 -10.892 -18.838 1.00 0.00 C ATOM 80 CD PRO A 12 8.184 -11.707 -17.650 1.00 0.00 C ATOM 0 HA PRO A 12 10.233 -9.540 -16.272 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.303 -8.824 -18.781 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.601 -9.973 -18.526 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.819 -10.481 -19.387 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.221 -11.522 -19.533 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.096 -11.763 -17.623 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.555 -12.731 -17.696 1.00 0.00 H new ATOM 81 N CYS A 13 7.166 -8.931 -16.025 1.00 0.00 N ATOM 82 CA CYS A 13 6.224 -7.958 -15.498 1.00 0.00 C ATOM 83 C CYS A 13 6.583 -7.685 -14.037 1.00 0.00 C ATOM 84 O CYS A 13 6.373 -6.580 -13.537 1.00 0.00 O ATOM 85 CB CYS A 13 4.778 -8.430 -15.652 1.00 0.00 C ATOM 86 SG CYS A 13 4.303 -8.909 -17.354 1.00 0.00 S ATOM 0 H CYS A 13 6.808 -9.885 -16.078 1.00 0.00 H new ATOM 0 HA CYS A 13 6.297 -7.032 -16.068 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.617 -9.282 -14.992 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.113 -7.635 -15.315 1.00 0.00 H new ATOM 87 N CYS A 14 7.120 -8.710 -13.390 1.00 0.00 N ATOM 88 CA CYS A 14 7.408 -8.631 -11.968 1.00 0.00 C ATOM 89 C CYS A 14 8.859 -8.178 -11.797 1.00 0.00 C ATOM 90 O CYS A 14 9.644 -8.228 -12.742 1.00 0.00 O ATOM 91 CB CYS A 14 7.138 -9.961 -11.261 1.00 0.00 C ATOM 92 SG CYS A 14 6.936 -9.838 -9.447 1.00 0.00 S ATOM 0 H CYS A 14 7.363 -9.600 -13.825 1.00 0.00 H new ATOM 0 HA CYS A 14 6.744 -7.905 -11.499 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.237 -10.405 -11.684 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.960 -10.644 -11.476 1.00 0.00 H new ATOM 93 N ASP A 15 9.172 -7.747 -10.584 1.00 0.00 N ATOM 94 CA ASP A 15 10.541 -7.401 -10.242 1.00 0.00 C ATOM 95 C ASP A 15 10.909 -8.052 -8.907 1.00 0.00 C ATOM 96 O ASP A 15 10.031 -8.410 -8.125 1.00 0.00 O ATOM 97 CB ASP A 15 10.705 -5.888 -10.092 1.00 0.00 C ATOM 98 CG ASP A 15 10.067 -5.289 -8.836 1.00 0.00 C ATOM 99 OD1 ASP A 15 9.056 -5.943 -8.375 1.00 0.00 O ATOM 100 OD2 ASP A 15 10.514 -4.251 -8.326 1.00 0.00 O ATOM 0 H ASP A 15 8.500 -7.629 -9.825 1.00 0.00 H new ATOM 0 HA ASP A 15 11.189 -7.756 -11.043 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.769 -5.652 -10.089 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.273 -5.402 -10.967 1.00 0.00 H new ATOM 101 N ALA A 16 12.209 -8.185 -8.689 1.00 0.00 N ATOM 102 CA ALA A 16 12.703 -8.889 -7.518 1.00 0.00 C ATOM 103 C ALA A 16 13.257 -7.877 -6.513 1.00 0.00 C ATOM 104 O ALA A 16 14.255 -8.143 -5.845 1.00 0.00 O ATOM 105 CB ALA A 16 13.750 -9.919 -7.947 1.00 0.00 C ATOM 0 H ALA A 16 12.935 -7.817 -9.304 1.00 0.00 H new ATOM 0 HA ALA A 16 11.895 -9.430 -7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.121 -10.448 -7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.298 -10.632 -8.636 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.578 -9.412 -8.442 1.00 0.00 H new ATOM 106 N ALA A 17 12.586 -6.737 -6.440 1.00 0.00 N ATOM 107 CA ALA A 17 12.997 -5.685 -5.526 1.00 0.00 C ATOM 108 C ALA A 17 12.089 -5.701 -4.295 1.00 0.00 C ATOM 109 O ALA A 17 12.563 -5.855 -3.170 1.00 0.00 O ATOM 110 CB ALA A 17 12.970 -4.338 -6.252 1.00 0.00 C ATOM 0 H ALA A 17 11.761 -6.519 -6.999 1.00 0.00 H new ATOM 0 HA ALA A 17 14.019 -5.851 -5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.278 -3.549 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.653 -4.368 -7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.959 -4.136 -6.607 1.00 0.00 H new ATOM 111 N THR A 18 10.799 -5.541 -4.549 1.00 0.00 N ATOM 112 CA THR A 18 9.823 -5.497 -3.472 1.00 0.00 C ATOM 113 C THR A 18 8.691 -6.491 -3.737 1.00 0.00 C ATOM 114 O THR A 18 7.650 -6.441 -3.084 1.00 0.00 O ATOM 115 CB THR A 18 9.341 -4.052 -3.330 1.00 0.00 C ATOM 116 OG1 THR A 18 8.549 -4.066 -2.146 1.00 0.00 O ATOM 117 CG2 THR A 18 8.359 -3.650 -4.432 1.00 0.00 C ATOM 0 H THR A 18 10.406 -5.440 -5.485 1.00 0.00 H new ATOM 0 HA THR A 18 10.266 -5.802 -2.524 1.00 0.00 H new ATOM 0 HB THR A 18 10.199 -3.380 -3.347 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.057 -4.912 -2.091 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.049 -2.616 -4.283 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.843 -3.748 -5.404 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.485 -4.300 -4.395 1.00 0.00 H new ATOM 118 N CYS A 19 8.933 -7.373 -4.697 1.00 0.00 N ATOM 119 CA CYS A 19 8.049 -8.505 -4.914 1.00 0.00 C ATOM 120 C CYS A 19 6.792 -8.004 -5.627 1.00 0.00 C ATOM 121 O CYS A 19 5.899 -8.788 -5.944 1.00 0.00 O ATOM 122 CB CYS A 19 7.714 -9.220 -3.603 1.00 0.00 C ATOM 123 SG CYS A 19 6.857 -10.825 -3.802 1.00 0.00 S ATOM 0 H CYS A 19 9.729 -7.326 -5.333 1.00 0.00 H new ATOM 0 HA CYS A 19 8.549 -9.245 -5.539 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.638 -9.384 -3.048 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.090 -8.564 -2.996 1.00 0.00 H new ATOM 124 N LYS A 20 6.761 -6.699 -5.858 1.00 0.00 N ATOM 125 CA LYS A 20 5.581 -6.066 -6.420 1.00 0.00 C ATOM 126 C LYS A 20 5.898 -5.565 -7.830 1.00 0.00 C ATOM 127 O LYS A 20 6.814 -4.768 -8.019 1.00 0.00 O ATOM 128 CB LYS A 20 5.063 -4.972 -5.482 1.00 0.00 C ATOM 129 CG LYS A 20 3.554 -4.779 -5.648 1.00 0.00 C ATOM 130 CD LYS A 20 3.137 -3.360 -5.257 1.00 0.00 C ATOM 131 CE LYS A 20 3.329 -2.391 -6.425 1.00 0.00 C ATOM 132 NZ LYS A 20 2.920 -1.023 -6.037 1.00 0.00 N ATOM 0 H LYS A 20 7.535 -6.063 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 20 4.769 -6.788 -6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.288 -5.237 -4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.579 -4.035 -5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.270 -4.973 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.021 -5.502 -5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.093 -3.357 -4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.726 -3.026 -4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.374 -2.390 -6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.742 -2.723 -7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.057 -0.378 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.917 -1.025 -5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.498 -0.702 -5.234 1.00 0.00 H new ATOM 133 N LEU A 21 5.121 -6.056 -8.785 1.00 0.00 N ATOM 134 CA LEU A 21 5.310 -5.672 -10.174 1.00 0.00 C ATOM 135 C LEU A 21 5.467 -4.153 -10.262 1.00 0.00 C ATOM 136 O LEU A 21 4.937 -3.421 -9.427 1.00 0.00 O ATOM 137 CB LEU A 21 4.177 -6.226 -11.041 1.00 0.00 C ATOM 138 CG LEU A 21 2.820 -5.534 -10.892 1.00 0.00 C ATOM 139 CD1 LEU A 21 2.467 -5.333 -9.418 1.00 0.00 C ATOM 140 CD2 LEU A 21 2.785 -4.220 -11.675 1.00 0.00 C ATOM 0 H LEU A 21 4.360 -6.716 -8.624 1.00 0.00 H new ATOM 0 HA LEU A 21 6.226 -6.110 -10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.482 -6.164 -12.086 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.051 -7.283 -10.808 1.00 0.00 H new ATOM 0 HG LEU A 21 2.056 -6.183 -11.320 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.498 -4.839 -9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.422 -6.301 -8.919 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.229 -4.715 -8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.810 -3.749 -11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.560 -3.552 -11.300 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.960 -4.421 -12.732 1.00 0.00 H new ATOM 141 N ARG A 22 6.197 -3.723 -11.280 1.00 0.00 N ATOM 142 CA ARG A 22 6.707 -2.364 -11.315 1.00 0.00 C ATOM 143 C ARG A 22 5.709 -1.439 -12.013 1.00 0.00 C ATOM 144 O ARG A 22 4.762 -1.905 -12.643 1.00 0.00 O ATOM 145 CB ARG A 22 8.050 -2.298 -12.044 1.00 0.00 C ATOM 146 CG ARG A 22 9.214 -2.277 -11.051 1.00 0.00 C ATOM 147 CD ARG A 22 10.558 -2.245 -11.781 1.00 0.00 C ATOM 148 NE ARG A 22 10.610 -1.081 -12.696 1.00 0.00 N ATOM 149 CZ ARG A 22 10.695 0.192 -12.287 1.00 0.00 C ATOM 150 NH1 ARG A 22 10.925 0.468 -10.996 1.00 0.00 N ATOM 151 NH2 ARG A 22 10.552 1.190 -13.170 1.00 0.00 N ATOM 0 H ARG A 22 6.448 -4.293 -12.088 1.00 0.00 H new ATOM 0 HA ARG A 22 6.850 -2.038 -10.285 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.150 -3.157 -12.708 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.085 -1.406 -12.669 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.128 -1.405 -10.403 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.165 -3.157 -10.410 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.372 -2.187 -11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.697 -3.168 -12.345 1.00 0.00 H new ATOM 0 HE ARG A 22 10.579 -1.260 -13.700 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.036 -0.291 -10.324 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.990 1.437 -10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.378 0.980 -14.153 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.617 2.159 -12.859 1.00 0.00 H new ATOM 152 N PRO A 23 5.964 -0.110 -11.876 1.00 0.00 N ATOM 153 CA PRO A 23 5.178 0.881 -12.592 1.00 0.00 C ATOM 154 C PRO A 23 5.567 0.925 -14.070 1.00 0.00 C ATOM 155 O PRO A 23 6.724 1.176 -14.404 1.00 0.00 O ATOM 156 CB PRO A 23 5.444 2.191 -11.868 1.00 0.00 C ATOM 157 CG PRO A 23 6.720 1.977 -11.070 1.00 0.00 C ATOM 158 CD PRO A 23 7.003 0.483 -11.037 1.00 0.00 C ATOM 0 HA PRO A 23 4.112 0.652 -12.594 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.560 3.012 -12.576 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.613 2.450 -11.212 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.551 2.513 -11.528 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.608 2.367 -10.058 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.998 0.260 -11.422 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.960 0.094 -10.020 1.00 0.00 H new ATOM 159 N GLY A 24 4.578 0.678 -14.917 1.00 0.00 N ATOM 160 CA GLY A 24 4.847 0.380 -16.314 1.00 0.00 C ATOM 161 C GLY A 24 4.018 -0.815 -16.789 1.00 0.00 C ATOM 162 O GLY A 24 3.483 -0.804 -17.896 1.00 0.00 O ATOM 0 H GLY A 24 3.590 0.678 -14.663 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.618 1.252 -16.926 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.908 0.167 -16.446 1.00 0.00 H new ATOM 163 N ALA A 25 3.939 -1.819 -15.927 1.00 0.00 N ATOM 164 CA ALA A 25 2.961 -2.879 -16.101 1.00 0.00 C ATOM 165 C ALA A 25 1.787 -2.645 -15.147 1.00 0.00 C ATOM 166 O ALA A 25 1.979 -2.189 -14.021 1.00 0.00 O ATOM 167 CB ALA A 25 3.633 -4.236 -15.877 1.00 0.00 C ATOM 0 H ALA A 25 4.536 -1.920 -15.106 1.00 0.00 H new ATOM 0 HA ALA A 25 2.567 -2.874 -17.117 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.899 -5.031 -16.008 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.441 -4.365 -16.598 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.038 -4.279 -14.866 1.00 0.00 H new ATOM 168 N GLN A 26 0.598 -2.968 -15.633 1.00 0.00 N ATOM 169 CA GLN A 26 -0.616 -2.698 -14.882 1.00 0.00 C ATOM 170 C GLN A 26 -0.867 -3.809 -13.860 1.00 0.00 C ATOM 171 O GLN A 26 -1.569 -3.601 -12.872 1.00 0.00 O ATOM 172 CB GLN A 26 -1.814 -2.532 -15.818 1.00 0.00 C ATOM 173 CG GLN A 26 -2.908 -1.685 -15.164 1.00 0.00 C ATOM 174 CD GLN A 26 -2.496 -0.212 -15.101 1.00 0.00 C ATOM 175 OE1 GLN A 26 -2.030 0.286 -14.090 1.00 0.00 O ATOM 176 NE2 GLN A 26 -2.694 0.454 -16.236 1.00 0.00 N ATOM 0 H GLN A 26 0.449 -3.414 -16.538 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.485 -1.759 -14.343 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.492 -2.062 -16.747 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.215 -3.512 -16.079 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.835 -1.783 -15.728 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.106 -2.054 -14.158 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.088 -0.024 -17.046 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.451 1.443 -16.296 1.00 0.00 H new ATOM 177 N CYS A 27 -0.281 -4.965 -14.134 1.00 0.00 N ATOM 178 CA CYS A 27 -0.405 -6.099 -13.236 1.00 0.00 C ATOM 179 C CYS A 27 0.729 -7.081 -13.540 1.00 0.00 C ATOM 180 O CYS A 27 1.470 -6.898 -14.505 1.00 0.00 O ATOM 181 CB CYS A 27 -1.780 -6.761 -13.350 1.00 0.00 C ATOM 182 SG CYS A 27 -1.788 -8.366 -14.229 1.00 0.00 S ATOM 0 H CYS A 27 0.282 -5.140 -14.967 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.321 -5.760 -12.204 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.180 -6.910 -12.347 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.455 -6.077 -13.865 1.00 0.00 H new ATOM 183 N ALA A 28 0.827 -8.100 -12.700 1.00 0.00 N ATOM 184 CA ALA A 28 1.839 -9.126 -12.884 1.00 0.00 C ATOM 185 C ALA A 28 1.426 -10.043 -14.038 1.00 0.00 C ATOM 186 O ALA A 28 2.196 -10.254 -14.973 1.00 0.00 O ATOM 187 CB ALA A 28 2.034 -9.892 -11.573 1.00 0.00 C ATOM 0 H ALA A 28 0.222 -8.237 -11.890 1.00 0.00 H new ATOM 0 HA ALA A 28 2.797 -8.677 -13.146 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.793 -10.662 -11.711 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.355 -9.202 -10.793 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.093 -10.358 -11.281 1.00 0.00 H new ATOM 188 N ASP A 29 0.212 -10.561 -13.934 1.00 0.00 N ATOM 189 CA ASP A 29 -0.293 -11.491 -14.931 1.00 0.00 C ATOM 190 C ASP A 29 -1.734 -11.868 -14.585 1.00 0.00 C ATOM 191 O ASP A 29 -2.209 -11.583 -13.488 1.00 0.00 O ATOM 192 CB ASP A 29 0.539 -12.775 -14.957 1.00 0.00 C ATOM 193 CG ASP A 29 0.452 -13.576 -16.257 1.00 0.00 C ATOM 194 OD1 ASP A 29 -0.265 -13.195 -17.195 1.00 0.00 O ATOM 195 OD2 ASP A 29 1.170 -14.647 -16.287 1.00 0.00 O ATOM 0 H ASP A 29 -0.438 -10.355 -13.175 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.237 -11.005 -15.905 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.583 -12.517 -14.776 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.220 -13.413 -14.133 1.00 0.00 H new ATOM 196 N GLY A 30 -2.391 -12.506 -15.544 1.00 0.00 N ATOM 197 CA GLY A 30 -3.760 -12.951 -15.346 1.00 0.00 C ATOM 198 C GLY A 30 -4.453 -13.208 -16.686 1.00 0.00 C ATOM 199 O GLY A 30 -3.942 -12.823 -17.736 1.00 0.00 O ATOM 0 H GLY A 30 -2.000 -12.725 -16.460 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.767 -13.863 -14.748 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.313 -12.198 -14.785 1.00 0.00 H new ATOM 200 N LEU A 31 -5.605 -13.857 -16.605 1.00 0.00 N ATOM 201 CA LEU A 31 -6.389 -14.142 -17.794 1.00 0.00 C ATOM 202 C LEU A 31 -6.818 -12.825 -18.443 1.00 0.00 C ATOM 203 O LEU A 31 -6.992 -12.755 -19.659 1.00 0.00 O ATOM 204 CB LEU A 31 -7.556 -15.071 -17.457 1.00 0.00 C ATOM 205 CG LEU A 31 -7.222 -16.561 -17.364 1.00 0.00 C ATOM 206 CD1 LEU A 31 -8.222 -17.292 -16.466 1.00 0.00 C ATOM 207 CD2 LEU A 31 -7.135 -17.191 -18.756 1.00 0.00 C ATOM 0 H LEU A 31 -6.014 -14.194 -15.734 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.788 -14.679 -18.528 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.983 -14.755 -16.505 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.330 -14.939 -18.213 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.240 -16.663 -16.902 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.962 -18.349 -16.417 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.192 -16.864 -15.464 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.226 -17.184 -16.876 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.896 -18.250 -18.662 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.091 -17.078 -19.267 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.355 -16.693 -19.332 1.00 0.00 H new ATOM 208 N CYS A 32 -6.978 -11.813 -17.603 1.00 0.00 N ATOM 209 CA CYS A 32 -7.405 -10.507 -18.078 1.00 0.00 C ATOM 210 C CYS A 32 -6.226 -9.540 -17.949 1.00 0.00 C ATOM 211 O CYS A 32 -6.421 -8.336 -17.785 1.00 0.00 O ATOM 212 CB CYS A 32 -8.639 -10.006 -17.323 1.00 0.00 C ATOM 213 SG CYS A 32 -9.751 -8.930 -18.299 1.00 0.00 S ATOM 0 H CYS A 32 -6.820 -11.871 -16.597 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.704 -10.577 -19.124 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.207 -10.867 -16.971 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.310 -9.459 -16.440 1.00 0.00 H new ATOM 214 N CYS A 33 -5.029 -10.103 -18.027 1.00 0.00 N ATOM 215 CA CYS A 33 -3.821 -9.295 -18.024 1.00 0.00 C ATOM 216 C CYS A 33 -2.994 -9.664 -19.256 1.00 0.00 C ATOM 217 O CYS A 33 -2.598 -10.817 -19.421 1.00 0.00 O ATOM 218 CB CYS A 33 -3.026 -9.473 -16.729 1.00 0.00 C ATOM 219 SG CYS A 33 -2.128 -7.980 -16.169 1.00 0.00 S ATOM 0 H CYS A 33 -4.870 -11.108 -18.093 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.086 -8.239 -18.069 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.709 -9.786 -15.940 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.308 -10.281 -16.868 1.00 0.00 H new ATOM 220 N ASP A 34 -2.757 -8.664 -20.091 1.00 0.00 N ATOM 221 CA ASP A 34 -1.952 -8.860 -21.286 1.00 0.00 C ATOM 222 C ASP A 34 -0.481 -8.997 -20.887 1.00 0.00 C ATOM 223 O ASP A 34 0.319 -8.097 -21.137 1.00 0.00 O ATOM 224 CB ASP A 34 -2.076 -7.666 -22.235 1.00 0.00 C ATOM 225 CG ASP A 34 -1.345 -7.824 -23.570 1.00 0.00 C ATOM 226 OD1 ASP A 34 -1.454 -8.863 -24.238 1.00 0.00 O ATOM 227 OD2 ASP A 34 -0.631 -6.810 -23.924 1.00 0.00 O ATOM 0 H ASP A 34 -3.108 -7.715 -19.964 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.308 -9.759 -21.789 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.133 -7.488 -22.435 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.693 -6.779 -21.731 1.00 0.00 H new ATOM 228 N GLN A 35 -0.170 -10.130 -20.275 1.00 0.00 N ATOM 229 CA GLN A 35 1.186 -10.387 -19.821 1.00 0.00 C ATOM 230 C GLN A 35 1.871 -9.077 -19.426 1.00 0.00 C ATOM 231 O GLN A 35 3.023 -8.842 -19.788 1.00 0.00 O ATOM 232 CB GLN A 35 1.991 -11.128 -20.890 1.00 0.00 C ATOM 233 CG GLN A 35 1.726 -10.543 -22.279 1.00 0.00 C ATOM 234 CD GLN A 35 2.775 -11.021 -23.284 1.00 0.00 C ATOM 235 OE1 GLN A 35 2.532 -11.885 -24.112 1.00 0.00 O ATOM 236 NE2 GLN A 35 3.953 -10.414 -23.168 1.00 0.00 N ATOM 0 H GLN A 35 -0.834 -10.880 -20.083 1.00 0.00 H new ATOM 0 HA GLN A 35 1.139 -11.028 -18.941 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.055 -11.062 -20.660 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.728 -12.186 -20.881 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.732 -10.837 -22.618 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.736 -9.454 -22.227 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.090 -9.699 -22.453 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.719 -10.663 -23.794 1.00 0.00 H new ATOM 237 N CYS A 36 1.133 -8.259 -18.690 1.00 0.00 N ATOM 238 CA CYS A 36 1.720 -7.094 -18.051 1.00 0.00 C ATOM 239 C CYS A 36 0.618 -6.052 -17.848 1.00 0.00 C ATOM 240 O CYS A 36 0.393 -5.591 -16.730 1.00 0.00 O ATOM 241 CB CYS A 36 2.892 -6.535 -18.860 1.00 0.00 C ATOM 242 SG CYS A 36 4.539 -7.144 -18.345 1.00 0.00 S ATOM 0 H CYS A 36 0.134 -8.380 -18.522 1.00 0.00 H new ATOM 0 HA CYS A 36 2.135 -7.377 -17.083 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.741 -6.782 -19.911 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.882 -5.448 -18.784 1.00 0.00 H new ATOM 243 N ARG A 37 -0.039 -5.710 -18.947 1.00 0.00 N ATOM 244 CA ARG A 37 -1.136 -4.758 -18.898 1.00 0.00 C ATOM 245 C ARG A 37 -2.472 -5.493 -18.793 1.00 0.00 C ATOM 246 O ARG A 37 -2.504 -6.713 -18.638 1.00 0.00 O ATOM 247 CB ARG A 37 -1.147 -3.867 -20.142 1.00 0.00 C ATOM 248 CG ARG A 37 0.230 -3.246 -20.385 1.00 0.00 C ATOM 249 CD ARG A 37 0.133 -2.055 -21.340 1.00 0.00 C ATOM 250 NE ARG A 37 -0.067 -2.532 -22.727 1.00 0.00 N ATOM 251 CZ ARG A 37 -0.150 -1.727 -23.794 1.00 0.00 C ATOM 252 NH1 ARG A 37 -0.075 -0.399 -23.639 1.00 0.00 N ATOM 253 NH2 ARG A 37 -0.312 -2.251 -25.017 1.00 0.00 N ATOM 0 H ARG A 37 0.167 -6.075 -19.877 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.993 -4.131 -18.018 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.443 -4.454 -21.011 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.889 -3.078 -20.022 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.659 -2.922 -19.437 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.903 -3.996 -20.800 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.695 -1.409 -21.046 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.042 -1.456 -21.280 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.147 -3.537 -22.880 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.045 -0.000 -22.708 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.138 0.214 -24.452 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.372 -3.262 -25.135 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.375 -1.638 -25.830 1.00 0.00 H new ATOM 254 N PHE A 38 -3.545 -4.720 -18.881 1.00 0.00 N ATOM 255 CA PHE A 38 -4.882 -5.288 -18.843 1.00 0.00 C ATOM 256 C PHE A 38 -5.308 -5.782 -20.226 1.00 0.00 C ATOM 257 O PHE A 38 -4.696 -5.424 -21.232 1.00 0.00 O ATOM 258 CB PHE A 38 -5.830 -4.171 -18.399 1.00 0.00 C ATOM 259 CG PHE A 38 -5.871 -3.954 -16.885 1.00 0.00 C ATOM 260 CD1 PHE A 38 -4.862 -4.425 -16.103 1.00 0.00 C ATOM 261 CD2 PHE A 38 -6.916 -3.292 -16.321 1.00 0.00 C ATOM 262 CE1 PHE A 38 -4.900 -4.223 -14.698 1.00 0.00 C ATOM 263 CE2 PHE A 38 -6.953 -3.090 -14.916 1.00 0.00 C ATOM 264 CZ PHE A 38 -5.945 -3.560 -14.134 1.00 0.00 C ATOM 0 H PHE A 38 -3.515 -3.705 -18.978 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.906 -6.138 -18.161 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.530 -3.241 -18.881 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.836 -4.401 -18.750 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.033 -4.952 -16.551 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.718 -2.920 -16.941 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.099 -4.596 -14.077 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.782 -2.563 -14.468 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.974 -3.407 -13.065 1.00 0.00 H new ATOM 265 N LYS A 39 -6.352 -6.597 -20.233 1.00 0.00 N ATOM 266 CA LYS A 39 -6.895 -7.107 -21.481 1.00 0.00 C ATOM 267 C LYS A 39 -8.142 -6.304 -21.855 1.00 0.00 C ATOM 268 O LYS A 39 -9.039 -6.124 -21.034 1.00 0.00 O ATOM 269 CB LYS A 39 -7.141 -8.614 -21.381 1.00 0.00 C ATOM 270 CG LYS A 39 -5.824 -9.375 -21.213 1.00 0.00 C ATOM 271 CD LYS A 39 -5.360 -9.970 -22.543 1.00 0.00 C ATOM 272 CE LYS A 39 -4.685 -11.326 -22.332 1.00 0.00 C ATOM 273 NZ LYS A 39 -5.699 -12.385 -22.131 1.00 0.00 N ATOM 0 H LYS A 39 -6.837 -6.917 -19.395 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.177 -6.977 -22.291 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.797 -8.824 -20.536 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.655 -8.962 -22.277 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.059 -8.703 -20.825 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.951 -10.171 -20.479 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.213 -10.085 -23.211 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.665 -9.285 -23.029 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.064 -11.568 -23.195 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.024 -11.279 -21.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.269 -13.315 -22.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.051 -12.348 -21.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.490 -12.237 -22.789 1.00 0.00 H new ATOM 274 N LYS A 40 -8.157 -5.842 -23.097 1.00 0.00 N ATOM 275 CA LYS A 40 -9.281 -5.066 -23.593 1.00 0.00 C ATOM 276 C LYS A 40 -10.554 -5.911 -23.516 1.00 0.00 C ATOM 277 O LYS A 40 -10.489 -7.139 -23.530 1.00 0.00 O ATOM 278 CB LYS A 40 -8.984 -4.527 -24.994 1.00 0.00 C ATOM 279 CG LYS A 40 -9.073 -5.640 -26.039 1.00 0.00 C ATOM 280 CD LYS A 40 -8.695 -5.120 -27.428 1.00 0.00 C ATOM 281 CE LYS A 40 -7.198 -5.296 -27.691 1.00 0.00 C ATOM 282 NZ LYS A 40 -6.914 -6.667 -28.170 1.00 0.00 N ATOM 0 H LYS A 40 -7.409 -5.990 -23.774 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.443 -4.189 -22.967 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.691 -3.735 -25.240 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.988 -4.084 -25.014 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.410 -6.459 -25.761 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.085 -6.043 -26.061 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.266 -5.653 -28.188 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.961 -4.066 -27.510 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.865 -4.569 -28.432 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.637 -5.100 -26.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.894 -6.770 -28.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.214 -7.355 -27.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.435 -6.841 -29.053 1.00 0.00 H new ATOM 283 N LYS A 41 -11.681 -5.220 -23.438 1.00 0.00 N ATOM 284 CA LYS A 41 -12.969 -5.892 -23.399 1.00 0.00 C ATOM 285 C LYS A 41 -13.079 -6.844 -24.591 1.00 0.00 C ATOM 286 O LYS A 41 -12.485 -6.603 -25.641 1.00 0.00 O ATOM 287 CB LYS A 41 -14.105 -4.868 -23.323 1.00 0.00 C ATOM 288 CG LYS A 41 -15.353 -5.482 -22.685 1.00 0.00 C ATOM 289 CD LYS A 41 -16.563 -4.560 -22.853 1.00 0.00 C ATOM 290 CE LYS A 41 -16.314 -3.203 -22.194 1.00 0.00 C ATOM 291 NZ LYS A 41 -15.923 -3.378 -20.778 1.00 0.00 N ATOM 0 H LYS A 41 -11.730 -4.202 -23.401 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.055 -6.498 -22.497 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.783 -4.004 -22.742 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.343 -4.508 -24.324 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.562 -6.449 -23.142 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.173 -5.663 -21.625 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.774 -4.420 -23.913 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.444 -5.026 -22.412 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.529 -2.670 -22.731 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.214 -2.592 -22.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.132 -2.507 -20.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.457 -4.169 -20.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.905 -3.581 -20.722 1.00 0.00 H new ATOM 292 N ARG A 42 -13.843 -7.908 -24.389 1.00 0.00 N ATOM 293 CA ARG A 42 -14.221 -8.778 -25.489 1.00 0.00 C ATOM 294 C ARG A 42 -13.188 -9.892 -25.664 1.00 0.00 C ATOM 295 O ARG A 42 -13.288 -10.698 -26.588 1.00 0.00 O ATOM 296 CB ARG A 42 -14.339 -7.992 -26.797 1.00 0.00 C ATOM 297 CG ARG A 42 -15.340 -8.655 -27.745 1.00 0.00 C ATOM 298 CD ARG A 42 -15.184 -8.118 -29.170 1.00 0.00 C ATOM 299 NE ARG A 42 -16.224 -8.698 -30.047 1.00 0.00 N ATOM 300 CZ ARG A 42 -17.420 -8.136 -30.268 1.00 0.00 C ATOM 301 NH1 ARG A 42 -17.831 -7.114 -29.504 1.00 0.00 N ATOM 302 NH2 ARG A 42 -18.206 -8.595 -31.252 1.00 0.00 N ATOM 0 H ARG A 42 -14.210 -8.187 -23.479 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.192 -9.212 -25.250 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -14.655 -6.971 -26.585 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.363 -7.930 -27.278 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.190 -9.735 -27.741 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.355 -8.473 -27.393 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.263 -7.031 -29.168 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.194 -8.365 -29.554 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.018 -9.582 -30.513 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.233 -6.765 -28.755 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -18.741 -6.686 -29.672 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.894 -9.373 -31.833 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.116 -8.166 -31.419 1.00 0.00 H new ATOM 303 N THR A 43 -12.217 -9.904 -24.762 1.00 0.00 N ATOM 304 CA THR A 43 -11.260 -10.995 -24.705 1.00 0.00 C ATOM 305 C THR A 43 -11.812 -12.146 -23.861 1.00 0.00 C ATOM 306 O THR A 43 -12.512 -11.917 -22.876 1.00 0.00 O ATOM 307 CB THR A 43 -9.937 -10.437 -24.179 1.00 0.00 C ATOM 308 OG1 THR A 43 -9.099 -10.387 -25.330 1.00 0.00 O ATOM 309 CG2 THR A 43 -9.222 -11.410 -23.239 1.00 0.00 C ATOM 0 H THR A 43 -12.073 -9.174 -24.064 1.00 0.00 H new ATOM 0 HA THR A 43 -11.081 -11.416 -25.695 1.00 0.00 H new ATOM 0 HB THR A 43 -10.122 -9.498 -23.656 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.220 -10.034 -25.079 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.289 -10.964 -22.895 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.860 -11.623 -22.381 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.007 -12.337 -23.770 1.00 0.00 H new ATOM 310 N ILE A 44 -11.477 -13.358 -24.278 1.00 0.00 N ATOM 311 CA ILE A 44 -11.987 -14.546 -23.616 1.00 0.00 C ATOM 312 C ILE A 44 -11.083 -14.891 -22.430 1.00 0.00 C ATOM 313 O ILE A 44 -9.923 -15.255 -22.614 1.00 0.00 O ATOM 314 CB ILE A 44 -12.149 -15.690 -24.617 1.00 0.00 C ATOM 315 CG1 ILE A 44 -12.979 -15.248 -25.825 1.00 0.00 C ATOM 316 CG2 ILE A 44 -12.737 -16.931 -23.942 1.00 0.00 C ATOM 317 CD1 ILE A 44 -14.468 -15.193 -25.477 1.00 0.00 C ATOM 0 H ILE A 44 -10.858 -13.543 -25.067 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.984 -14.360 -23.216 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.160 -15.962 -24.987 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.644 -14.267 -26.161 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.821 -15.940 -26.652 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.842 -17.730 -24.677 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -12.073 -17.259 -23.142 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -13.715 -16.690 -23.526 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -15.035 -14.876 -26.353 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.805 -16.181 -25.164 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.626 -14.482 -24.666 1.00 0.00 H new ATOM 318 N CYS A 45 -11.650 -14.762 -21.238 1.00 0.00 N ATOM 319 CA CYS A 45 -10.927 -15.107 -20.026 1.00 0.00 C ATOM 320 C CYS A 45 -11.278 -16.548 -19.650 1.00 0.00 C ATOM 321 O CYS A 45 -10.499 -17.227 -18.984 1.00 0.00 O ATOM 322 CB CYS A 45 -11.233 -14.130 -18.888 1.00 0.00 C ATOM 323 SG CYS A 45 -12.751 -14.508 -17.939 1.00 0.00 S ATOM 0 H CYS A 45 -12.600 -14.424 -21.087 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.855 -15.031 -20.205 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.386 -14.117 -18.202 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.322 -13.126 -19.304 1.00 0.00 H new ATOM 324 N ARG A 46 -12.452 -16.972 -20.095 1.00 0.00 N ATOM 325 CA ARG A 46 -12.913 -18.322 -19.819 1.00 0.00 C ATOM 326 C ARG A 46 -13.886 -18.783 -20.906 1.00 0.00 C ATOM 327 O ARG A 46 -14.890 -18.121 -21.167 1.00 0.00 O ATOM 328 CB ARG A 46 -13.608 -18.398 -18.457 1.00 0.00 C ATOM 329 CG ARG A 46 -14.165 -19.801 -18.204 1.00 0.00 C ATOM 330 CD ARG A 46 -14.790 -19.899 -16.810 1.00 0.00 C ATOM 331 NE ARG A 46 -13.749 -19.716 -15.775 1.00 0.00 N ATOM 332 CZ ARG A 46 -13.682 -18.659 -14.954 1.00 0.00 C ATOM 333 NH1 ARG A 46 -14.793 -17.967 -14.662 1.00 0.00 N ATOM 334 NH2 ARG A 46 -12.507 -18.294 -14.425 1.00 0.00 N ATOM 0 H ARG A 46 -13.097 -16.405 -20.644 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.040 -18.975 -19.807 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.902 -18.135 -17.669 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.417 -17.669 -18.416 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.913 -20.041 -18.960 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.366 -20.536 -18.301 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.565 -19.141 -16.696 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.272 -20.869 -16.686 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.037 -20.440 -15.680 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.688 -18.245 -15.065 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.743 -17.162 -14.037 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.662 -18.821 -14.647 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.457 -17.489 -13.800 1.00 0.00 H new ATOM 335 N ILE A 47 -13.556 -19.915 -21.509 1.00 0.00 N ATOM 336 CA ILE A 47 -14.410 -20.496 -22.531 1.00 0.00 C ATOM 337 C ILE A 47 -15.492 -21.346 -21.863 1.00 0.00 C ATOM 338 O ILE A 47 -15.292 -21.859 -20.763 1.00 0.00 O ATOM 339 CB ILE A 47 -13.572 -21.260 -23.558 1.00 0.00 C ATOM 340 CG1 ILE A 47 -12.235 -20.561 -23.807 1.00 0.00 C ATOM 341 CG2 ILE A 47 -14.356 -21.475 -24.854 1.00 0.00 C ATOM 342 CD1 ILE A 47 -11.067 -21.424 -23.325 1.00 0.00 C ATOM 0 H ILE A 47 -12.708 -20.446 -21.309 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.921 -19.713 -23.091 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.348 -22.245 -23.149 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.123 -20.352 -24.871 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.220 -19.601 -23.290 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.738 -22.020 -25.567 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -15.258 -22.049 -24.643 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -14.632 -20.509 -25.277 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.128 -20.904 -23.514 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.170 -21.611 -22.256 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.070 -22.373 -23.861 1.00 0.00 H new ATOM 343 N ALA A 48 -16.615 -21.470 -22.557 1.00 0.00 N ATOM 344 CA ALA A 48 -17.740 -22.223 -22.030 1.00 0.00 C ATOM 345 C ALA A 48 -17.758 -23.615 -22.663 1.00 0.00 C ATOM 346 O ALA A 48 -17.716 -23.745 -23.886 1.00 0.00 O ATOM 347 CB ALA A 48 -19.035 -21.450 -22.284 1.00 0.00 C ATOM 0 H ALA A 48 -16.769 -21.062 -23.479 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.644 -22.353 -20.952 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.879 -22.015 -21.889 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.983 -20.480 -21.789 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.167 -21.303 -23.356 1.00 0.00 H new ATOM 348 N ARG A 49 -17.819 -24.621 -21.804 1.00 0.00 N ATOM 349 CA ARG A 49 -18.018 -25.986 -22.262 1.00 0.00 C ATOM 350 C ARG A 49 -19.492 -26.377 -22.138 1.00 0.00 C ATOM 351 O ARG A 49 -20.109 -26.166 -21.096 1.00 0.00 O ATOM 352 CB ARG A 49 -17.168 -26.967 -21.453 1.00 0.00 C ATOM 353 CG ARG A 49 -15.795 -27.166 -22.100 1.00 0.00 C ATOM 354 CD ARG A 49 -14.750 -27.569 -21.058 1.00 0.00 C ATOM 355 NE ARG A 49 -14.625 -26.511 -20.031 1.00 0.00 N ATOM 356 CZ ARG A 49 -14.295 -25.239 -20.299 1.00 0.00 C ATOM 357 NH1 ARG A 49 -13.605 -24.946 -21.410 1.00 0.00 N ATOM 358 NH2 ARG A 49 -14.653 -24.263 -19.455 1.00 0.00 N ATOM 0 H ARG A 49 -17.734 -24.519 -20.793 1.00 0.00 H new ATOM 0 HA ARG A 49 -17.712 -26.034 -23.307 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -17.044 -26.594 -20.436 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -17.682 -27.925 -21.381 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.860 -27.934 -22.870 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.485 -26.245 -22.594 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.036 -28.510 -20.589 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.787 -27.734 -21.541 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.801 -26.765 -19.059 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.331 -25.690 -22.051 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.354 -23.979 -21.614 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.176 -24.487 -18.609 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.402 -23.295 -19.658 1.00 0.00 H new ATOM 359 N GLY A 50 -20.014 -26.941 -23.217 1.00 0.00 N ATOM 360 CA GLY A 50 -21.438 -27.215 -23.305 1.00 0.00 C ATOM 361 C GLY A 50 -22.165 -26.105 -24.066 1.00 0.00 C ATOM 362 O GLY A 50 -21.667 -25.614 -25.079 1.00 0.00 O ATOM 0 H GLY A 50 -19.476 -27.216 -24.039 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -21.598 -28.169 -23.807 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -21.857 -27.308 -22.303 1.00 0.00 H new ATOM 363 N ASP A 51 -23.329 -25.740 -23.550 1.00 0.00 N ATOM 364 CA ASP A 51 -24.140 -24.715 -24.183 1.00 0.00 C ATOM 365 C ASP A 51 -24.346 -23.557 -23.203 1.00 0.00 C ATOM 366 O ASP A 51 -25.479 -23.158 -22.937 1.00 0.00 O ATOM 367 CB ASP A 51 -25.518 -25.260 -24.566 1.00 0.00 C ATOM 368 CG ASP A 51 -26.117 -26.259 -23.574 1.00 0.00 C ATOM 369 OD1 ASP A 51 -25.635 -26.399 -22.440 1.00 0.00 O ATOM 370 OD2 ASP A 51 -27.136 -26.917 -24.012 1.00 0.00 O ATOM 0 H ASP A 51 -23.730 -26.136 -22.700 1.00 0.00 H new ATOM 0 HA ASP A 51 -23.621 -24.382 -25.082 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -26.206 -24.422 -24.675 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -25.444 -25.740 -25.542 1.00 0.00 H new ATOM 371 N PHE A 52 -23.233 -23.050 -22.694 1.00 0.00 N ATOM 372 CA PHE A 52 -23.268 -21.876 -21.839 1.00 0.00 C ATOM 373 C PHE A 52 -22.552 -20.696 -22.500 1.00 0.00 C ATOM 374 O PHE A 52 -21.718 -20.887 -23.383 1.00 0.00 O ATOM 375 CB PHE A 52 -22.538 -22.241 -20.546 1.00 0.00 C ATOM 376 CG PHE A 52 -22.829 -23.657 -20.045 1.00 0.00 C ATOM 377 CD1 PHE A 52 -24.106 -24.126 -20.038 1.00 0.00 C ATOM 378 CD2 PHE A 52 -21.813 -24.445 -19.604 1.00 0.00 C ATOM 379 CE1 PHE A 52 -24.377 -25.441 -19.574 1.00 0.00 C ATOM 380 CE2 PHE A 52 -22.084 -25.759 -19.140 1.00 0.00 C ATOM 381 CZ PHE A 52 -23.360 -26.229 -19.133 1.00 0.00 C ATOM 0 H PHE A 52 -22.301 -23.431 -22.857 1.00 0.00 H new ATOM 0 HA PHE A 52 -24.301 -21.582 -21.653 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -21.465 -22.136 -20.705 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -22.816 -21.528 -19.770 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -24.914 -23.499 -20.385 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -20.800 -24.071 -19.607 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -25.390 -25.815 -19.571 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -21.276 -26.386 -18.792 1.00 0.00 H new ATOM 0 HZ PHE A 52 -23.566 -27.228 -18.777 1.00 0.00 H new ATOM 382 N PRO A 53 -22.915 -19.470 -22.035 1.00 0.00 N ATOM 383 CA PRO A 53 -22.253 -18.266 -22.506 1.00 0.00 C ATOM 384 C PRO A 53 -20.862 -18.127 -21.887 1.00 0.00 C ATOM 385 O PRO A 53 -20.705 -18.232 -20.672 1.00 0.00 O ATOM 386 CB PRO A 53 -23.188 -17.129 -22.127 1.00 0.00 C ATOM 387 CG PRO A 53 -24.108 -17.687 -21.053 1.00 0.00 C ATOM 388 CD PRO A 53 -23.961 -19.200 -21.053 1.00 0.00 C ATOM 0 HA PRO A 53 -22.076 -18.277 -23.581 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -22.629 -16.271 -21.755 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -23.758 -16.788 -22.991 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -23.847 -17.278 -20.077 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -25.142 -17.404 -21.251 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -23.683 -19.571 -20.066 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -24.896 -19.689 -21.326 1.00 0.00 H new ATOM 389 N ASP A 54 -19.884 -17.894 -22.751 1.00 0.00 N ATOM 390 CA ASP A 54 -18.525 -17.654 -22.297 1.00 0.00 C ATOM 391 C ASP A 54 -18.449 -16.280 -21.630 1.00 0.00 C ATOM 392 O ASP A 54 -19.344 -15.453 -21.798 1.00 0.00 O ATOM 393 CB ASP A 54 -17.543 -17.665 -23.471 1.00 0.00 C ATOM 394 CG ASP A 54 -17.787 -16.586 -24.527 1.00 0.00 C ATOM 395 OD1 ASP A 54 -17.272 -15.434 -24.259 1.00 0.00 O ATOM 396 OD2 ASP A 54 -18.434 -16.833 -25.555 1.00 0.00 O ATOM 0 H ASP A 54 -20.006 -17.866 -23.763 1.00 0.00 H new ATOM 0 HA ASP A 54 -18.259 -18.445 -21.596 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -16.532 -17.548 -23.081 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -17.588 -18.641 -23.954 1.00 0.00 H new ATOM 397 N ASP A 55 -17.371 -16.078 -20.885 1.00 0.00 N ATOM 398 CA ASP A 55 -17.161 -14.814 -20.201 1.00 0.00 C ATOM 399 C ASP A 55 -16.083 -14.014 -20.934 1.00 0.00 C ATOM 400 O ASP A 55 -15.064 -14.569 -21.343 1.00 0.00 O ATOM 401 CB ASP A 55 -16.688 -15.038 -18.763 1.00 0.00 C ATOM 402 CG ASP A 55 -16.243 -13.774 -18.024 1.00 0.00 C ATOM 403 OD1 ASP A 55 -16.619 -12.652 -18.394 1.00 0.00 O ATOM 404 OD2 ASP A 55 -15.466 -13.978 -17.014 1.00 0.00 O ATOM 0 H ASP A 55 -16.634 -16.769 -20.741 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.109 -14.276 -20.190 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.496 -15.505 -18.199 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.858 -15.745 -18.775 1.00 0.00 H new ATOM 405 N ARG A 56 -16.344 -12.723 -21.079 1.00 0.00 N ATOM 406 CA ARG A 56 -15.400 -11.838 -21.738 1.00 0.00 C ATOM 407 C ARG A 56 -14.760 -10.891 -20.719 1.00 0.00 C ATOM 408 O ARG A 56 -15.282 -10.712 -19.620 1.00 0.00 O ATOM 409 CB ARG A 56 -16.086 -11.013 -22.828 1.00 0.00 C ATOM 410 CG ARG A 56 -16.227 -11.822 -24.120 1.00 0.00 C ATOM 411 CD ARG A 56 -17.648 -11.718 -24.679 1.00 0.00 C ATOM 412 NE ARG A 56 -18.599 -12.400 -23.773 1.00 0.00 N ATOM 413 CZ ARG A 56 -19.868 -12.686 -24.094 1.00 0.00 C ATOM 414 NH1 ARG A 56 -20.401 -12.195 -25.221 1.00 0.00 N ATOM 415 NH2 ARG A 56 -20.604 -13.463 -23.288 1.00 0.00 N ATOM 0 H ARG A 56 -17.196 -12.269 -20.751 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.630 -12.458 -22.198 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -17.070 -10.696 -22.484 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.509 -10.109 -23.022 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.514 -11.459 -24.860 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.983 -12.867 -23.928 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -17.928 -10.671 -24.792 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.691 -12.168 -25.671 1.00 0.00 H new ATOM 0 HE ARG A 56 -18.268 -12.669 -22.847 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -19.841 -11.603 -25.835 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -21.367 -12.413 -25.465 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -20.198 -13.837 -22.430 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -21.570 -13.681 -23.532 1.00 0.00 H new ATOM 416 N CYS A 57 -13.640 -10.310 -21.121 1.00 0.00 N ATOM 417 CA CYS A 57 -12.881 -9.451 -20.229 1.00 0.00 C ATOM 418 C CYS A 57 -13.628 -8.123 -20.090 1.00 0.00 C ATOM 419 O CYS A 57 -14.543 -7.838 -20.860 1.00 0.00 O ATOM 420 CB CYS A 57 -11.446 -9.250 -20.723 1.00 0.00 C ATOM 421 SG CYS A 57 -10.189 -10.265 -19.864 1.00 0.00 S ATOM 0 H CYS A 57 -13.240 -10.417 -22.053 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.796 -9.923 -19.250 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -11.409 -9.476 -21.789 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.182 -8.198 -20.611 1.00 0.00 H new ATOM 422 N THR A 58 -13.210 -7.347 -19.101 1.00 0.00 N ATOM 423 CA THR A 58 -13.813 -6.046 -18.865 1.00 0.00 C ATOM 424 C THR A 58 -12.855 -4.930 -19.287 1.00 0.00 C ATOM 425 O THR A 58 -13.271 -3.951 -19.906 1.00 0.00 O ATOM 426 CB THR A 58 -14.218 -5.973 -17.391 1.00 0.00 C ATOM 427 OG1 THR A 58 -12.994 -6.152 -16.685 1.00 0.00 O ATOM 428 CG2 THR A 58 -15.074 -7.166 -16.961 1.00 0.00 C ATOM 0 H THR A 58 -12.461 -7.594 -18.454 1.00 0.00 H new ATOM 0 HA THR A 58 -14.709 -5.910 -19.471 1.00 0.00 H new ATOM 0 HB THR A 58 -14.766 -5.048 -17.210 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.164 -6.117 -15.721 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.334 -7.066 -15.907 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.985 -7.194 -17.559 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.513 -8.089 -17.110 1.00 0.00 H new ATOM 429 N GLY A 59 -11.592 -5.113 -18.935 1.00 0.00 N ATOM 430 CA GLY A 59 -10.574 -4.125 -19.254 1.00 0.00 C ATOM 431 C GLY A 59 -10.334 -3.185 -18.071 1.00 0.00 C ATOM 432 O GLY A 59 -10.026 -2.009 -18.261 1.00 0.00 O ATOM 0 H GLY A 59 -11.249 -5.931 -18.432 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.644 -4.628 -19.518 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.883 -3.548 -20.125 1.00 0.00 H new ATOM 433 N LEU A 60 -10.484 -3.737 -16.876 1.00 0.00 N ATOM 434 CA LEU A 60 -10.255 -2.971 -15.663 1.00 0.00 C ATOM 435 C LEU A 60 -10.000 -3.932 -14.499 1.00 0.00 C ATOM 436 O LEU A 60 -10.286 -3.606 -13.348 1.00 0.00 O ATOM 437 CB LEU A 60 -11.411 -2.000 -15.417 1.00 0.00 C ATOM 438 CG LEU A 60 -12.804 -2.626 -15.318 1.00 0.00 C ATOM 439 CD1 LEU A 60 -13.492 -2.230 -14.010 1.00 0.00 C ATOM 440 CD2 LEU A 60 -13.652 -2.272 -16.541 1.00 0.00 C ATOM 0 H LEU A 60 -10.762 -4.706 -16.722 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.365 -2.351 -15.766 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.212 -1.456 -14.493 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.421 -1.266 -16.223 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.691 -3.710 -15.307 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.480 -2.688 -13.965 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.894 -2.574 -13.166 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.593 -1.146 -13.966 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.637 -2.729 -16.446 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.759 -1.189 -16.608 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.165 -2.645 -17.442 1.00 0.00 H new ATOM 441 N SER A 61 -9.463 -5.093 -14.840 1.00 0.00 N ATOM 442 CA SER A 61 -9.231 -6.129 -13.848 1.00 0.00 C ATOM 443 C SER A 61 -8.239 -7.160 -14.391 1.00 0.00 C ATOM 444 O SER A 61 -7.849 -7.099 -15.556 1.00 0.00 O ATOM 445 CB SER A 61 -10.539 -6.813 -13.447 1.00 0.00 C ATOM 446 OG SER A 61 -11.630 -5.897 -13.414 1.00 0.00 O ATOM 0 H SER A 61 -9.182 -5.340 -15.789 1.00 0.00 H new ATOM 0 HA SER A 61 -8.810 -5.661 -12.958 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.760 -7.615 -14.151 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.422 -7.273 -12.466 1.00 0.00 H new ATOM 0 HG SER A 61 -11.328 -5.042 -13.041 1.00 0.00 H new ATOM 447 N ASN A 62 -7.858 -8.083 -13.521 1.00 0.00 N ATOM 448 CA ASN A 62 -6.996 -9.181 -13.923 1.00 0.00 C ATOM 449 C ASN A 62 -7.653 -10.509 -13.539 1.00 0.00 C ATOM 450 O ASN A 62 -7.026 -11.563 -13.627 1.00 0.00 O ATOM 451 CB ASN A 62 -5.639 -9.103 -13.218 1.00 0.00 C ATOM 452 CG ASN A 62 -5.019 -7.713 -13.376 1.00 0.00 C ATOM 453 OD1 ASN A 62 -4.900 -6.948 -12.433 1.00 0.00 O ATOM 454 ND2 ASN A 62 -4.632 -7.432 -14.617 1.00 0.00 N ATOM 0 H ASN A 62 -8.131 -8.093 -12.538 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.847 -9.115 -15.001 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.761 -9.333 -12.159 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.966 -9.854 -13.632 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.206 -6.529 -14.826 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.761 -8.119 -15.360 1.00 0.00 H new ATOM 455 N ASP A 63 -8.906 -10.412 -13.119 1.00 0.00 N ATOM 456 CA ASP A 63 -9.634 -11.583 -12.663 1.00 0.00 C ATOM 457 C ASP A 63 -10.468 -12.143 -13.817 1.00 0.00 C ATOM 458 O ASP A 63 -10.529 -11.544 -14.891 1.00 0.00 O ATOM 459 CB ASP A 63 -10.587 -11.228 -11.520 1.00 0.00 C ATOM 460 CG ASP A 63 -10.125 -10.075 -10.627 1.00 0.00 C ATOM 461 OD1 ASP A 63 -9.079 -10.322 -9.915 1.00 0.00 O ATOM 462 OD2 ASP A 63 -10.733 -8.994 -10.614 1.00 0.00 O ATOM 0 H ASP A 63 -9.435 -9.541 -13.085 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.907 -12.316 -12.313 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.559 -10.973 -11.943 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.732 -12.113 -10.900 1.00 0.00 H new ATOM 463 N CYS A 64 -11.088 -13.285 -13.558 1.00 0.00 N ATOM 464 CA CYS A 64 -11.931 -13.920 -14.556 1.00 0.00 C ATOM 465 C CYS A 64 -13.160 -14.499 -13.850 1.00 0.00 C ATOM 466 O CYS A 64 -13.187 -15.682 -13.515 1.00 0.00 O ATOM 467 CB CYS A 64 -11.169 -14.989 -15.343 1.00 0.00 C ATOM 468 SG CYS A 64 -12.169 -15.882 -16.590 1.00 0.00 S ATOM 0 H CYS A 64 -11.023 -13.786 -12.672 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.250 -13.180 -15.290 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.324 -14.518 -15.845 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.758 -15.714 -14.640 1.00 0.00 H new ATOM 469 N PRO A 65 -14.170 -13.614 -13.637 1.00 0.00 N ATOM 470 CA PRO A 65 -15.352 -13.995 -12.883 1.00 0.00 C ATOM 471 C PRO A 65 -16.267 -14.894 -13.716 1.00 0.00 C ATOM 472 O PRO A 65 -16.006 -15.131 -14.895 1.00 0.00 O ATOM 473 CB PRO A 65 -16.007 -12.682 -12.489 1.00 0.00 C ATOM 474 CG PRO A 65 -15.432 -11.632 -13.424 1.00 0.00 C ATOM 475 CD PRO A 65 -14.215 -12.232 -14.108 1.00 0.00 C ATOM 0 HA PRO A 65 -15.115 -14.587 -11.999 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.091 -12.741 -12.588 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.795 -12.437 -11.448 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.175 -11.331 -14.163 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.154 -10.737 -12.868 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.308 -12.186 -15.193 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.305 -11.693 -13.843 1.00 0.00 H new ATOM 476 N ARG A 66 -17.322 -15.372 -13.071 1.00 0.00 N ATOM 477 CA ARG A 66 -18.340 -16.140 -13.766 1.00 0.00 C ATOM 478 C ARG A 66 -19.273 -15.207 -14.542 1.00 0.00 C ATOM 479 O ARG A 66 -19.405 -14.033 -14.201 1.00 0.00 O ATOM 480 CB ARG A 66 -19.165 -16.976 -12.785 1.00 0.00 C ATOM 481 CG ARG A 66 -18.261 -17.700 -11.786 1.00 0.00 C ATOM 482 CD ARG A 66 -18.930 -18.973 -11.263 1.00 0.00 C ATOM 483 NE ARG A 66 -18.320 -19.374 -9.976 1.00 0.00 N ATOM 484 CZ ARG A 66 -18.766 -20.382 -9.214 1.00 0.00 C ATOM 485 NH1 ARG A 66 -19.794 -21.133 -9.633 1.00 0.00 N ATOM 486 NH2 ARG A 66 -18.185 -20.638 -8.035 1.00 0.00 N ATOM 0 H ARG A 66 -17.493 -15.242 -12.074 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.833 -16.811 -14.460 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.862 -16.332 -12.249 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.762 -17.704 -13.335 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.314 -17.952 -12.264 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.031 -17.037 -10.952 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.999 -18.804 -11.131 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.822 -19.776 -11.992 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.509 -18.850 -9.648 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.236 -20.937 -10.531 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -20.134 -21.901 -9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.403 -20.066 -7.717 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.525 -21.405 -7.455 1.00 0.00 H new ATOM 487 N TRP A 67 -19.896 -15.766 -15.569 1.00 0.00 N ATOM 488 CA TRP A 67 -20.867 -15.019 -16.350 1.00 0.00 C ATOM 489 C TRP A 67 -22.261 -15.353 -15.815 1.00 0.00 C ATOM 490 O TRP A 67 -22.831 -16.386 -16.160 1.00 0.00 O ATOM 491 CB TRP A 67 -20.713 -15.316 -17.843 1.00 0.00 C ATOM 492 CG TRP A 67 -20.834 -14.081 -18.739 1.00 0.00 C ATOM 493 CD1 TRP A 67 -19.916 -13.129 -18.959 1.00 0.00 C ATOM 494 CD2 TRP A 67 -21.979 -13.701 -19.530 1.00 0.00 C ATOM 495 NE1 TRP A 67 -20.384 -12.167 -19.831 1.00 0.00 N ATOM 496 CE2 TRP A 67 -21.679 -12.526 -20.189 1.00 0.00 C ATOM 497 CE3 TRP A 67 -23.227 -14.329 -19.683 1.00 0.00 C ATOM 498 CZ2 TRP A 67 -22.575 -11.878 -21.047 1.00 0.00 C ATOM 499 CZ3 TRP A 67 -24.113 -13.668 -20.544 1.00 0.00 C ATOM 500 CH2 TRP A 67 -23.825 -12.485 -21.214 1.00 0.00 C ATOM 0 H TRP A 67 -19.747 -16.727 -15.878 1.00 0.00 H new ATOM 0 HA TRP A 67 -20.702 -13.946 -16.247 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -19.742 -15.781 -18.012 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -21.470 -16.042 -18.139 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -18.934 -13.116 -18.510 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -19.874 -11.344 -20.153 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -23.483 -15.248 -19.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -22.316 -10.960 -21.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -25.087 -14.108 -20.698 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -24.563 -12.036 -21.861 1.00 0.00 H new ATOM 501 N ASN A 68 -22.770 -14.456 -14.981 1.00 0.00 N ATOM 502 CA ASN A 68 -24.102 -14.623 -14.426 1.00 0.00 C ATOM 503 C ASN A 68 -25.107 -14.799 -15.566 1.00 0.00 C ATOM 504 O ASN A 68 -25.198 -13.953 -16.454 1.00 0.00 O ATOM 505 CB ASN A 68 -24.517 -13.394 -13.615 1.00 0.00 C ATOM 506 CG ASN A 68 -23.724 -13.304 -12.310 1.00 0.00 C ATOM 507 OD1 ASN A 68 -22.671 -12.692 -12.234 1.00 0.00 O ATOM 508 ND2 ASN A 68 -24.286 -13.947 -11.290 1.00 0.00 N ATOM 0 H ASN A 68 -22.284 -13.612 -14.677 1.00 0.00 H new ATOM 0 HA ASN A 68 -24.090 -15.498 -13.776 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -24.355 -12.492 -14.206 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -25.583 -13.443 -13.394 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -23.834 -13.947 -10.376 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -25.169 -14.440 -11.422 1.00 0.00 H new ATOM 509 N ASP A 69 -25.836 -15.904 -15.503 1.00 0.00 N ATOM 510 CA ASP A 69 -26.850 -16.189 -16.505 1.00 0.00 C ATOM 511 C ASP A 69 -28.054 -16.848 -15.831 1.00 0.00 C ATOM 512 O ASP A 69 -28.773 -17.624 -16.459 1.00 0.00 O ATOM 513 CB ASP A 69 -26.318 -17.152 -17.569 1.00 0.00 C ATOM 514 CG ASP A 69 -27.168 -17.249 -18.837 1.00 0.00 C ATOM 515 OD1 ASP A 69 -27.201 -16.177 -19.553 1.00 0.00 O ATOM 516 OD2 ASP A 69 -27.766 -18.296 -19.125 1.00 0.00 O ATOM 0 H ASP A 69 -25.745 -16.612 -14.774 1.00 0.00 H new ATOM 0 HA ASP A 69 -27.131 -15.248 -16.978 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -25.311 -16.841 -17.848 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -26.235 -18.146 -17.129 1.00 0.00 H new ATOM 517 N LEU A 70 -28.307 -16.520 -14.531 1.00 0.00 N ATOM 518 CA LEU A 70 -29.415 -17.144 -13.784 1.00 0.00 C ATOM 519 C LEU A 70 -30.017 -16.185 -12.793 1.00 0.00 C ATOM 520 O LEU A 70 -31.089 -16.379 -12.223 1.00 0.00 O ATOM 521 CB LEU A 70 -28.965 -18.467 -13.133 1.00 0.00 C ATOM 522 CG LEU A 70 -27.664 -18.335 -12.319 1.00 0.00 C ATOM 523 CD1 LEU A 70 -27.916 -17.724 -10.934 1.00 0.00 C ATOM 524 CD2 LEU A 70 -26.995 -19.703 -12.171 1.00 0.00 C ATOM 525 OXT LEU A 70 -29.319 -15.074 -12.530 1.00 0.00 O ATOM 0 H LEU A 70 -27.765 -15.840 -13.997 1.00 0.00 H new ATOM 0 HA LEU A 70 -30.206 -17.393 -14.491 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -29.758 -18.831 -12.480 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -28.824 -19.217 -13.911 1.00 0.00 H new ATOM 0 HG LEU A 70 -27.002 -17.662 -12.864 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -26.973 -17.648 -10.393 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -28.350 -16.730 -11.048 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -28.605 -18.359 -10.376 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -26.076 -19.598 -11.594 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -27.671 -20.385 -11.656 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -26.760 -20.102 -13.158 1.00 0.00 H new TER 526 LEU A 70