USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 721 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 23 CYS SG : rot 180:sc= -0.405 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 32:sc= 0.195 USER MOD Single : A 6 SER OG : rot 45:sc= 0.97 USER MOD Single : A 10 GLN : amide:sc= -0.0556 X(o=-0.056,f=-0.15) USER MOD Single : A 11 CYS SG : rot -150:sc= -1.7 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.6) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 46:sc= -0.224 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00282 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 27 ASN : amide:sc= -0.89 X(o=-0.89,f=-0.92) USER MOD Single : A 33 SER OG : rot 126:sc= 1.09 USER MOD Single : A 34 ASN :FLIP amide:sc= -0.246 F(o=-1.6,f=-0.25) USER MOD Single : A 36 THR OG1 : rot -130:sc= -0.276 USER MOD Single : A 39 THR OG1 : rot 94:sc= 0.611 USER MOD Single : A 41 TYR OH : rot 15:sc= -1.98 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 175:sc= 0 (180deg=-0.0221) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 55 CYS SG : rot -160:sc= -0.455 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 1:sc= 0.646 USER MOD Single : A 62 SER OG : rot 34:sc= 0.0404 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -80:sc= -0.903 USER MOD Single : A 72 THR OG1 : rot 63:sc= 0.802 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= 0.787 USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0177 USER MOD Single : A 76 CYS SG : rot 5:sc= -0.879 USER MOD Single : A 79 GLN : amide:sc= 0.627 K(o=0.63,f=-0.33) USER MOD Single : A 82 SER OG : rot -150:sc= -0.241 USER MOD Single : A 90 SER OG : rot -84:sc= 0.043 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.774 USER MOD Single : A 97 THR OG1 : rot -164:sc= 0.243 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.887 -27.986 15.716 1.00 0.00 N ATOM 2 CA GLY A 1 -14.971 -27.254 15.086 1.00 0.00 C ATOM 3 C GLY A 1 -14.618 -26.786 13.688 1.00 0.00 C ATOM 4 O GLY A 1 -13.663 -26.032 13.500 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.177 -28.284 16.669 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.657 -28.825 15.146 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.049 -27.374 15.785 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.856 -27.889 15.041 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.228 -26.391 15.701 1.00 0.00 H new ATOM 8 N SER A 2 -15.390 -27.234 12.703 1.00 0.00 N ATOM 9 CA SER A 2 -15.150 -26.861 11.314 1.00 0.00 C ATOM 10 C SER A 2 -15.707 -25.471 11.021 1.00 0.00 C ATOM 11 O SER A 2 -16.872 -25.322 10.651 1.00 0.00 O ATOM 12 CB SER A 2 -15.785 -27.886 10.372 1.00 0.00 C ATOM 13 OG SER A 2 -15.048 -29.096 10.362 1.00 0.00 O ATOM 0 H SER A 2 -16.187 -27.856 12.841 1.00 0.00 H new ATOM 0 HA SER A 2 -14.073 -26.844 11.149 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.811 -28.084 10.683 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.832 -27.477 9.363 1.00 0.00 H new ATOM 0 HG SER A 2 -15.476 -29.734 9.754 1.00 0.00 H new ATOM 19 N SER A 3 -14.866 -24.455 11.190 1.00 0.00 N ATOM 20 CA SER A 3 -15.275 -23.077 10.949 1.00 0.00 C ATOM 21 C SER A 3 -15.007 -22.677 9.501 1.00 0.00 C ATOM 22 O SER A 3 -13.898 -22.276 9.150 1.00 0.00 O ATOM 23 CB SER A 3 -14.534 -22.130 11.896 1.00 0.00 C ATOM 24 OG SER A 3 -15.178 -20.870 11.963 1.00 0.00 O ATOM 0 H SER A 3 -13.898 -24.561 11.493 1.00 0.00 H new ATOM 0 HA SER A 3 -16.346 -23.003 11.137 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.486 -22.571 12.892 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.507 -21.999 11.555 1.00 0.00 H new ATOM 0 HG SER A 3 -14.687 -20.284 12.575 1.00 0.00 H new ATOM 30 N GLY A 4 -16.033 -22.791 8.663 1.00 0.00 N ATOM 31 CA GLY A 4 -15.890 -22.438 7.262 1.00 0.00 C ATOM 32 C GLY A 4 -15.209 -21.097 7.069 1.00 0.00 C ATOM 33 O GLY A 4 -15.492 -20.140 7.790 1.00 0.00 O ATOM 0 H GLY A 4 -16.961 -23.121 8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.315 -23.211 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.874 -22.413 6.794 1.00 0.00 H new ATOM 37 N SER A 5 -14.309 -21.027 6.093 1.00 0.00 N ATOM 38 CA SER A 5 -13.582 -19.795 5.811 1.00 0.00 C ATOM 39 C SER A 5 -14.456 -18.814 5.037 1.00 0.00 C ATOM 40 O SER A 5 -14.971 -19.134 3.966 1.00 0.00 O ATOM 41 CB SER A 5 -12.310 -20.099 5.016 1.00 0.00 C ATOM 42 OG SER A 5 -12.613 -20.785 3.812 1.00 0.00 O ATOM 0 H SER A 5 -14.066 -21.809 5.485 1.00 0.00 H new ATOM 0 HA SER A 5 -13.307 -19.338 6.762 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.789 -19.169 4.787 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.634 -20.702 5.622 1.00 0.00 H new ATOM 0 HG SER A 5 -13.492 -20.499 3.485 1.00 0.00 H new ATOM 48 N SER A 6 -14.621 -17.615 5.588 1.00 0.00 N ATOM 49 CA SER A 6 -15.436 -16.587 4.954 1.00 0.00 C ATOM 50 C SER A 6 -14.602 -15.348 4.641 1.00 0.00 C ATOM 51 O SER A 6 -14.485 -14.441 5.463 1.00 0.00 O ATOM 52 CB SER A 6 -16.612 -16.209 5.856 1.00 0.00 C ATOM 53 OG SER A 6 -16.159 -15.665 7.084 1.00 0.00 O ATOM 0 H SER A 6 -14.200 -17.332 6.473 1.00 0.00 H new ATOM 0 HA SER A 6 -15.821 -16.991 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.247 -15.485 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.224 -17.090 6.049 1.00 0.00 H new ATOM 0 HG SER A 6 -15.446 -15.016 6.911 1.00 0.00 H new ATOM 59 N GLY A 7 -14.022 -15.319 3.444 1.00 0.00 N ATOM 60 CA GLY A 7 -13.207 -14.188 3.043 1.00 0.00 C ATOM 61 C GLY A 7 -12.153 -14.567 2.021 1.00 0.00 C ATOM 62 O GLY A 7 -11.835 -15.742 1.833 1.00 0.00 O ATOM 0 H GLY A 7 -14.102 -16.058 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.849 -13.411 2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.721 -13.764 3.922 1.00 0.00 H new ATOM 66 N PRO A 8 -11.593 -13.556 1.339 1.00 0.00 N ATOM 67 CA PRO A 8 -10.561 -13.765 0.319 1.00 0.00 C ATOM 68 C PRO A 8 -9.237 -14.224 0.920 1.00 0.00 C ATOM 69 O PRO A 8 -9.135 -14.448 2.125 1.00 0.00 O ATOM 70 CB PRO A 8 -10.409 -12.383 -0.319 1.00 0.00 C ATOM 71 CG PRO A 8 -10.846 -11.428 0.737 1.00 0.00 C ATOM 72 CD PRO A 8 -11.924 -12.132 1.513 1.00 0.00 C ATOM 0 HA PRO A 8 -10.838 -14.547 -0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.378 -12.197 -0.619 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.023 -12.291 -1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.013 -11.156 1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.222 -10.505 0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.917 -11.843 2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.916 -11.899 1.125 1.00 0.00 H new ATOM 80 N ASP A 9 -8.224 -14.361 0.070 1.00 0.00 N ATOM 81 CA ASP A 9 -6.905 -14.792 0.517 1.00 0.00 C ATOM 82 C ASP A 9 -6.035 -13.591 0.881 1.00 0.00 C ATOM 83 O ASP A 9 -6.316 -12.465 0.473 1.00 0.00 O ATOM 84 CB ASP A 9 -6.220 -15.622 -0.570 1.00 0.00 C ATOM 85 CG ASP A 9 -5.234 -16.622 0.001 1.00 0.00 C ATOM 86 OD1 ASP A 9 -5.682 -17.668 0.517 1.00 0.00 O ATOM 87 OD2 ASP A 9 -4.015 -16.360 -0.067 1.00 0.00 O ATOM 0 H ASP A 9 -8.292 -14.180 -0.931 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.034 -15.408 1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.976 -16.152 -1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.700 -14.956 -1.258 1.00 0.00 H new ATOM 92 N GLN A 10 -4.981 -13.841 1.651 1.00 0.00 N ATOM 93 CA GLN A 10 -4.074 -12.781 2.070 1.00 0.00 C ATOM 94 C GLN A 10 -3.651 -11.925 0.881 1.00 0.00 C ATOM 95 O GLN A 10 -3.579 -12.408 -0.250 1.00 0.00 O ATOM 96 CB GLN A 10 -2.840 -13.376 2.750 1.00 0.00 C ATOM 97 CG GLN A 10 -1.948 -12.337 3.412 1.00 0.00 C ATOM 98 CD GLN A 10 -0.497 -12.768 3.473 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.194 -13.945 3.668 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.412 -11.814 3.307 1.00 0.00 N ATOM 0 H GLN A 10 -4.735 -14.768 1.997 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.602 -12.146 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.162 -14.097 3.501 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.257 -13.925 2.010 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.021 -11.398 2.863 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.309 -12.145 4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.117 -10.851 3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.405 -12.045 3.339 1.00 0.00 H new ATOM 109 N CYS A 11 -3.371 -10.653 1.143 1.00 0.00 N ATOM 110 CA CYS A 11 -2.955 -9.728 0.095 1.00 0.00 C ATOM 111 C CYS A 11 -1.435 -9.683 -0.018 1.00 0.00 C ATOM 112 O CYS A 11 -0.724 -9.755 0.984 1.00 0.00 O ATOM 113 CB CYS A 11 -3.502 -8.328 0.375 1.00 0.00 C ATOM 114 SG CYS A 11 -5.215 -8.085 -0.149 1.00 0.00 S ATOM 0 H CYS A 11 -3.425 -10.238 2.073 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.360 -10.084 -0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.429 -8.128 1.444 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.872 -7.596 -0.130 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.397 -6.839 -0.472 1.00 0.00 H new ATOM 120 N LYS A 12 -0.942 -9.564 -1.246 1.00 0.00 N ATOM 121 CA LYS A 12 0.494 -9.507 -1.493 1.00 0.00 C ATOM 122 C LYS A 12 1.023 -8.088 -1.312 1.00 0.00 C ATOM 123 O LYS A 12 0.306 -7.104 -1.500 1.00 0.00 O ATOM 124 CB LYS A 12 0.810 -10.005 -2.905 1.00 0.00 C ATOM 125 CG LYS A 12 0.708 -11.512 -3.056 1.00 0.00 C ATOM 126 CD LYS A 12 1.948 -12.211 -2.525 1.00 0.00 C ATOM 127 CE LYS A 12 1.913 -13.704 -2.809 1.00 0.00 C ATOM 128 NZ LYS A 12 3.227 -14.352 -2.542 1.00 0.00 N ATOM 0 H LYS A 12 -1.517 -9.505 -2.087 1.00 0.00 H new ATOM 0 HA LYS A 12 0.987 -10.154 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.127 -9.531 -3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.817 -9.689 -3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.171 -11.873 -2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.569 -11.765 -4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.836 -11.774 -2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.027 -12.046 -1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.146 -14.173 -2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.632 -13.869 -3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.161 -15.369 -2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.955 -13.923 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.484 -14.217 -1.543 1.00 0.00 H new ATOM 142 N PRO A 13 2.307 -7.976 -0.940 1.00 0.00 N ATOM 143 CA PRO A 13 2.959 -6.681 -0.728 1.00 0.00 C ATOM 144 C PRO A 13 3.168 -5.917 -2.031 1.00 0.00 C ATOM 145 O PRO A 13 3.673 -6.452 -3.019 1.00 0.00 O ATOM 146 CB PRO A 13 4.307 -7.060 -0.109 1.00 0.00 C ATOM 147 CG PRO A 13 4.567 -8.447 -0.588 1.00 0.00 C ATOM 148 CD PRO A 13 3.219 -9.106 -0.699 1.00 0.00 C ATOM 0 HA PRO A 13 2.358 -6.020 -0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.095 -6.377 -0.427 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.269 -7.018 0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.078 -8.438 -1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.209 -8.986 0.108 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.190 -9.827 -1.516 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.959 -9.645 0.212 1.00 0.00 H new ATOM 156 N PRO A 14 2.772 -4.635 -2.037 1.00 0.00 N ATOM 157 CA PRO A 14 2.907 -3.771 -3.213 1.00 0.00 C ATOM 158 C PRO A 14 4.360 -3.424 -3.514 1.00 0.00 C ATOM 159 O PRO A 14 5.234 -3.585 -2.663 1.00 0.00 O ATOM 160 CB PRO A 14 2.128 -2.513 -2.819 1.00 0.00 C ATOM 161 CG PRO A 14 2.168 -2.493 -1.330 1.00 0.00 C ATOM 162 CD PRO A 14 2.161 -3.932 -0.896 1.00 0.00 C ATOM 0 HA PRO A 14 2.537 -4.253 -4.118 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.585 -1.617 -3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.103 -2.551 -3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.061 -1.981 -0.971 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.309 -1.959 -0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.734 -4.078 0.020 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.150 -4.288 -0.700 1.00 0.00 H new ATOM 170 N GLN A 15 4.611 -2.948 -4.729 1.00 0.00 N ATOM 171 CA GLN A 15 5.960 -2.579 -5.141 1.00 0.00 C ATOM 172 C GLN A 15 6.168 -1.072 -5.040 1.00 0.00 C ATOM 173 O GLN A 15 5.505 -0.295 -5.729 1.00 0.00 O ATOM 174 CB GLN A 15 6.224 -3.047 -6.574 1.00 0.00 C ATOM 175 CG GLN A 15 7.554 -2.570 -7.135 1.00 0.00 C ATOM 176 CD GLN A 15 8.739 -3.076 -6.335 1.00 0.00 C ATOM 177 OE1 GLN A 15 8.617 -4.018 -5.552 1.00 0.00 O ATOM 178 NE2 GLN A 15 9.894 -2.451 -6.529 1.00 0.00 N ATOM 0 H GLN A 15 3.898 -2.809 -5.445 1.00 0.00 H new ATOM 0 HA GLN A 15 6.664 -3.070 -4.470 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.197 -4.136 -6.602 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.419 -2.691 -7.217 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.649 -2.903 -8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.568 -1.480 -7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.949 -1.675 -7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.726 -2.747 -6.019 1.00 0.00 H new ATOM 187 N VAL A 16 7.092 -0.664 -4.175 1.00 0.00 N ATOM 188 CA VAL A 16 7.387 0.752 -3.983 1.00 0.00 C ATOM 189 C VAL A 16 8.475 1.220 -4.942 1.00 0.00 C ATOM 190 O VAL A 16 9.455 0.514 -5.180 1.00 0.00 O ATOM 191 CB VAL A 16 7.832 1.041 -2.537 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.643 0.978 -1.590 1.00 0.00 C ATOM 193 CG2 VAL A 16 8.917 0.064 -2.109 1.00 0.00 C ATOM 0 H VAL A 16 7.649 -1.293 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 16 6.467 1.299 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 16 8.245 2.049 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.976 1.185 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.902 1.720 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.198 -0.016 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.220 0.282 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.532 -0.954 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.777 0.163 -2.771 1.00 0.00 H new ATOM 203 N THR A 17 8.297 2.418 -5.490 1.00 0.00 N ATOM 204 CA THR A 17 9.263 2.982 -6.424 1.00 0.00 C ATOM 205 C THR A 17 9.605 4.423 -6.058 1.00 0.00 C ATOM 206 O THR A 17 8.943 5.360 -6.506 1.00 0.00 O ATOM 207 CB THR A 17 8.736 2.944 -7.871 1.00 0.00 C ATOM 208 OG1 THR A 17 8.484 1.590 -8.264 1.00 0.00 O ATOM 209 CG2 THR A 17 9.734 3.578 -8.828 1.00 0.00 C ATOM 0 H THR A 17 7.492 3.016 -5.303 1.00 0.00 H new ATOM 0 HA THR A 17 10.162 2.369 -6.357 1.00 0.00 H new ATOM 0 HB THR A 17 7.807 3.513 -7.911 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.148 1.574 -9.184 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.340 3.539 -9.843 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.902 4.617 -8.543 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.677 3.033 -8.784 1.00 0.00 H new ATOM 217 N CYS A 18 10.642 4.592 -5.246 1.00 0.00 N ATOM 218 CA CYS A 18 11.071 5.919 -4.820 1.00 0.00 C ATOM 219 C CYS A 18 11.347 6.813 -6.024 1.00 0.00 C ATOM 220 O CYS A 18 12.492 6.958 -6.453 1.00 0.00 O ATOM 221 CB CYS A 18 12.323 5.817 -3.948 1.00 0.00 C ATOM 222 SG CYS A 18 13.723 5.006 -4.755 1.00 0.00 S ATOM 0 H CYS A 18 11.201 3.827 -4.869 1.00 0.00 H new ATOM 0 HA CYS A 18 10.266 6.365 -4.236 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.624 6.820 -3.645 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.075 5.270 -3.038 1.00 0.00 H new ATOM 0 HG CYS A 18 13.859 5.473 -5.960 1.00 0.00 H new ATOM 228 N ARG A 19 10.290 7.409 -6.567 1.00 0.00 N ATOM 229 CA ARG A 19 10.418 8.287 -7.724 1.00 0.00 C ATOM 230 C ARG A 19 11.550 9.290 -7.522 1.00 0.00 C ATOM 231 O ARG A 19 12.338 9.543 -8.432 1.00 0.00 O ATOM 232 CB ARG A 19 9.104 9.028 -7.976 1.00 0.00 C ATOM 233 CG ARG A 19 8.039 8.170 -8.642 1.00 0.00 C ATOM 234 CD ARG A 19 8.190 8.169 -10.155 1.00 0.00 C ATOM 235 NE ARG A 19 9.157 7.173 -10.608 1.00 0.00 N ATOM 236 CZ ARG A 19 9.647 7.132 -11.842 1.00 0.00 C ATOM 237 NH1 ARG A 19 9.263 8.028 -12.741 1.00 0.00 N ATOM 238 NH2 ARG A 19 10.524 6.196 -12.178 1.00 0.00 N ATOM 0 H ARG A 19 9.336 7.300 -6.224 1.00 0.00 H new ATOM 0 HA ARG A 19 10.652 7.671 -8.592 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.718 9.399 -7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.302 9.898 -8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.107 7.148 -8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.050 8.543 -8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.222 7.970 -10.616 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.505 9.158 -10.488 1.00 0.00 H new ATOM 0 HE ARG A 19 9.474 6.470 -9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.590 8.751 -12.486 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.641 7.995 -13.688 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.823 5.506 -11.489 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.899 6.166 -13.126 1.00 0.00 H new ATOM 252 N SER A 20 11.622 9.860 -6.323 1.00 0.00 N ATOM 253 CA SER A 20 12.655 10.838 -6.002 1.00 0.00 C ATOM 254 C SER A 20 12.804 10.996 -4.493 1.00 0.00 C ATOM 255 O SER A 20 12.104 10.346 -3.718 1.00 0.00 O ATOM 256 CB SER A 20 12.320 12.189 -6.637 1.00 0.00 C ATOM 257 OG SER A 20 13.494 12.947 -6.876 1.00 0.00 O ATOM 0 H SER A 20 10.977 9.661 -5.558 1.00 0.00 H new ATOM 0 HA SER A 20 13.601 10.478 -6.406 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.788 12.031 -7.575 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.651 12.746 -5.981 1.00 0.00 H new ATOM 0 HG SER A 20 13.252 13.805 -7.284 1.00 0.00 H new ATOM 263 N ALA A 21 13.724 11.865 -4.083 1.00 0.00 N ATOM 264 CA ALA A 21 13.965 12.110 -2.667 1.00 0.00 C ATOM 265 C ALA A 21 12.654 12.297 -1.911 1.00 0.00 C ATOM 266 O ALA A 21 12.452 11.718 -0.843 1.00 0.00 O ATOM 267 CB ALA A 21 14.858 13.328 -2.487 1.00 0.00 C ATOM 0 H ALA A 21 14.314 12.410 -4.712 1.00 0.00 H new ATOM 0 HA ALA A 21 14.471 11.237 -2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.030 13.499 -1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.812 13.157 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.373 14.202 -2.922 1.00 0.00 H new ATOM 273 N THR A 22 11.764 13.110 -2.472 1.00 0.00 N ATOM 274 CA THR A 22 10.473 13.375 -1.849 1.00 0.00 C ATOM 275 C THR A 22 9.329 12.866 -2.719 1.00 0.00 C ATOM 276 O THR A 22 8.245 13.451 -2.741 1.00 0.00 O ATOM 277 CB THR A 22 10.273 14.880 -1.589 1.00 0.00 C ATOM 278 OG1 THR A 22 10.208 15.588 -2.831 1.00 0.00 O ATOM 279 CG2 THR A 22 11.407 15.438 -0.741 1.00 0.00 C ATOM 0 H THR A 22 11.914 13.596 -3.356 1.00 0.00 H new ATOM 0 HA THR A 22 10.467 12.845 -0.897 1.00 0.00 H new ATOM 0 HB THR A 22 9.336 15.011 -1.047 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.079 16.544 -2.656 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.244 16.502 -0.570 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.436 14.917 0.216 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.354 15.295 -1.261 1.00 0.00 H new ATOM 287 N CYS A 23 9.576 11.773 -3.432 1.00 0.00 N ATOM 288 CA CYS A 23 8.564 11.184 -4.304 1.00 0.00 C ATOM 289 C CYS A 23 8.593 9.662 -4.219 1.00 0.00 C ATOM 290 O CYS A 23 9.661 9.051 -4.197 1.00 0.00 O ATOM 291 CB CYS A 23 8.787 11.630 -5.751 1.00 0.00 C ATOM 292 SG CYS A 23 8.872 13.424 -5.965 1.00 0.00 S ATOM 0 H CYS A 23 10.467 11.277 -3.424 1.00 0.00 H new ATOM 0 HA CYS A 23 7.586 11.530 -3.971 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.713 11.187 -6.118 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.979 11.239 -6.369 1.00 0.00 H new ATOM 0 HG CYS A 23 9.064 13.703 -7.220 1.00 0.00 H new ATOM 298 N ALA A 24 7.411 9.056 -4.167 1.00 0.00 N ATOM 299 CA ALA A 24 7.300 7.604 -4.084 1.00 0.00 C ATOM 300 C ALA A 24 6.029 7.112 -4.766 1.00 0.00 C ATOM 301 O ALA A 24 5.024 7.821 -4.813 1.00 0.00 O ATOM 302 CB ALA A 24 7.331 7.155 -2.630 1.00 0.00 C ATOM 0 H ALA A 24 6.517 9.547 -4.181 1.00 0.00 H new ATOM 0 HA ALA A 24 8.152 7.168 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.247 6.069 -2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.270 7.467 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.498 7.607 -2.092 1.00 0.00 H new ATOM 308 N GLN A 25 6.080 5.892 -5.292 1.00 0.00 N ATOM 309 CA GLN A 25 4.931 5.306 -5.972 1.00 0.00 C ATOM 310 C GLN A 25 4.702 3.869 -5.515 1.00 0.00 C ATOM 311 O GLN A 25 5.649 3.096 -5.363 1.00 0.00 O ATOM 312 CB GLN A 25 5.136 5.344 -7.488 1.00 0.00 C ATOM 313 CG GLN A 25 3.922 4.881 -8.278 1.00 0.00 C ATOM 314 CD GLN A 25 4.222 4.689 -9.751 1.00 0.00 C ATOM 315 OE1 GLN A 25 5.372 4.787 -10.180 1.00 0.00 O ATOM 316 NE2 GLN A 25 3.186 4.413 -10.535 1.00 0.00 N ATOM 0 H GLN A 25 6.904 5.291 -5.260 1.00 0.00 H new ATOM 0 HA GLN A 25 4.050 5.894 -5.716 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.387 6.362 -7.787 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.989 4.716 -7.747 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.558 3.942 -7.860 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.121 5.612 -8.167 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.250 4.341 -10.137 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.327 4.273 -11.536 1.00 0.00 H new ATOM 325 N VAL A 26 3.439 3.517 -5.294 1.00 0.00 N ATOM 326 CA VAL A 26 3.085 2.174 -4.854 1.00 0.00 C ATOM 327 C VAL A 26 2.240 1.457 -5.901 1.00 0.00 C ATOM 328 O VAL A 26 1.567 2.092 -6.710 1.00 0.00 O ATOM 329 CB VAL A 26 2.315 2.204 -3.520 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.169 0.800 -2.956 1.00 0.00 C ATOM 331 CG2 VAL A 26 3.010 3.120 -2.525 1.00 0.00 C ATOM 0 H VAL A 26 2.644 4.145 -5.413 1.00 0.00 H new ATOM 0 HA VAL A 26 4.020 1.631 -4.712 1.00 0.00 H new ATOM 0 HB VAL A 26 1.316 2.599 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.623 0.841 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.623 0.178 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.157 0.372 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.453 3.129 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.022 2.758 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.055 4.131 -2.931 1.00 0.00 H new ATOM 341 N ASN A 27 2.281 0.128 -5.877 1.00 0.00 N ATOM 342 CA ASN A 27 1.518 -0.676 -6.825 1.00 0.00 C ATOM 343 C ASN A 27 1.098 -2.002 -6.198 1.00 0.00 C ATOM 344 O ASN A 27 1.904 -2.684 -5.566 1.00 0.00 O ATOM 345 CB ASN A 27 2.344 -0.934 -8.087 1.00 0.00 C ATOM 346 CG ASN A 27 2.940 0.337 -8.659 1.00 0.00 C ATOM 347 OD1 ASN A 27 4.021 0.766 -8.254 1.00 0.00 O ATOM 348 ND2 ASN A 27 2.236 0.947 -9.604 1.00 0.00 N ATOM 0 H ASN A 27 2.834 -0.414 -5.212 1.00 0.00 H new ATOM 0 HA ASN A 27 0.619 -0.121 -7.094 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.146 -1.636 -7.856 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.714 -1.407 -8.840 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.586 1.807 -10.026 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.345 0.556 -9.909 1.00 0.00 H new ATOM 355 N TRP A 28 -0.169 -2.360 -6.380 1.00 0.00 N ATOM 356 CA TRP A 28 -0.696 -3.605 -5.833 1.00 0.00 C ATOM 357 C TRP A 28 -1.575 -4.319 -6.854 1.00 0.00 C ATOM 358 O TRP A 28 -1.740 -3.850 -7.980 1.00 0.00 O ATOM 359 CB TRP A 28 -1.496 -3.328 -4.558 1.00 0.00 C ATOM 360 CG TRP A 28 -2.666 -2.417 -4.778 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.933 -2.782 -5.133 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.676 -0.991 -4.658 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.730 -1.669 -5.241 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.982 -0.556 -4.954 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.708 -0.038 -4.328 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.344 0.788 -4.930 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -2.068 1.297 -4.305 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.376 1.699 -4.604 1.00 0.00 C ATOM 0 H TRP A 28 -0.849 -1.806 -6.901 1.00 0.00 H new ATOM 0 HA TRP A 28 0.147 -4.252 -5.591 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.852 -4.273 -4.148 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.836 -2.886 -3.812 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.260 -3.797 -5.304 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.718 -1.670 -5.494 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.697 -0.339 -4.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.352 1.100 -5.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.328 2.042 -4.052 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.626 2.749 -4.577 1.00 0.00 H new ATOM 379 N GLU A 29 -2.138 -5.455 -6.452 1.00 0.00 N ATOM 380 CA GLU A 29 -3.000 -6.233 -7.335 1.00 0.00 C ATOM 381 C GLU A 29 -3.964 -7.099 -6.529 1.00 0.00 C ATOM 382 O GLU A 29 -3.860 -7.190 -5.306 1.00 0.00 O ATOM 383 CB GLU A 29 -2.158 -7.114 -8.259 1.00 0.00 C ATOM 384 CG GLU A 29 -1.157 -7.989 -7.523 1.00 0.00 C ATOM 385 CD GLU A 29 0.178 -7.300 -7.317 1.00 0.00 C ATOM 386 OE1 GLU A 29 0.532 -6.433 -8.144 1.00 0.00 O ATOM 387 OE2 GLU A 29 0.870 -7.628 -6.330 1.00 0.00 O ATOM 0 H GLU A 29 -2.013 -5.856 -5.523 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.582 -5.537 -7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.822 -7.750 -8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.622 -6.478 -8.964 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.570 -8.271 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.003 -8.911 -8.085 1.00 0.00 H new ATOM 394 N VAL A 30 -4.904 -7.731 -7.224 1.00 0.00 N ATOM 395 CA VAL A 30 -5.888 -8.589 -6.574 1.00 0.00 C ATOM 396 C VAL A 30 -5.384 -10.025 -6.477 1.00 0.00 C ATOM 397 O VAL A 30 -4.997 -10.642 -7.469 1.00 0.00 O ATOM 398 CB VAL A 30 -7.230 -8.577 -7.330 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.203 -9.565 -6.705 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.818 -7.175 -7.346 1.00 0.00 C ATOM 0 H VAL A 30 -5.005 -7.665 -8.237 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.042 -8.192 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.051 -8.883 -8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.146 -9.543 -7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.781 -10.569 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.381 -9.292 -5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.766 -7.184 -7.884 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.985 -6.839 -6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.125 -6.496 -7.843 1.00 0.00 H new ATOM 410 N PRO A 31 -5.391 -10.573 -5.252 1.00 0.00 N ATOM 411 CA PRO A 31 -4.940 -11.944 -4.995 1.00 0.00 C ATOM 412 C PRO A 31 -5.892 -12.985 -5.573 1.00 0.00 C ATOM 413 O PRO A 31 -6.917 -12.644 -6.166 1.00 0.00 O ATOM 414 CB PRO A 31 -4.917 -12.029 -3.468 1.00 0.00 C ATOM 415 CG PRO A 31 -5.904 -11.010 -3.016 1.00 0.00 C ATOM 416 CD PRO A 31 -5.840 -9.895 -4.024 1.00 0.00 C ATOM 0 HA PRO A 31 -3.977 -12.151 -5.461 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.191 -13.026 -3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.922 -11.818 -3.075 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.907 -11.434 -2.966 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.661 -10.647 -2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.811 -9.419 -4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.143 -9.115 -3.717 1.00 0.00 H new ATOM 424 N LEU A 32 -5.547 -14.256 -5.398 1.00 0.00 N ATOM 425 CA LEU A 32 -6.373 -15.348 -5.902 1.00 0.00 C ATOM 426 C LEU A 32 -7.465 -15.713 -4.900 1.00 0.00 C ATOM 427 O LEU A 32 -7.304 -16.632 -4.098 1.00 0.00 O ATOM 428 CB LEU A 32 -5.506 -16.574 -6.195 1.00 0.00 C ATOM 429 CG LEU A 32 -6.173 -17.691 -6.999 1.00 0.00 C ATOM 430 CD1 LEU A 32 -5.126 -18.567 -7.668 1.00 0.00 C ATOM 431 CD2 LEU A 32 -7.076 -18.526 -6.103 1.00 0.00 C ATOM 0 H LEU A 32 -4.702 -14.556 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.848 -15.015 -6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.618 -16.245 -6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.167 -16.989 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.786 -17.236 -7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.620 -19.356 -8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.521 -17.960 -8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.486 -19.014 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.542 -19.316 -6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.484 -18.971 -5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.849 -17.890 -5.672 1.00 0.00 H new ATOM 443 N SER A 33 -8.576 -14.986 -4.955 1.00 0.00 N ATOM 444 CA SER A 33 -9.695 -15.230 -4.052 1.00 0.00 C ATOM 445 C SER A 33 -10.703 -16.185 -4.683 1.00 0.00 C ATOM 446 O SER A 33 -11.396 -15.833 -5.637 1.00 0.00 O ATOM 447 CB SER A 33 -10.382 -13.912 -3.689 1.00 0.00 C ATOM 448 OG SER A 33 -10.960 -13.307 -4.833 1.00 0.00 O ATOM 0 H SER A 33 -8.726 -14.223 -5.615 1.00 0.00 H new ATOM 0 HA SER A 33 -9.304 -15.689 -3.144 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.154 -14.094 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.658 -13.232 -3.241 1.00 0.00 H new ATOM 0 HG SER A 33 -11.909 -13.130 -4.665 1.00 0.00 H new ATOM 454 N ASN A 34 -10.779 -17.398 -4.144 1.00 0.00 N ATOM 455 CA ASN A 34 -11.701 -18.406 -4.653 1.00 0.00 C ATOM 456 C ASN A 34 -13.044 -18.327 -3.934 1.00 0.00 C ATOM 457 O ASN A 34 -13.532 -19.321 -3.397 1.00 0.00 O ATOM 458 CB ASN A 34 -11.103 -19.804 -4.489 1.00 0.00 C ATOM 459 CG ASN A 34 -10.182 -19.901 -3.288 1.00 0.00 C ATOM 460 OD1 ASN A 34 -10.647 -19.412 -2.145 1.00 0.00 O flip ATOM 461 ND2 ASN A 34 -9.066 -20.412 -3.388 1.00 0.00 N flip ATOM 0 H ASN A 34 -10.212 -17.706 -3.354 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.864 -18.211 -5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.909 -20.531 -4.386 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.550 -20.068 -5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.750 -20.775 -4.287 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.458 -20.472 -2.571 1.00 0.00 H new ATOM 468 N GLY A 35 -13.638 -17.137 -3.928 1.00 0.00 N ATOM 469 CA GLY A 35 -14.919 -16.951 -3.273 1.00 0.00 C ATOM 470 C GLY A 35 -15.460 -15.545 -3.446 1.00 0.00 C ATOM 471 O GLY A 35 -16.412 -15.324 -4.196 1.00 0.00 O ATOM 0 H GLY A 35 -13.255 -16.299 -4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.637 -17.665 -3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -14.815 -17.169 -2.210 1.00 0.00 H new ATOM 475 N THR A 36 -14.852 -14.589 -2.749 1.00 0.00 N ATOM 476 CA THR A 36 -15.280 -13.198 -2.827 1.00 0.00 C ATOM 477 C THR A 36 -14.308 -12.370 -3.661 1.00 0.00 C ATOM 478 O THR A 36 -13.126 -12.698 -3.760 1.00 0.00 O ATOM 479 CB THR A 36 -15.401 -12.569 -1.426 1.00 0.00 C ATOM 480 OG1 THR A 36 -14.210 -12.818 -0.672 1.00 0.00 O ATOM 481 CG2 THR A 36 -16.604 -13.131 -0.683 1.00 0.00 C ATOM 0 H THR A 36 -14.062 -14.753 -2.125 1.00 0.00 H new ATOM 0 HA THR A 36 -16.260 -13.194 -3.305 1.00 0.00 H new ATOM 0 HB THR A 36 -15.536 -11.494 -1.545 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.449 -13.179 0.207 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.669 -12.672 0.304 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.513 -12.914 -1.245 1.00 0.00 H new ATOM 0 HG23 THR A 36 -16.493 -14.210 -0.575 1.00 0.00 H new ATOM 489 N ASP A 37 -14.814 -11.296 -4.257 1.00 0.00 N ATOM 490 CA ASP A 37 -13.990 -10.420 -5.081 1.00 0.00 C ATOM 491 C ASP A 37 -13.772 -9.076 -4.395 1.00 0.00 C ATOM 492 O ASP A 37 -14.712 -8.469 -3.881 1.00 0.00 O ATOM 493 CB ASP A 37 -14.643 -10.208 -6.448 1.00 0.00 C ATOM 494 CG ASP A 37 -15.595 -9.028 -6.458 1.00 0.00 C ATOM 495 OD1 ASP A 37 -16.467 -8.962 -5.567 1.00 0.00 O ATOM 496 OD2 ASP A 37 -15.468 -8.171 -7.358 1.00 0.00 O ATOM 0 H ASP A 37 -15.791 -11.011 -4.185 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.021 -10.899 -5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -13.867 -10.052 -7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.184 -11.110 -6.733 1.00 0.00 H new ATOM 501 N VAL A 38 -12.525 -8.616 -4.388 1.00 0.00 N ATOM 502 CA VAL A 38 -12.182 -7.344 -3.765 1.00 0.00 C ATOM 503 C VAL A 38 -13.080 -6.222 -4.274 1.00 0.00 C ATOM 504 O VAL A 38 -13.271 -6.063 -5.479 1.00 0.00 O ATOM 505 CB VAL A 38 -10.711 -6.968 -4.027 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.339 -5.704 -3.267 1.00 0.00 C ATOM 507 CG2 VAL A 38 -9.791 -8.119 -3.647 1.00 0.00 C ATOM 0 H VAL A 38 -11.735 -9.106 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.332 -7.467 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.589 -6.772 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.297 -5.454 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.977 -4.882 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.477 -5.868 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.756 -7.836 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.914 -8.349 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.043 -8.997 -4.241 1.00 0.00 H new ATOM 517 N THR A 39 -13.631 -5.445 -3.346 1.00 0.00 N ATOM 518 CA THR A 39 -14.510 -4.338 -3.700 1.00 0.00 C ATOM 519 C THR A 39 -13.860 -2.996 -3.383 1.00 0.00 C ATOM 520 O THR A 39 -14.128 -1.995 -4.047 1.00 0.00 O ATOM 521 CB THR A 39 -15.857 -4.431 -2.959 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.638 -4.772 -1.585 1.00 0.00 O ATOM 523 CG2 THR A 39 -16.760 -5.470 -3.607 1.00 0.00 C ATOM 0 H THR A 39 -13.484 -5.563 -2.344 1.00 0.00 H new ATOM 0 HA THR A 39 -14.688 -4.407 -4.773 1.00 0.00 H new ATOM 0 HB THR A 39 -16.347 -3.459 -3.018 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.588 -3.953 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.705 -5.518 -3.067 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.948 -5.192 -4.644 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.274 -6.445 -3.575 1.00 0.00 H new ATOM 531 N GLU A 40 -13.005 -2.984 -2.365 1.00 0.00 N ATOM 532 CA GLU A 40 -12.317 -1.764 -1.961 1.00 0.00 C ATOM 533 C GLU A 40 -10.867 -2.055 -1.585 1.00 0.00 C ATOM 534 O GLU A 40 -10.465 -3.214 -1.469 1.00 0.00 O ATOM 535 CB GLU A 40 -13.040 -1.111 -0.781 1.00 0.00 C ATOM 536 CG GLU A 40 -14.167 -0.181 -1.197 1.00 0.00 C ATOM 537 CD GLU A 40 -15.343 -0.922 -1.805 1.00 0.00 C ATOM 538 OE1 GLU A 40 -15.700 -1.998 -1.282 1.00 0.00 O ATOM 539 OE2 GLU A 40 -15.905 -0.425 -2.803 1.00 0.00 O ATOM 0 H GLU A 40 -12.773 -3.805 -1.806 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.324 -1.077 -2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.444 -1.892 -0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.317 -0.550 -0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.508 0.382 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.788 0.544 -1.917 1.00 0.00 H new ATOM 546 N TYR A 41 -10.088 -0.997 -1.396 1.00 0.00 N ATOM 547 CA TYR A 41 -8.682 -1.138 -1.035 1.00 0.00 C ATOM 548 C TYR A 41 -8.237 -0.004 -0.117 1.00 0.00 C ATOM 549 O TYR A 41 -8.338 1.172 -0.471 1.00 0.00 O ATOM 550 CB TYR A 41 -7.811 -1.162 -2.293 1.00 0.00 C ATOM 551 CG TYR A 41 -7.599 -2.549 -2.857 1.00 0.00 C ATOM 552 CD1 TYR A 41 -6.920 -3.519 -2.131 1.00 0.00 C ATOM 553 CD2 TYR A 41 -8.079 -2.889 -4.116 1.00 0.00 C ATOM 554 CE1 TYR A 41 -6.723 -4.787 -2.643 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.889 -4.155 -4.635 1.00 0.00 C ATOM 556 CZ TYR A 41 -7.211 -5.100 -3.895 1.00 0.00 C ATOM 557 OH TYR A 41 -7.018 -6.362 -4.408 1.00 0.00 O ATOM 0 H TYR A 41 -10.406 -0.032 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.564 -2.080 -0.500 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.272 -0.535 -3.056 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.841 -0.721 -2.062 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.539 -3.278 -1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.610 -2.151 -4.699 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.190 -5.529 -2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.269 -4.403 -5.615 1.00 0.00 H new ATOM 0 HH TYR A 41 -6.742 -6.969 -3.689 1.00 0.00 H new ATOM 567 N ARG A 42 -7.745 -0.365 1.064 1.00 0.00 N ATOM 568 CA ARG A 42 -7.286 0.621 2.033 1.00 0.00 C ATOM 569 C ARG A 42 -5.768 0.576 2.178 1.00 0.00 C ATOM 570 O ARG A 42 -5.228 -0.257 2.907 1.00 0.00 O ATOM 571 CB ARG A 42 -7.946 0.378 3.392 1.00 0.00 C ATOM 572 CG ARG A 42 -9.298 1.058 3.542 1.00 0.00 C ATOM 573 CD ARG A 42 -9.890 0.819 4.923 1.00 0.00 C ATOM 574 NE ARG A 42 -11.287 1.236 4.998 1.00 0.00 N ATOM 575 CZ ARG A 42 -11.668 2.491 5.214 1.00 0.00 C ATOM 576 NH1 ARG A 42 -10.762 3.445 5.374 1.00 0.00 N ATOM 577 NH2 ARG A 42 -12.960 2.793 5.269 1.00 0.00 N ATOM 0 H ARG A 42 -7.654 -1.333 1.372 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.570 1.609 1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.070 -0.695 3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.280 0.734 4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.189 2.129 3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.982 0.682 2.781 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.814 -0.239 5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.308 1.364 5.666 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.010 0.526 4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.769 3.217 5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.058 4.407 5.540 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.660 2.062 5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.252 3.756 5.435 1.00 0.00 H new ATOM 591 N LEU A 43 -5.084 1.476 1.479 1.00 0.00 N ATOM 592 CA LEU A 43 -3.627 1.539 1.530 1.00 0.00 C ATOM 593 C LEU A 43 -3.162 2.625 2.494 1.00 0.00 C ATOM 594 O LEU A 43 -3.431 3.808 2.288 1.00 0.00 O ATOM 595 CB LEU A 43 -3.061 1.802 0.133 1.00 0.00 C ATOM 596 CG LEU A 43 -1.599 2.250 0.076 1.00 0.00 C ATOM 597 CD1 LEU A 43 -0.675 1.044 0.017 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.367 3.161 -1.120 1.00 0.00 C ATOM 0 H LEU A 43 -5.515 2.172 0.870 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.258 0.579 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.165 0.891 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.673 2.565 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.374 2.811 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.361 1.381 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.822 0.429 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.900 0.456 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.322 3.470 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.609 2.625 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.004 4.042 -1.036 1.00 0.00 H new ATOM 610 N GLU A 44 -2.459 2.214 3.546 1.00 0.00 N ATOM 611 CA GLU A 44 -1.955 3.154 4.541 1.00 0.00 C ATOM 612 C GLU A 44 -0.463 3.404 4.345 1.00 0.00 C ATOM 613 O GLU A 44 0.282 2.505 3.953 1.00 0.00 O ATOM 614 CB GLU A 44 -2.214 2.623 5.951 1.00 0.00 C ATOM 615 CG GLU A 44 -3.670 2.272 6.213 1.00 0.00 C ATOM 616 CD GLU A 44 -3.901 1.752 7.619 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.164 0.836 8.041 1.00 0.00 O ATOM 618 OE2 GLU A 44 -4.818 2.262 8.295 1.00 0.00 O ATOM 0 H GLU A 44 -2.226 1.238 3.731 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.484 4.099 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.601 1.737 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.893 3.371 6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.288 3.155 6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.994 1.520 5.494 1.00 0.00 H new ATOM 625 N TRP A 45 -0.034 4.630 4.619 1.00 0.00 N ATOM 626 CA TRP A 45 1.369 5.000 4.473 1.00 0.00 C ATOM 627 C TRP A 45 1.806 5.933 5.597 1.00 0.00 C ATOM 628 O TRP A 45 1.308 7.052 5.717 1.00 0.00 O ATOM 629 CB TRP A 45 1.604 5.669 3.118 1.00 0.00 C ATOM 630 CG TRP A 45 3.015 6.133 2.920 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.672 7.089 3.639 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.942 5.661 1.936 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.951 7.241 3.163 1.00 0.00 N ATOM 634 CE2 TRP A 45 5.142 6.375 2.119 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.876 4.703 0.921 1.00 0.00 C ATOM 636 CZ2 TRP A 45 6.264 6.162 1.322 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.990 4.492 0.131 1.00 0.00 C ATOM 638 CH2 TRP A 45 6.171 5.219 0.335 1.00 0.00 C ATOM 0 H TRP A 45 -0.638 5.385 4.944 1.00 0.00 H new ATOM 0 HA TRP A 45 1.966 4.090 4.529 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.346 4.967 2.325 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.932 6.522 3.021 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.248 7.645 4.462 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.646 7.893 3.528 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.971 4.138 0.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.175 6.721 1.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.950 3.754 -0.657 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.024 5.031 -0.300 1.00 0.00 H new ATOM 649 N GLY A 46 2.742 5.466 6.418 1.00 0.00 N ATOM 650 CA GLY A 46 3.230 6.274 7.522 1.00 0.00 C ATOM 651 C GLY A 46 4.703 6.047 7.797 1.00 0.00 C ATOM 652 O GLY A 46 5.157 4.907 7.885 1.00 0.00 O ATOM 0 H GLY A 46 3.171 4.544 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.063 7.328 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.656 6.043 8.419 1.00 0.00 H new ATOM 656 N GLY A 47 5.452 7.137 7.936 1.00 0.00 N ATOM 657 CA GLY A 47 6.875 7.031 8.200 1.00 0.00 C ATOM 658 C GLY A 47 7.215 5.837 9.071 1.00 0.00 C ATOM 659 O GLY A 47 8.110 5.058 8.746 1.00 0.00 O ATOM 0 H GLY A 47 5.098 8.092 7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.412 6.952 7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.220 7.943 8.688 1.00 0.00 H new ATOM 663 N VAL A 48 6.500 5.694 10.182 1.00 0.00 N ATOM 664 CA VAL A 48 6.731 4.588 11.103 1.00 0.00 C ATOM 665 C VAL A 48 5.648 3.523 10.966 1.00 0.00 C ATOM 666 O VAL A 48 4.460 3.811 11.105 1.00 0.00 O ATOM 667 CB VAL A 48 6.774 5.074 12.564 1.00 0.00 C ATOM 668 CG1 VAL A 48 6.569 3.910 13.521 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.090 5.782 12.850 1.00 0.00 C ATOM 0 H VAL A 48 5.755 6.331 10.466 1.00 0.00 H new ATOM 0 HA VAL A 48 7.697 4.156 10.842 1.00 0.00 H new ATOM 0 HB VAL A 48 5.962 5.786 12.716 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.603 4.273 14.548 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.600 3.449 13.331 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.357 3.172 13.371 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.104 6.119 13.886 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.918 5.093 12.681 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.192 6.642 12.188 1.00 0.00 H new ATOM 679 N GLU A 49 6.067 2.292 10.691 1.00 0.00 N ATOM 680 CA GLU A 49 5.133 1.185 10.536 1.00 0.00 C ATOM 681 C GLU A 49 4.199 1.085 11.739 1.00 0.00 C ATOM 682 O GLU A 49 3.068 0.617 11.624 1.00 0.00 O ATOM 683 CB GLU A 49 5.892 -0.132 10.355 1.00 0.00 C ATOM 684 CG GLU A 49 6.708 -0.535 11.573 1.00 0.00 C ATOM 685 CD GLU A 49 6.961 -2.028 11.637 1.00 0.00 C ATOM 686 OE1 GLU A 49 5.997 -2.801 11.454 1.00 0.00 O ATOM 687 OE2 GLU A 49 8.122 -2.425 11.869 1.00 0.00 O ATOM 0 H GLU A 49 7.047 2.037 10.571 1.00 0.00 H new ATOM 0 HA GLU A 49 4.532 1.375 9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.179 -0.924 10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.556 -0.044 9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.662 -0.009 11.557 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.186 -0.220 12.476 1.00 0.00 H new ATOM 694 N GLY A 50 4.684 1.531 12.894 1.00 0.00 N ATOM 695 CA GLY A 50 3.882 1.484 14.102 1.00 0.00 C ATOM 696 C GLY A 50 2.683 2.410 14.039 1.00 0.00 C ATOM 697 O GLY A 50 1.688 2.196 14.732 1.00 0.00 O ATOM 0 H GLY A 50 5.618 1.924 13.014 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.540 0.462 14.268 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.502 1.755 14.957 1.00 0.00 H new ATOM 701 N SER A 51 2.779 3.442 13.208 1.00 0.00 N ATOM 702 CA SER A 51 1.696 4.408 13.061 1.00 0.00 C ATOM 703 C SER A 51 1.464 4.746 11.592 1.00 0.00 C ATOM 704 O SER A 51 2.296 5.393 10.954 1.00 0.00 O ATOM 705 CB SER A 51 2.012 5.683 13.846 1.00 0.00 C ATOM 706 OG SER A 51 1.560 5.583 15.186 1.00 0.00 O ATOM 0 H SER A 51 3.595 3.631 12.626 1.00 0.00 H new ATOM 0 HA SER A 51 0.786 3.960 13.460 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.087 5.864 13.834 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.539 6.538 13.362 1.00 0.00 H new ATOM 0 HG SER A 51 1.775 6.410 15.666 1.00 0.00 H new ATOM 712 N MET A 52 0.330 4.303 11.061 1.00 0.00 N ATOM 713 CA MET A 52 -0.011 4.560 9.666 1.00 0.00 C ATOM 714 C MET A 52 -1.488 4.917 9.525 1.00 0.00 C ATOM 715 O MET A 52 -2.324 4.452 10.300 1.00 0.00 O ATOM 716 CB MET A 52 0.313 3.337 8.806 1.00 0.00 C ATOM 717 CG MET A 52 1.716 2.795 9.027 1.00 0.00 C ATOM 718 SD MET A 52 1.898 1.091 8.464 1.00 0.00 S ATOM 719 CE MET A 52 1.788 1.306 6.690 1.00 0.00 C ATOM 0 H MET A 52 -0.368 3.765 11.574 1.00 0.00 H new ATOM 0 HA MET A 52 0.585 5.406 9.322 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.410 2.550 9.021 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.195 3.600 7.755 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.432 3.426 8.501 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.960 2.851 10.088 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.972 0.352 6.196 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.793 1.665 6.428 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.533 2.032 6.365 1.00 0.00 H new ATOM 729 N GLN A 53 -1.800 5.744 8.533 1.00 0.00 N ATOM 730 CA GLN A 53 -3.176 6.163 8.292 1.00 0.00 C ATOM 731 C GLN A 53 -3.555 5.972 6.827 1.00 0.00 C ATOM 732 O GLN A 53 -2.692 5.754 5.977 1.00 0.00 O ATOM 733 CB GLN A 53 -3.362 7.627 8.693 1.00 0.00 C ATOM 734 CG GLN A 53 -4.442 8.343 7.898 1.00 0.00 C ATOM 735 CD GLN A 53 -4.499 9.828 8.195 1.00 0.00 C ATOM 736 OE1 GLN A 53 -4.285 10.255 9.330 1.00 0.00 O ATOM 737 NE2 GLN A 53 -4.786 10.626 7.173 1.00 0.00 N ATOM 0 H GLN A 53 -1.119 6.137 7.883 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.831 5.540 8.901 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.610 7.676 9.753 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.417 8.154 8.562 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.261 8.196 6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.410 7.894 8.122 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.956 10.230 6.249 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.836 11.635 7.312 1.00 0.00 H new ATOM 746 N ILE A 54 -4.850 6.055 6.541 1.00 0.00 N ATOM 747 CA ILE A 54 -5.342 5.892 5.179 1.00 0.00 C ATOM 748 C ILE A 54 -4.930 7.068 4.301 1.00 0.00 C ATOM 749 O ILE A 54 -5.209 8.224 4.622 1.00 0.00 O ATOM 750 CB ILE A 54 -6.876 5.756 5.147 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.326 4.600 6.043 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.360 5.547 3.720 1.00 0.00 C ATOM 753 CD1 ILE A 54 -6.958 3.236 5.499 1.00 0.00 C ATOM 0 H ILE A 54 -5.577 6.234 7.234 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.895 4.977 4.790 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.316 6.678 5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.880 4.721 7.030 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.407 4.651 6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.446 5.453 3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.067 6.400 3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.915 4.639 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.308 2.464 6.185 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.426 3.095 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.875 3.166 5.395 1.00 0.00 H new ATOM 765 N CYS A 55 -4.265 6.766 3.191 1.00 0.00 N ATOM 766 CA CYS A 55 -3.814 7.799 2.265 1.00 0.00 C ATOM 767 C CYS A 55 -4.678 7.817 1.008 1.00 0.00 C ATOM 768 O CYS A 55 -4.997 8.881 0.476 1.00 0.00 O ATOM 769 CB CYS A 55 -2.350 7.571 1.888 1.00 0.00 C ATOM 770 SG CYS A 55 -1.168 8.304 3.044 1.00 0.00 S ATOM 0 H CYS A 55 -4.026 5.815 2.911 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.908 8.764 2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.164 6.499 1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.173 7.983 0.894 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.014 8.436 2.459 1.00 0.00 H new ATOM 776 N TYR A 56 -5.053 6.632 0.538 1.00 0.00 N ATOM 777 CA TYR A 56 -5.876 6.511 -0.659 1.00 0.00 C ATOM 778 C TYR A 56 -6.890 5.379 -0.512 1.00 0.00 C ATOM 779 O TYR A 56 -6.596 4.342 0.085 1.00 0.00 O ATOM 780 CB TYR A 56 -4.997 6.266 -1.887 1.00 0.00 C ATOM 781 CG TYR A 56 -5.777 5.885 -3.125 1.00 0.00 C ATOM 782 CD1 TYR A 56 -6.104 4.560 -3.383 1.00 0.00 C ATOM 783 CD2 TYR A 56 -6.189 6.851 -4.035 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.816 4.207 -4.514 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.902 6.508 -5.167 1.00 0.00 C ATOM 786 CZ TYR A 56 -7.213 5.186 -5.403 1.00 0.00 C ATOM 787 OH TYR A 56 -7.923 4.839 -6.529 1.00 0.00 O ATOM 0 H TYR A 56 -4.800 5.742 0.968 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.419 7.447 -0.790 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.419 7.166 -2.095 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.283 5.474 -1.660 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.797 3.792 -2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.947 7.888 -3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.060 3.172 -4.701 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.214 7.272 -5.864 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.126 5.645 -7.049 1.00 0.00 H new ATOM 797 N CYS A 57 -8.083 5.588 -1.058 1.00 0.00 N ATOM 798 CA CYS A 57 -9.141 4.587 -0.988 1.00 0.00 C ATOM 799 C CYS A 57 -9.852 4.452 -2.330 1.00 0.00 C ATOM 800 O CYS A 57 -10.133 5.447 -2.998 1.00 0.00 O ATOM 801 CB CYS A 57 -10.148 4.954 0.102 1.00 0.00 C ATOM 802 SG CYS A 57 -11.497 6.015 -0.466 1.00 0.00 S ATOM 0 H CYS A 57 -8.341 6.441 -1.554 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.684 3.628 -0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.570 4.038 0.515 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.622 5.457 0.913 1.00 0.00 H new ATOM 0 HG CYS A 57 -11.355 6.255 -1.736 1.00 0.00 H new ATOM 808 N GLY A 58 -10.139 3.214 -2.722 1.00 0.00 N ATOM 809 CA GLY A 58 -10.813 2.972 -3.983 1.00 0.00 C ATOM 810 C GLY A 58 -10.372 1.678 -4.638 1.00 0.00 C ATOM 811 O GLY A 58 -9.397 1.050 -4.225 1.00 0.00 O ATOM 0 H GLY A 58 -9.916 2.374 -2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.890 2.942 -3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.618 3.803 -4.661 1.00 0.00 H new ATOM 815 N PRO A 59 -11.101 1.261 -5.684 1.00 0.00 N ATOM 816 CA PRO A 59 -10.798 0.029 -6.419 1.00 0.00 C ATOM 817 C PRO A 59 -9.513 0.140 -7.233 1.00 0.00 C ATOM 818 O PRO A 59 -9.007 -0.854 -7.749 1.00 0.00 O ATOM 819 CB PRO A 59 -12.005 -0.138 -7.345 1.00 0.00 C ATOM 820 CG PRO A 59 -12.537 1.242 -7.526 1.00 0.00 C ATOM 821 CD PRO A 59 -12.276 1.960 -6.231 1.00 0.00 C ATOM 0 HA PRO A 59 -10.637 -0.816 -5.749 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.714 -0.579 -8.299 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.754 -0.796 -6.905 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.043 1.745 -8.357 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.603 1.223 -7.753 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.074 3.019 -6.392 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.131 1.897 -5.557 1.00 0.00 H new ATOM 829 N GLY A 60 -8.992 1.359 -7.344 1.00 0.00 N ATOM 830 CA GLY A 60 -7.771 1.577 -8.097 1.00 0.00 C ATOM 831 C GLY A 60 -6.668 0.614 -7.705 1.00 0.00 C ATOM 832 O GLY A 60 -6.663 0.082 -6.594 1.00 0.00 O ATOM 0 H GLY A 60 -9.394 2.198 -6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.980 1.471 -9.161 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.429 2.600 -7.940 1.00 0.00 H new ATOM 836 N LEU A 61 -5.732 0.385 -8.620 1.00 0.00 N ATOM 837 CA LEU A 61 -4.619 -0.524 -8.365 1.00 0.00 C ATOM 838 C LEU A 61 -3.282 0.190 -8.540 1.00 0.00 C ATOM 839 O LEU A 61 -2.278 -0.428 -8.892 1.00 0.00 O ATOM 840 CB LEU A 61 -4.693 -1.729 -9.304 1.00 0.00 C ATOM 841 CG LEU A 61 -6.046 -2.437 -9.383 1.00 0.00 C ATOM 842 CD1 LEU A 61 -6.226 -3.097 -10.741 1.00 0.00 C ATOM 843 CD2 LEU A 61 -6.176 -3.464 -8.267 1.00 0.00 C ATOM 0 H LEU A 61 -5.721 0.816 -9.545 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.694 -0.870 -7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.418 -1.400 -10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.943 -2.455 -8.990 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.832 -1.692 -9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.195 -3.596 -10.778 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.178 -2.339 -11.523 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.435 -3.830 -10.897 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.145 -3.958 -8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.383 -4.205 -8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.094 -2.965 -7.302 1.00 0.00 H new ATOM 855 N SER A 62 -3.277 1.496 -8.289 1.00 0.00 N ATOM 856 CA SER A 62 -2.065 2.294 -8.419 1.00 0.00 C ATOM 857 C SER A 62 -2.256 3.677 -7.804 1.00 0.00 C ATOM 858 O SER A 62 -3.249 4.355 -8.072 1.00 0.00 O ATOM 859 CB SER A 62 -1.673 2.428 -9.892 1.00 0.00 C ATOM 860 OG SER A 62 -2.771 2.866 -10.674 1.00 0.00 O ATOM 0 H SER A 62 -4.099 2.023 -7.995 1.00 0.00 H new ATOM 0 HA SER A 62 -1.265 1.784 -7.882 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.848 3.134 -9.989 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.316 1.468 -10.265 1.00 0.00 H new ATOM 0 HG SER A 62 -3.328 3.474 -10.144 1.00 0.00 H new ATOM 866 N TYR A 63 -1.300 4.089 -6.980 1.00 0.00 N ATOM 867 CA TYR A 63 -1.364 5.391 -6.326 1.00 0.00 C ATOM 868 C TYR A 63 0.029 5.997 -6.183 1.00 0.00 C ATOM 869 O TYR A 63 0.941 5.367 -5.648 1.00 0.00 O ATOM 870 CB TYR A 63 -2.018 5.260 -4.949 1.00 0.00 C ATOM 871 CG TYR A 63 -2.111 6.568 -4.197 1.00 0.00 C ATOM 872 CD1 TYR A 63 -3.062 7.523 -4.540 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.250 6.851 -3.145 1.00 0.00 C ATOM 874 CE1 TYR A 63 -3.150 8.720 -3.856 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.331 8.045 -2.454 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.283 8.976 -2.813 1.00 0.00 C ATOM 877 OH TYR A 63 -2.368 10.167 -2.129 1.00 0.00 O ATOM 0 H TYR A 63 -0.471 3.541 -6.749 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.967 6.053 -6.947 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.020 4.848 -5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.449 4.547 -4.352 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.743 7.326 -5.355 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.503 6.124 -2.861 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.893 9.452 -4.136 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.653 8.248 -1.638 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.687 10.189 -1.424 1.00 0.00 H new ATOM 887 N GLU A 64 0.185 7.226 -6.666 1.00 0.00 N ATOM 888 CA GLU A 64 1.466 7.919 -6.593 1.00 0.00 C ATOM 889 C GLU A 64 1.538 8.798 -5.347 1.00 0.00 C ATOM 890 O GLU A 64 0.695 9.669 -5.140 1.00 0.00 O ATOM 891 CB GLU A 64 1.683 8.770 -7.845 1.00 0.00 C ATOM 892 CG GLU A 64 3.070 9.384 -7.931 1.00 0.00 C ATOM 893 CD GLU A 64 3.534 9.579 -9.361 1.00 0.00 C ATOM 894 OE1 GLU A 64 4.007 8.597 -9.971 1.00 0.00 O ATOM 895 OE2 GLU A 64 3.424 10.715 -9.871 1.00 0.00 O ATOM 0 H GLU A 64 -0.560 7.762 -7.112 1.00 0.00 H new ATOM 0 HA GLU A 64 2.254 7.168 -6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.513 8.153 -8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.940 9.567 -7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.070 10.346 -7.419 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.780 8.744 -7.407 1.00 0.00 H new ATOM 902 N ILE A 65 2.553 8.562 -4.522 1.00 0.00 N ATOM 903 CA ILE A 65 2.737 9.332 -3.298 1.00 0.00 C ATOM 904 C ILE A 65 3.830 10.380 -3.467 1.00 0.00 C ATOM 905 O ILE A 65 4.870 10.117 -4.074 1.00 0.00 O ATOM 906 CB ILE A 65 3.093 8.421 -2.108 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.857 7.650 -1.639 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.674 9.244 -0.967 1.00 0.00 C ATOM 909 CD1 ILE A 65 2.185 6.408 -0.843 1.00 0.00 C ATOM 0 H ILE A 65 3.260 7.844 -4.679 1.00 0.00 H new ATOM 0 HA ILE A 65 1.789 9.830 -3.093 1.00 0.00 H new ATOM 0 HB ILE A 65 3.845 7.702 -2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.238 8.309 -1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.263 7.368 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.921 8.587 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.576 9.752 -1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.942 9.983 -0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.261 5.913 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.779 5.729 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.752 6.685 0.046 1.00 0.00 H new ATOM 921 N LYS A 66 3.592 11.570 -2.925 1.00 0.00 N ATOM 922 CA LYS A 66 4.557 12.658 -3.013 1.00 0.00 C ATOM 923 C LYS A 66 4.629 13.429 -1.698 1.00 0.00 C ATOM 924 O LYS A 66 3.919 13.115 -0.743 1.00 0.00 O ATOM 925 CB LYS A 66 4.185 13.608 -4.153 1.00 0.00 C ATOM 926 CG LYS A 66 4.617 13.113 -5.522 1.00 0.00 C ATOM 927 CD LYS A 66 4.612 14.235 -6.548 1.00 0.00 C ATOM 928 CE LYS A 66 4.328 13.710 -7.946 1.00 0.00 C ATOM 929 NZ LYS A 66 4.690 14.703 -8.996 1.00 0.00 N ATOM 0 H LYS A 66 2.738 11.805 -2.420 1.00 0.00 H new ATOM 0 HA LYS A 66 5.537 12.225 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.105 13.756 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.640 14.581 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.617 12.684 -5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.949 12.316 -5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.859 14.975 -6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.576 14.743 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.888 12.789 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.271 13.460 -8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.481 14.307 -9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.137 15.573 -8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.704 14.923 -8.931 1.00 0.00 H new ATOM 943 N GLY A 67 5.490 14.441 -1.656 1.00 0.00 N ATOM 944 CA GLY A 67 5.636 15.241 -0.454 1.00 0.00 C ATOM 945 C GLY A 67 6.286 14.472 0.680 1.00 0.00 C ATOM 946 O GLY A 67 5.891 14.608 1.838 1.00 0.00 O ATOM 0 H GLY A 67 6.089 14.721 -2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.234 16.124 -0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.655 15.593 -0.135 1.00 0.00 H new ATOM 950 N LEU A 68 7.283 13.661 0.346 1.00 0.00 N ATOM 951 CA LEU A 68 7.987 12.864 1.345 1.00 0.00 C ATOM 952 C LEU A 68 9.325 13.504 1.706 1.00 0.00 C ATOM 953 O LEU A 68 9.787 14.422 1.030 1.00 0.00 O ATOM 954 CB LEU A 68 8.214 11.443 0.826 1.00 0.00 C ATOM 955 CG LEU A 68 6.982 10.728 0.271 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.382 9.436 -0.424 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.979 10.450 1.382 1.00 0.00 C ATOM 0 H LEU A 68 7.622 13.538 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 68 7.369 12.822 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.972 11.480 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.624 10.842 1.638 1.00 0.00 H new ATOM 0 HG LEU A 68 6.508 11.380 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.492 8.941 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.061 9.661 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.881 8.779 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.109 9.941 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.442 9.819 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.667 11.391 1.834 1.00 0.00 H new ATOM 969 N SER A 69 9.939 13.012 2.776 1.00 0.00 N ATOM 970 CA SER A 69 11.223 13.535 3.229 1.00 0.00 C ATOM 971 C SER A 69 12.349 12.553 2.925 1.00 0.00 C ATOM 972 O SER A 69 12.190 11.336 3.026 1.00 0.00 O ATOM 973 CB SER A 69 11.176 13.828 4.731 1.00 0.00 C ATOM 974 OG SER A 69 12.178 14.760 5.100 1.00 0.00 O ATOM 0 H SER A 69 9.569 12.252 3.346 1.00 0.00 H new ATOM 0 HA SER A 69 11.420 14.462 2.691 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.194 14.220 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.312 12.902 5.290 1.00 0.00 H new ATOM 0 HG SER A 69 13.038 14.299 5.186 1.00 0.00 H new ATOM 980 N PRO A 70 13.516 13.093 2.544 1.00 0.00 N ATOM 981 CA PRO A 70 14.693 12.282 2.217 1.00 0.00 C ATOM 982 C PRO A 70 15.294 11.610 3.448 1.00 0.00 C ATOM 983 O PRO A 70 15.081 12.054 4.576 1.00 0.00 O ATOM 984 CB PRO A 70 15.675 13.301 1.633 1.00 0.00 C ATOM 985 CG PRO A 70 15.270 14.603 2.232 1.00 0.00 C ATOM 986 CD PRO A 70 13.777 14.535 2.402 1.00 0.00 C ATOM 0 HA PRO A 70 14.449 11.466 1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.704 13.051 1.889 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.615 13.330 0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.765 14.762 3.190 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.552 15.434 1.586 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.447 15.092 3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.255 14.955 1.542 1.00 0.00 H new ATOM 994 N ALA A 71 16.046 10.537 3.222 1.00 0.00 N ATOM 995 CA ALA A 71 16.679 9.806 4.312 1.00 0.00 C ATOM 996 C ALA A 71 15.698 9.564 5.455 1.00 0.00 C ATOM 997 O ALA A 71 15.998 9.845 6.615 1.00 0.00 O ATOM 998 CB ALA A 71 17.901 10.560 4.814 1.00 0.00 C ATOM 0 H ALA A 71 16.231 10.156 2.294 1.00 0.00 H new ATOM 0 HA ALA A 71 16.996 8.836 3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.364 10.002 5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.617 10.675 4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.599 11.544 5.174 1.00 0.00 H new ATOM 1004 N THR A 72 14.523 9.042 5.118 1.00 0.00 N ATOM 1005 CA THR A 72 13.496 8.764 6.115 1.00 0.00 C ATOM 1006 C THR A 72 12.822 7.423 5.851 1.00 0.00 C ATOM 1007 O THR A 72 12.478 7.102 4.713 1.00 0.00 O ATOM 1008 CB THR A 72 12.423 9.870 6.139 1.00 0.00 C ATOM 1009 OG1 THR A 72 13.041 11.147 6.337 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.409 9.615 7.244 1.00 0.00 C ATOM 0 H THR A 72 14.259 8.803 4.162 1.00 0.00 H new ATOM 0 HA THR A 72 13.996 8.731 7.083 1.00 0.00 H new ATOM 0 HB THR A 72 11.903 9.863 5.181 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.636 11.343 5.583 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.661 10.408 7.242 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.920 8.655 7.075 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.918 9.598 8.208 1.00 0.00 H new ATOM 1018 N THR A 73 12.634 6.641 6.910 1.00 0.00 N ATOM 1019 CA THR A 73 12.001 5.334 6.793 1.00 0.00 C ATOM 1020 C THR A 73 10.497 5.469 6.576 1.00 0.00 C ATOM 1021 O THR A 73 9.840 6.294 7.211 1.00 0.00 O ATOM 1022 CB THR A 73 12.252 4.474 8.045 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.606 4.633 8.485 1.00 0.00 O ATOM 1024 CG2 THR A 73 11.977 3.006 7.757 1.00 0.00 C ATOM 0 H THR A 73 12.912 6.891 7.859 1.00 0.00 H new ATOM 0 HA THR A 73 12.448 4.843 5.929 1.00 0.00 H new ATOM 0 HB THR A 73 11.573 4.808 8.830 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.757 4.084 9.283 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.161 2.418 8.656 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.938 2.884 7.450 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.634 2.663 6.958 1.00 0.00 H new ATOM 1032 N TYR A 74 9.959 4.654 5.677 1.00 0.00 N ATOM 1033 CA TYR A 74 8.533 4.683 5.374 1.00 0.00 C ATOM 1034 C TYR A 74 7.978 3.270 5.227 1.00 0.00 C ATOM 1035 O TYR A 74 8.729 2.312 5.043 1.00 0.00 O ATOM 1036 CB TYR A 74 8.278 5.480 4.094 1.00 0.00 C ATOM 1037 CG TYR A 74 8.485 6.969 4.257 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.527 7.760 4.881 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.638 7.585 3.785 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.713 9.120 5.030 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.831 8.945 3.932 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.865 9.708 4.555 1.00 0.00 C ATOM 1043 OH TYR A 74 9.055 11.064 4.701 1.00 0.00 O ATOM 0 H TYR A 74 10.489 3.964 5.144 1.00 0.00 H new ATOM 0 HA TYR A 74 8.021 5.170 6.204 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.940 5.113 3.310 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.257 5.298 3.760 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.623 7.303 5.255 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.395 6.991 3.295 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.959 9.720 5.517 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.733 9.408 3.561 1.00 0.00 H new ATOM 0 HH TYR A 74 8.596 11.373 5.510 1.00 0.00 H new ATOM 1053 N TYR A 75 6.658 3.149 5.307 1.00 0.00 N ATOM 1054 CA TYR A 75 6.000 1.852 5.184 1.00 0.00 C ATOM 1055 C TYR A 75 4.672 1.984 4.447 1.00 0.00 C ATOM 1056 O TYR A 75 4.109 3.075 4.347 1.00 0.00 O ATOM 1057 CB TYR A 75 5.771 1.240 6.567 1.00 0.00 C ATOM 1058 CG TYR A 75 7.031 1.126 7.395 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.513 2.212 8.114 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.740 -0.068 7.457 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.664 2.113 8.872 1.00 0.00 C ATOM 1062 CE2 TYR A 75 8.891 -0.176 8.213 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.348 0.916 8.918 1.00 0.00 C ATOM 1064 OH TYR A 75 10.496 0.812 9.671 1.00 0.00 O ATOM 0 H TYR A 75 6.022 3.932 5.456 1.00 0.00 H new ATOM 0 HA TYR A 75 6.651 1.195 4.607 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.045 1.847 7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.333 0.249 6.448 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.979 3.150 8.080 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.385 -0.926 6.905 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.026 2.967 9.425 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.430 -1.111 8.251 1.00 0.00 H new ATOM 0 HH TYR A 75 10.855 -0.097 9.597 1.00 0.00 H new ATOM 1074 N CYS A 76 4.175 0.865 3.931 1.00 0.00 N ATOM 1075 CA CYS A 76 2.912 0.852 3.203 1.00 0.00 C ATOM 1076 C CYS A 76 2.278 -0.534 3.237 1.00 0.00 C ATOM 1077 O CYS A 76 2.962 -1.545 3.075 1.00 0.00 O ATOM 1078 CB CYS A 76 3.130 1.292 1.754 1.00 0.00 C ATOM 1079 SG CYS A 76 3.601 -0.051 0.639 1.00 0.00 S ATOM 0 H CYS A 76 4.628 -0.046 4.004 1.00 0.00 H new ATOM 0 HA CYS A 76 2.234 1.553 3.690 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.214 1.753 1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.905 2.058 1.731 1.00 0.00 H new ATOM 0 HG CYS A 76 3.567 -1.181 1.282 1.00 0.00 H new ATOM 1085 N ARG A 77 0.966 -0.574 3.449 1.00 0.00 N ATOM 1086 CA ARG A 77 0.240 -1.837 3.507 1.00 0.00 C ATOM 1087 C ARG A 77 -1.112 -1.720 2.808 1.00 0.00 C ATOM 1088 O ARG A 77 -1.788 -0.697 2.910 1.00 0.00 O ATOM 1089 CB ARG A 77 0.039 -2.268 4.961 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.962 -1.411 5.717 1.00 0.00 C ATOM 1091 CD ARG A 77 -1.166 -1.914 7.138 1.00 0.00 C ATOM 1092 NE ARG A 77 -0.023 -1.609 7.995 1.00 0.00 N ATOM 1093 CZ ARG A 77 0.141 -2.122 9.209 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -0.758 -2.960 9.706 1.00 0.00 N ATOM 1095 NH2 ARG A 77 1.207 -1.795 9.929 1.00 0.00 N ATOM 0 H ARG A 77 0.385 0.253 3.583 1.00 0.00 H new ATOM 0 HA ARG A 77 0.833 -2.592 2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.295 -3.305 4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.998 -2.233 5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.613 -0.379 5.742 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.916 -1.412 5.189 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.065 -1.462 7.557 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.330 -2.992 7.121 1.00 0.00 H new ATOM 0 HE ARG A 77 0.687 -0.968 7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.579 -3.213 9.156 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.629 -3.352 10.639 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.900 -1.150 9.550 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.333 -2.189 10.861 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.499 -2.775 2.097 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.769 -2.791 1.382 1.00 0.00 C ATOM 1111 C VAL A 78 -3.608 -3.999 1.780 1.00 0.00 C ATOM 1112 O VAL A 78 -3.079 -5.086 2.007 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.554 -2.809 -0.143 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.806 -4.065 -0.562 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.887 -2.703 -0.869 1.00 0.00 C ATOM 0 H VAL A 78 -0.951 -3.630 2.001 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.298 -1.878 1.656 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.947 -1.946 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.663 -4.060 -1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.835 -4.092 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.383 -4.944 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.717 -2.717 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.521 -3.545 -0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.379 -1.771 -0.592 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.920 -3.800 1.863 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.833 -4.875 2.234 1.00 0.00 C ATOM 1127 C GLN A 79 -7.010 -4.948 1.266 1.00 0.00 C ATOM 1128 O GLN A 79 -7.457 -3.929 0.740 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.345 -4.667 3.661 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.586 -3.794 3.741 1.00 0.00 C ATOM 1131 CD GLN A 79 -8.169 -3.737 5.140 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -8.244 -2.670 5.751 1.00 0.00 O ATOM 1133 NE2 GLN A 79 -8.586 -4.887 5.655 1.00 0.00 N ATOM 0 H GLN A 79 -5.374 -2.905 1.679 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.286 -5.816 2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.565 -5.638 4.104 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.554 -4.215 4.260 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.337 -2.785 3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.340 -4.176 3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.505 -5.748 5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.988 -4.910 6.592 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.505 -6.159 1.035 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.630 -6.365 0.132 1.00 0.00 C ATOM 1144 C ALA A 80 -9.938 -6.492 0.904 1.00 0.00 C ATOM 1145 O ALA A 80 -10.080 -7.356 1.771 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.399 -7.602 -0.724 1.00 0.00 C ATOM 0 H ALA A 80 -7.144 -7.013 1.461 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.706 -5.494 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.247 -7.744 -1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.490 -7.473 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.295 -8.475 -0.080 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.894 -5.624 0.587 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.192 -5.638 1.252 1.00 0.00 C ATOM 1154 C LEU A 81 -13.224 -6.389 0.416 1.00 0.00 C ATOM 1155 O LEU A 81 -13.098 -6.484 -0.805 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.670 -4.209 1.511 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.892 -3.421 2.565 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.726 -2.681 1.927 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.811 -2.449 3.290 1.00 0.00 C ATOM 0 H LEU A 81 -10.794 -4.902 -0.127 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.079 -6.154 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.630 -3.658 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.716 -4.247 1.814 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.492 -4.125 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.184 -2.126 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.054 -3.398 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.103 -1.988 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.240 -1.897 4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.241 -1.751 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.611 -3.003 3.781 1.00 0.00 H new ATOM 1171 N SER A 82 -14.245 -6.917 1.082 1.00 0.00 N ATOM 1172 CA SER A 82 -15.300 -7.661 0.400 1.00 0.00 C ATOM 1173 C SER A 82 -16.669 -7.306 0.970 1.00 0.00 C ATOM 1174 O SER A 82 -16.788 -6.450 1.847 1.00 0.00 O ATOM 1175 CB SER A 82 -15.055 -9.166 0.528 1.00 0.00 C ATOM 1176 OG SER A 82 -15.152 -9.586 1.877 1.00 0.00 O ATOM 0 H SER A 82 -14.365 -6.844 2.092 1.00 0.00 H new ATOM 0 HA SER A 82 -15.283 -7.386 -0.655 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.781 -9.708 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.067 -9.411 0.138 1.00 0.00 H new ATOM 0 HG SER A 82 -14.566 -10.358 2.022 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.704 -7.972 0.465 1.00 0.00 N ATOM 1183 CA VAL A 83 -19.066 -7.730 0.924 1.00 0.00 C ATOM 1184 C VAL A 83 -19.430 -8.655 2.080 1.00 0.00 C ATOM 1185 O VAL A 83 -20.561 -8.644 2.566 1.00 0.00 O ATOM 1186 CB VAL A 83 -20.084 -7.925 -0.214 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -19.954 -6.812 -1.243 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.901 -9.287 -0.866 1.00 0.00 C ATOM 0 H VAL A 83 -17.624 -8.683 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.106 -6.695 1.265 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.088 -7.882 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.681 -6.966 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.139 -5.850 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.948 -6.821 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.629 -9.407 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.894 -9.362 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -20.049 -10.069 -0.122 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.463 -9.456 2.516 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.680 -10.388 3.617 1.00 0.00 C ATOM 1200 C VAL A 84 -17.793 -10.048 4.809 1.00 0.00 C ATOM 1201 O VAL A 84 -18.078 -10.438 5.940 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.406 -11.840 3.185 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -16.925 -12.164 3.305 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.240 -12.808 4.011 1.00 0.00 C ATOM 0 H VAL A 84 -17.522 -9.478 2.124 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.726 -10.295 3.909 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.693 -11.949 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.752 -13.195 2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.353 -11.492 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.608 -12.038 4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.034 -13.830 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -18.986 -12.699 5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.298 -12.590 3.868 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.714 -9.315 4.546 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.801 -8.933 5.608 1.00 0.00 C ATOM 1216 C GLY A 85 -14.656 -8.077 5.106 1.00 0.00 C ATOM 1217 O GLY A 85 -14.868 -7.113 4.370 1.00 0.00 O ATOM 0 H GLY A 85 -16.457 -8.980 3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.349 -8.387 6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.400 -9.831 6.079 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.438 -8.425 5.508 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.255 -7.681 5.094 1.00 0.00 C ATOM 1223 C ALA A 86 -10.993 -8.524 5.250 1.00 0.00 C ATOM 1224 O ALA A 86 -10.689 -9.006 6.340 1.00 0.00 O ATOM 1225 CB ALA A 86 -12.135 -6.393 5.896 1.00 0.00 C ATOM 0 H ALA A 86 -13.245 -9.218 6.120 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.364 -7.431 4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.247 -5.847 5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.019 -5.777 5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.053 -6.631 6.956 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.263 -8.697 4.153 1.00 0.00 N ATOM 1232 CA GLY A 87 -9.043 -9.483 4.189 1.00 0.00 C ATOM 1233 C GLY A 87 -7.956 -8.826 5.018 1.00 0.00 C ATOM 1234 O GLY A 87 -8.021 -7.640 5.338 1.00 0.00 O ATOM 0 H GLY A 87 -10.494 -8.307 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.262 -10.470 4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.680 -9.633 3.172 1.00 0.00 H new ATOM 1238 N PRO A 88 -6.928 -9.609 5.378 1.00 0.00 N ATOM 1239 CA PRO A 88 -5.803 -9.118 6.179 1.00 0.00 C ATOM 1240 C PRO A 88 -4.919 -8.147 5.404 1.00 0.00 C ATOM 1241 O PRO A 88 -5.145 -7.896 4.220 1.00 0.00 O ATOM 1242 CB PRO A 88 -5.027 -10.393 6.518 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.368 -11.347 5.426 1.00 0.00 C ATOM 1244 CD PRO A 88 -6.784 -11.032 5.030 1.00 0.00 C ATOM 0 HA PRO A 88 -6.138 -8.560 7.054 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.954 -10.204 6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.318 -10.786 7.492 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.691 -11.230 4.580 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.278 -12.379 5.766 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.952 -11.204 3.967 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.500 -11.652 5.570 1.00 0.00 H new ATOM 1252 N PHE A 89 -3.912 -7.603 6.079 1.00 0.00 N ATOM 1253 CA PHE A 89 -2.995 -6.657 5.454 1.00 0.00 C ATOM 1254 C PHE A 89 -1.747 -7.370 4.939 1.00 0.00 C ATOM 1255 O PHE A 89 -1.087 -8.101 5.678 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.597 -5.565 6.449 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.515 -4.377 6.431 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.562 -3.536 5.330 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.331 -4.099 7.516 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.406 -2.442 5.312 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -5.176 -3.007 7.504 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.214 -2.177 6.401 1.00 0.00 C ATOM 0 H PHE A 89 -3.710 -7.801 7.059 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.507 -6.198 4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.582 -5.988 7.454 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.582 -5.234 6.227 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.932 -3.738 4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.306 -4.744 8.382 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.434 -1.795 4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.807 -2.802 8.356 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.874 -1.322 6.390 1.00 0.00 H new ATOM 1272 N SER A 90 -1.431 -7.153 3.667 1.00 0.00 N ATOM 1273 CA SER A 90 -0.266 -7.777 3.051 1.00 0.00 C ATOM 1274 C SER A 90 0.982 -7.554 3.898 1.00 0.00 C ATOM 1275 O SER A 90 0.920 -6.940 4.964 1.00 0.00 O ATOM 1276 CB SER A 90 -0.046 -7.219 1.643 1.00 0.00 C ATOM 1277 OG SER A 90 -0.037 -5.802 1.652 1.00 0.00 O ATOM 0 H SER A 90 -1.966 -6.549 3.042 1.00 0.00 H new ATOM 0 HA SER A 90 -0.452 -8.849 2.985 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.899 -7.589 1.245 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.833 -7.577 0.979 1.00 0.00 H new ATOM 0 HG SER A 90 -0.958 -5.469 1.613 1.00 0.00 H new ATOM 1283 N GLU A 91 2.115 -8.058 3.419 1.00 0.00 N ATOM 1284 CA GLU A 91 3.377 -7.915 4.133 1.00 0.00 C ATOM 1285 C GLU A 91 3.898 -6.484 4.036 1.00 0.00 C ATOM 1286 O GLU A 91 4.224 -6.002 2.951 1.00 0.00 O ATOM 1287 CB GLU A 91 4.418 -8.886 3.574 1.00 0.00 C ATOM 1288 CG GLU A 91 4.034 -10.348 3.732 1.00 0.00 C ATOM 1289 CD GLU A 91 5.220 -11.282 3.594 1.00 0.00 C ATOM 1290 OE1 GLU A 91 6.018 -11.092 2.652 1.00 0.00 O ATOM 1291 OE2 GLU A 91 5.353 -12.202 4.427 1.00 0.00 O ATOM 0 H GLU A 91 2.184 -8.569 2.539 1.00 0.00 H new ATOM 0 HA GLU A 91 3.199 -8.149 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.571 -8.672 2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.370 -8.713 4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.573 -10.495 4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.285 -10.606 2.984 1.00 0.00 H new ATOM 1298 N VAL A 92 3.974 -5.809 5.179 1.00 0.00 N ATOM 1299 CA VAL A 92 4.455 -4.433 5.224 1.00 0.00 C ATOM 1300 C VAL A 92 5.699 -4.258 4.361 1.00 0.00 C ATOM 1301 O VAL A 92 6.647 -5.037 4.453 1.00 0.00 O ATOM 1302 CB VAL A 92 4.779 -4.000 6.666 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.478 -2.649 6.672 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.512 -3.958 7.507 1.00 0.00 C ATOM 0 H VAL A 92 3.709 -6.193 6.086 1.00 0.00 H new ATOM 0 HA VAL A 92 3.655 -3.804 4.834 1.00 0.00 H new ATOM 0 HB VAL A 92 5.454 -4.734 7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.699 -2.358 7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.407 -2.717 6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.829 -1.902 6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.760 -3.650 8.523 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.811 -3.246 7.073 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.057 -4.948 7.529 1.00 0.00 H new ATOM 1314 N VAL A 93 5.688 -3.228 3.519 1.00 0.00 N ATOM 1315 CA VAL A 93 6.816 -2.947 2.639 1.00 0.00 C ATOM 1316 C VAL A 93 7.527 -1.663 3.049 1.00 0.00 C ATOM 1317 O VAL A 93 7.048 -0.563 2.774 1.00 0.00 O ATOM 1318 CB VAL A 93 6.366 -2.828 1.171 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.572 -2.780 0.245 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.445 -3.980 0.801 1.00 0.00 C ATOM 0 H VAL A 93 4.910 -2.575 3.428 1.00 0.00 H new ATOM 0 HA VAL A 93 7.507 -3.785 2.732 1.00 0.00 H new ATOM 0 HB VAL A 93 5.811 -1.897 1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.234 -2.696 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.190 -1.918 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.157 -3.692 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.137 -3.880 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.972 -4.925 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.565 -3.963 1.443 1.00 0.00 H new ATOM 1330 N ALA A 94 8.672 -1.810 3.707 1.00 0.00 N ATOM 1331 CA ALA A 94 9.450 -0.661 4.152 1.00 0.00 C ATOM 1332 C ALA A 94 10.265 -0.072 3.006 1.00 0.00 C ATOM 1333 O ALA A 94 10.646 -0.782 2.075 1.00 0.00 O ATOM 1334 CB ALA A 94 10.364 -1.056 5.303 1.00 0.00 C ATOM 0 H ALA A 94 9.081 -2.714 3.944 1.00 0.00 H new ATOM 0 HA ALA A 94 8.755 0.104 4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.939 -0.188 5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.763 -1.423 6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.045 -1.841 4.974 1.00 0.00 H new ATOM 1340 N CYS A 95 10.528 1.228 3.080 1.00 0.00 N ATOM 1341 CA CYS A 95 11.297 1.912 2.046 1.00 0.00 C ATOM 1342 C CYS A 95 11.861 3.229 2.570 1.00 0.00 C ATOM 1343 O CYS A 95 11.122 4.076 3.073 1.00 0.00 O ATOM 1344 CB CYS A 95 10.423 2.171 0.818 1.00 0.00 C ATOM 1345 SG CYS A 95 9.140 3.419 1.074 1.00 0.00 S ATOM 0 H CYS A 95 10.220 1.829 3.844 1.00 0.00 H new ATOM 0 HA CYS A 95 12.129 1.268 1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 95 11.060 2.485 -0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 95 9.950 1.236 0.518 1.00 0.00 H new ATOM 0 HG CYS A 95 8.455 3.568 -0.021 1.00 0.00 H new ATOM 1351 N VAL A 96 13.175 3.393 2.452 1.00 0.00 N ATOM 1352 CA VAL A 96 13.838 4.607 2.915 1.00 0.00 C ATOM 1353 C VAL A 96 14.300 5.462 1.740 1.00 0.00 C ATOM 1354 O VAL A 96 15.183 5.067 0.978 1.00 0.00 O ATOM 1355 CB VAL A 96 15.052 4.278 3.804 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.607 5.545 4.438 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.671 3.262 4.870 1.00 0.00 C ATOM 0 H VAL A 96 13.801 2.701 2.040 1.00 0.00 H new ATOM 0 HA VAL A 96 13.107 5.164 3.501 1.00 0.00 H new ATOM 0 HB VAL A 96 15.831 3.841 3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.464 5.294 5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.919 6.237 3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.836 6.013 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.540 3.041 5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 96 13.876 3.670 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.324 2.346 4.392 1.00 0.00 H new ATOM 1367 N THR A 97 13.696 6.638 1.598 1.00 0.00 N ATOM 1368 CA THR A 97 14.044 7.551 0.517 1.00 0.00 C ATOM 1369 C THR A 97 15.491 8.016 0.634 1.00 0.00 C ATOM 1370 O THR A 97 16.056 8.095 1.725 1.00 0.00 O ATOM 1371 CB THR A 97 13.120 8.782 0.501 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.295 9.542 1.703 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.663 8.364 0.368 1.00 0.00 C ATOM 0 H THR A 97 12.963 6.980 2.219 1.00 0.00 H new ATOM 0 HA THR A 97 13.917 7.000 -0.415 1.00 0.00 H new ATOM 0 HB THR A 97 13.386 9.396 -0.359 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.549 10.169 1.805 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.029 9.251 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.526 7.811 -0.561 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.388 7.730 1.211 1.00 0.00 H new ATOM 1381 N PRO A 98 16.105 8.334 -0.515 1.00 0.00 N ATOM 1382 CA PRO A 98 17.495 8.800 -0.566 1.00 0.00 C ATOM 1383 C PRO A 98 17.660 10.196 0.023 1.00 0.00 C ATOM 1384 O PRO A 98 16.742 11.016 0.007 1.00 0.00 O ATOM 1385 CB PRO A 98 17.810 8.810 -2.064 1.00 0.00 C ATOM 1386 CG PRO A 98 16.487 8.975 -2.729 1.00 0.00 C ATOM 1387 CD PRO A 98 15.493 8.265 -1.851 1.00 0.00 C ATOM 0 HA PRO A 98 18.160 8.165 0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.486 9.625 -2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 98 18.295 7.884 -2.373 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.232 10.029 -2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 98 16.498 8.548 -3.732 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.518 8.753 -1.872 1.00 0.00 H new ATOM 0 HD3 PRO A 98 15.340 7.234 -2.170 1.00 0.00 H new ATOM 1395 N PRO A 99 18.859 10.476 0.557 1.00 0.00 N ATOM 1396 CA PRO A 99 19.174 11.774 1.161 1.00 0.00 C ATOM 1397 C PRO A 99 19.266 12.888 0.125 1.00 0.00 C ATOM 1398 O PRO A 99 19.852 12.709 -0.943 1.00 0.00 O ATOM 1399 CB PRO A 99 20.536 11.539 1.818 1.00 0.00 C ATOM 1400 CG PRO A 99 21.144 10.422 1.040 1.00 0.00 C ATOM 1401 CD PRO A 99 20.000 9.545 0.612 1.00 0.00 C ATOM 0 HA PRO A 99 18.401 12.098 1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.156 12.435 1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.428 11.276 2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.690 10.800 0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.856 9.865 1.649 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.189 9.083 -0.357 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.825 8.737 1.322 1.00 0.00 H new ATOM 1409 N SER A 100 18.685 14.040 0.446 1.00 0.00 N ATOM 1410 CA SER A 100 18.700 15.182 -0.458 1.00 0.00 C ATOM 1411 C SER A 100 19.715 16.225 -0.001 1.00 0.00 C ATOM 1412 O SER A 100 20.590 16.633 -0.765 1.00 0.00 O ATOM 1413 CB SER A 100 17.308 15.812 -0.542 1.00 0.00 C ATOM 1414 OG SER A 100 17.282 16.871 -1.483 1.00 0.00 O ATOM 0 H SER A 100 18.198 14.206 1.327 1.00 0.00 H new ATOM 0 HA SER A 100 18.991 14.826 -1.446 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.579 15.053 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.015 16.186 0.439 1.00 0.00 H new ATOM 0 HG SER A 100 16.381 17.255 -1.518 1.00 0.00 H new ATOM 1420 N SER A 101 19.592 16.652 1.251 1.00 0.00 N ATOM 1421 CA SER A 101 20.495 17.649 1.811 1.00 0.00 C ATOM 1422 C SER A 101 21.904 17.485 1.247 1.00 0.00 C ATOM 1423 O SER A 101 22.485 16.402 1.302 1.00 0.00 O ATOM 1424 CB SER A 101 20.530 17.539 3.337 1.00 0.00 C ATOM 1425 OG SER A 101 21.348 18.548 3.903 1.00 0.00 O ATOM 0 H SER A 101 18.875 16.323 1.897 1.00 0.00 H new ATOM 0 HA SER A 101 20.123 18.635 1.533 1.00 0.00 H new ATOM 0 HB2 SER A 101 19.518 17.622 3.734 1.00 0.00 H new ATOM 0 HB3 SER A 101 20.906 16.557 3.625 1.00 0.00 H new ATOM 0 HG SER A 101 21.352 18.457 4.879 1.00 0.00 H new ATOM 1431 N GLY A 102 22.447 18.570 0.702 1.00 0.00 N ATOM 1432 CA GLY A 102 23.781 18.526 0.135 1.00 0.00 C ATOM 1433 C GLY A 102 23.791 18.832 -1.350 1.00 0.00 C ATOM 1434 O GLY A 102 22.879 19.467 -1.880 1.00 0.00 O ATOM 0 H GLY A 102 21.986 19.478 0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 102 24.417 19.243 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 102 24.211 17.538 0.302 1.00 0.00 H new ATOM 1438 N PRO A 103 24.844 18.377 -2.045 1.00 0.00 N ATOM 1439 CA PRO A 103 24.994 18.595 -3.487 1.00 0.00 C ATOM 1440 C PRO A 103 23.984 17.795 -4.304 1.00 0.00 C ATOM 1441 O PRO A 103 23.553 16.718 -3.891 1.00 0.00 O ATOM 1442 CB PRO A 103 26.418 18.110 -3.773 1.00 0.00 C ATOM 1443 CG PRO A 103 26.705 17.124 -2.694 1.00 0.00 C ATOM 1444 CD PRO A 103 25.968 17.613 -1.478 1.00 0.00 C ATOM 0 HA PRO A 103 24.820 19.635 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 103 26.489 17.650 -4.759 1.00 0.00 H new ATOM 0 HB3 PRO A 103 27.129 18.936 -3.754 1.00 0.00 H new ATOM 0 HG2 PRO A 103 26.370 16.126 -2.978 1.00 0.00 H new ATOM 0 HG3 PRO A 103 27.776 17.058 -2.501 1.00 0.00 H new ATOM 0 HD2 PRO A 103 25.620 16.786 -0.859 1.00 0.00 H new ATOM 0 HD3 PRO A 103 26.601 18.238 -0.848 1.00 0.00 H new ATOM 1452 N SER A 104 23.612 18.328 -5.462 1.00 0.00 N ATOM 1453 CA SER A 104 22.650 17.664 -6.335 1.00 0.00 C ATOM 1454 C SER A 104 23.280 16.453 -7.016 1.00 0.00 C ATOM 1455 O SER A 104 24.489 16.416 -7.248 1.00 0.00 O ATOM 1456 CB SER A 104 22.127 18.642 -7.389 1.00 0.00 C ATOM 1457 OG SER A 104 21.247 19.591 -6.812 1.00 0.00 O ATOM 0 H SER A 104 23.961 19.218 -5.818 1.00 0.00 H new ATOM 0 HA SER A 104 21.816 17.321 -5.722 1.00 0.00 H new ATOM 0 HB2 SER A 104 22.965 19.157 -7.859 1.00 0.00 H new ATOM 0 HB3 SER A 104 21.609 18.092 -8.175 1.00 0.00 H new ATOM 0 HG SER A 104 20.928 20.205 -7.506 1.00 0.00 H new ATOM 1463 N SER A 105 22.451 15.463 -7.333 1.00 0.00 N ATOM 1464 CA SER A 105 22.927 14.247 -7.984 1.00 0.00 C ATOM 1465 C SER A 105 23.779 14.582 -9.204 1.00 0.00 C ATOM 1466 O SER A 105 24.828 13.979 -9.427 1.00 0.00 O ATOM 1467 CB SER A 105 21.744 13.371 -8.399 1.00 0.00 C ATOM 1468 OG SER A 105 22.164 12.314 -9.245 1.00 0.00 O ATOM 0 H SER A 105 21.448 15.479 -7.150 1.00 0.00 H new ATOM 0 HA SER A 105 23.544 13.700 -7.271 1.00 0.00 H new ATOM 0 HB2 SER A 105 21.262 12.961 -7.511 1.00 0.00 H new ATOM 0 HB3 SER A 105 21.000 13.979 -8.914 1.00 0.00 H new ATOM 0 HG SER A 105 21.390 11.768 -9.495 1.00 0.00 H new ATOM 1474 N GLY A 106 23.319 15.548 -9.992 1.00 0.00 N ATOM 1475 CA GLY A 106 24.050 15.948 -11.181 1.00 0.00 C ATOM 1476 C GLY A 106 23.137 16.458 -12.279 1.00 0.00 C ATOM 1477 O GLY A 106 22.828 15.732 -13.224 1.00 0.00 O ATOM 0 H GLY A 106 22.453 16.061 -9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 106 24.767 16.726 -10.918 1.00 0.00 H new ATOM 0 HA3 GLY A 106 24.623 15.099 -11.554 1.00 0.00 H new TER 1481 GLY A 106