USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 631 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.108 (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 180:sc= -0.0584 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 140:sc= -0.425 (180deg=-1.77!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -143:sc= 0.244 (180deg=-0.0627) USER MOD Single : A 25 SER OG : rot 36:sc= 0.157 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 87:sc= 0.298 USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.0533 (180deg=-0.328) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0104 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= 0.247 (180deg=-0.626) USER MOD Single : A 49 ASN : amide:sc= -3.06 K(o=-3.1,f=-10!) USER MOD Single : A 54 HIS : no HD1:sc= -2.05 X(o=-2.1,f=-1.6) USER MOD Single : A 56 HIS : no HE2:sc= 0.175 K(o=0.17,f=-0.71) USER MOD Single : A 57 GLN : amide:sc= -9.19! C(o=-9.2!,f=-9.5!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -6.37! C(o=-6.2!,f=-9.9!) USER MOD Single : A 64 LYS NZ :NH3+ -116:sc= -0.173 (180deg=-1.45!) USER MOD Single : A 69 LYS NZ :NH3+ -101:sc= 0 (180deg=-0.675) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc=-0.00612 K(o=-0.0061,f=-0.89) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.026 -55.829 3.521 1.00 0.00 N ATOM 2 CA GLY A 1 -22.600 -54.520 3.062 1.00 0.00 C ATOM 3 C GLY A 1 -23.769 -53.625 2.699 1.00 0.00 C ATOM 4 O GLY A 1 -24.927 -53.992 2.901 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.730 -55.964 4.509 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.062 -55.899 3.457 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.592 -56.564 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.007 -54.040 3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.952 -54.636 2.194 1.00 0.00 H new ATOM 8 N SER A 2 -23.466 -52.447 2.163 1.00 0.00 N ATOM 9 CA SER A 2 -24.501 -51.495 1.776 1.00 0.00 C ATOM 10 C SER A 2 -24.042 -50.645 0.595 1.00 0.00 C ATOM 11 O SER A 2 -22.868 -50.289 0.491 1.00 0.00 O ATOM 12 CB SER A 2 -24.862 -50.594 2.958 1.00 0.00 C ATOM 13 OG SER A 2 -26.037 -49.849 2.691 1.00 0.00 O ATOM 0 H SER A 2 -22.513 -52.129 1.987 1.00 0.00 H new ATOM 0 HA SER A 2 -25.384 -52.058 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.008 -51.202 3.851 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.036 -49.914 3.167 1.00 0.00 H new ATOM 0 HG SER A 2 -26.247 -49.282 3.462 1.00 0.00 H new ATOM 19 N SER A 3 -24.977 -50.323 -0.293 1.00 0.00 N ATOM 20 CA SER A 3 -24.670 -49.518 -1.469 1.00 0.00 C ATOM 21 C SER A 3 -25.938 -48.901 -2.052 1.00 0.00 C ATOM 22 O SER A 3 -27.007 -49.509 -2.024 1.00 0.00 O ATOM 23 CB SER A 3 -23.971 -50.372 -2.529 1.00 0.00 C ATOM 24 OG SER A 3 -23.308 -49.559 -3.483 1.00 0.00 O ATOM 0 H SER A 3 -25.954 -50.607 -0.220 1.00 0.00 H new ATOM 0 HA SER A 3 -24.003 -48.712 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.252 -51.036 -2.049 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.703 -51.005 -3.031 1.00 0.00 H new ATOM 0 HG SER A 3 -22.868 -50.128 -4.148 1.00 0.00 H new ATOM 30 N GLY A 4 -25.809 -47.688 -2.581 1.00 0.00 N ATOM 31 CA GLY A 4 -26.951 -47.008 -3.163 1.00 0.00 C ATOM 32 C GLY A 4 -26.544 -45.861 -4.067 1.00 0.00 C ATOM 33 O GLY A 4 -25.493 -45.250 -3.871 1.00 0.00 O ATOM 0 H GLY A 4 -24.934 -47.164 -2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.544 -47.723 -3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.590 -46.629 -2.365 1.00 0.00 H new ATOM 37 N SER A 5 -27.377 -45.568 -5.060 1.00 0.00 N ATOM 38 CA SER A 5 -27.096 -44.491 -6.002 1.00 0.00 C ATOM 39 C SER A 5 -28.307 -44.212 -6.887 1.00 0.00 C ATOM 40 O SER A 5 -29.228 -45.025 -6.970 1.00 0.00 O ATOM 41 CB SER A 5 -25.886 -44.846 -6.869 1.00 0.00 C ATOM 42 OG SER A 5 -25.509 -43.754 -7.690 1.00 0.00 O ATOM 0 H SER A 5 -28.253 -46.062 -5.233 1.00 0.00 H new ATOM 0 HA SER A 5 -26.872 -43.591 -5.430 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.049 -45.132 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.122 -45.709 -7.492 1.00 0.00 H new ATOM 0 HG SER A 5 -24.733 -44.006 -8.233 1.00 0.00 H new ATOM 48 N SER A 6 -28.297 -43.058 -7.546 1.00 0.00 N ATOM 49 CA SER A 6 -29.396 -42.670 -8.422 1.00 0.00 C ATOM 50 C SER A 6 -28.868 -42.071 -9.723 1.00 0.00 C ATOM 51 O SER A 6 -27.693 -41.721 -9.826 1.00 0.00 O ATOM 52 CB SER A 6 -30.307 -41.663 -7.717 1.00 0.00 C ATOM 53 OG SER A 6 -31.618 -41.699 -8.254 1.00 0.00 O ATOM 0 H SER A 6 -27.541 -42.376 -7.490 1.00 0.00 H new ATOM 0 HA SER A 6 -29.971 -43.565 -8.661 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.341 -41.884 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.895 -40.659 -7.822 1.00 0.00 H new ATOM 0 HG SER A 6 -32.181 -41.048 -7.786 1.00 0.00 H new ATOM 59 N GLY A 7 -29.746 -41.957 -10.714 1.00 0.00 N ATOM 60 CA GLY A 7 -29.351 -41.401 -11.995 1.00 0.00 C ATOM 61 C GLY A 7 -30.116 -40.138 -12.340 1.00 0.00 C ATOM 62 O GLY A 7 -31.188 -40.199 -12.942 1.00 0.00 O ATOM 0 H GLY A 7 -30.724 -42.240 -10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.283 -41.182 -11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.512 -42.144 -12.776 1.00 0.00 H new ATOM 66 N CYS A 8 -29.565 -38.992 -11.956 1.00 0.00 N ATOM 67 CA CYS A 8 -30.203 -37.709 -12.226 1.00 0.00 C ATOM 68 C CYS A 8 -29.729 -37.135 -13.557 1.00 0.00 C ATOM 69 O CYS A 8 -28.616 -37.412 -14.003 1.00 0.00 O ATOM 70 CB CYS A 8 -29.907 -36.721 -11.097 1.00 0.00 C ATOM 71 SG CYS A 8 -30.676 -37.152 -9.518 1.00 0.00 S ATOM 0 H CYS A 8 -28.678 -38.925 -11.457 1.00 0.00 H new ATOM 0 HA CYS A 8 -31.279 -37.872 -12.284 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -28.828 -36.658 -10.958 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -30.249 -35.730 -11.397 1.00 0.00 H new ATOM 0 HG CYS A 8 -30.366 -36.259 -8.626 1.00 0.00 H new ATOM 77 N SER A 9 -30.583 -36.335 -14.189 1.00 0.00 N ATOM 78 CA SER A 9 -30.254 -35.727 -15.472 1.00 0.00 C ATOM 79 C SER A 9 -29.779 -34.289 -15.286 1.00 0.00 C ATOM 80 O SER A 9 -30.385 -33.515 -14.545 1.00 0.00 O ATOM 81 CB SER A 9 -31.469 -35.758 -16.402 1.00 0.00 C ATOM 82 OG SER A 9 -31.151 -35.220 -17.674 1.00 0.00 O ATOM 0 H SER A 9 -31.508 -36.093 -13.833 1.00 0.00 H new ATOM 0 HA SER A 9 -29.446 -36.303 -15.922 1.00 0.00 H new ATOM 0 HB2 SER A 9 -31.819 -36.784 -16.515 1.00 0.00 H new ATOM 0 HB3 SER A 9 -32.286 -35.190 -15.957 1.00 0.00 H new ATOM 0 HG SER A 9 -31.943 -35.253 -18.250 1.00 0.00 H new ATOM 88 N GLU A 10 -28.690 -33.939 -15.963 1.00 0.00 N ATOM 89 CA GLU A 10 -28.133 -32.595 -15.872 1.00 0.00 C ATOM 90 C GLU A 10 -28.088 -31.930 -17.245 1.00 0.00 C ATOM 91 O GLU A 10 -28.475 -32.527 -18.249 1.00 0.00 O ATOM 92 CB GLU A 10 -26.727 -32.641 -15.270 1.00 0.00 C ATOM 93 CG GLU A 10 -25.657 -33.082 -16.255 1.00 0.00 C ATOM 94 CD GLU A 10 -24.276 -33.135 -15.631 1.00 0.00 C ATOM 95 OE1 GLU A 10 -23.830 -32.101 -15.090 1.00 0.00 O ATOM 96 OE2 GLU A 10 -23.642 -34.209 -15.683 1.00 0.00 O ATOM 0 H GLU A 10 -28.176 -34.568 -16.580 1.00 0.00 H new ATOM 0 HA GLU A 10 -28.780 -32.005 -15.222 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.472 -31.652 -14.888 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -26.728 -33.321 -14.418 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -25.913 -34.067 -16.647 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -25.643 -32.396 -17.102 1.00 0.00 H new ATOM 103 N VAL A 11 -27.614 -30.689 -17.279 1.00 0.00 N ATOM 104 CA VAL A 11 -27.518 -29.941 -18.528 1.00 0.00 C ATOM 105 C VAL A 11 -26.837 -28.595 -18.311 1.00 0.00 C ATOM 106 O VAL A 11 -27.095 -27.909 -17.323 1.00 0.00 O ATOM 107 CB VAL A 11 -28.907 -29.708 -19.150 1.00 0.00 C ATOM 108 CG1 VAL A 11 -29.770 -28.860 -18.227 1.00 0.00 C ATOM 109 CG2 VAL A 11 -28.774 -29.055 -20.518 1.00 0.00 C ATOM 0 H VAL A 11 -27.290 -30.180 -16.457 1.00 0.00 H new ATOM 0 HA VAL A 11 -26.918 -30.542 -19.212 1.00 0.00 H new ATOM 0 HB VAL A 11 -29.396 -30.674 -19.279 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -30.748 -28.706 -18.683 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -29.892 -29.371 -17.272 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -29.289 -27.895 -18.064 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -29.765 -28.897 -20.944 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -28.266 -28.096 -20.416 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -28.195 -29.703 -21.176 1.00 0.00 H new ATOM 119 N ASN A 12 -25.965 -28.222 -19.243 1.00 0.00 N ATOM 120 CA ASN A 12 -25.246 -26.956 -19.154 1.00 0.00 C ATOM 121 C ASN A 12 -25.698 -25.996 -20.250 1.00 0.00 C ATOM 122 O ASN A 12 -25.922 -26.399 -21.391 1.00 0.00 O ATOM 123 CB ASN A 12 -23.739 -27.194 -19.259 1.00 0.00 C ATOM 124 CG ASN A 12 -22.934 -26.142 -18.519 1.00 0.00 C ATOM 125 OD1 ASN A 12 -22.770 -25.020 -18.998 1.00 0.00 O ATOM 126 ND2 ASN A 12 -22.429 -26.501 -17.345 1.00 0.00 N ATOM 0 H ASN A 12 -25.740 -28.778 -20.068 1.00 0.00 H new ATOM 0 HA ASN A 12 -25.470 -26.506 -18.187 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -23.501 -28.179 -18.857 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -23.447 -27.199 -20.309 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -21.880 -25.836 -16.801 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -22.590 -27.442 -16.987 1.00 0.00 H new ATOM 133 N VAL A 13 -25.831 -24.722 -19.894 1.00 0.00 N ATOM 134 CA VAL A 13 -26.254 -23.702 -20.847 1.00 0.00 C ATOM 135 C VAL A 13 -25.226 -22.581 -20.945 1.00 0.00 C ATOM 136 O VAL A 13 -24.764 -22.057 -19.931 1.00 0.00 O ATOM 137 CB VAL A 13 -27.618 -23.102 -20.457 1.00 0.00 C ATOM 138 CG1 VAL A 13 -28.016 -22.004 -21.432 1.00 0.00 C ATOM 139 CG2 VAL A 13 -28.681 -24.188 -20.401 1.00 0.00 C ATOM 0 H VAL A 13 -25.652 -24.372 -18.953 1.00 0.00 H new ATOM 0 HA VAL A 13 -26.345 -24.192 -21.816 1.00 0.00 H new ATOM 0 HB VAL A 13 -27.531 -22.660 -19.465 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -28.982 -21.592 -21.141 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -27.265 -21.214 -21.417 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -28.087 -22.418 -22.438 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -29.638 -23.746 -20.124 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -28.769 -24.662 -21.379 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -28.399 -24.936 -19.660 1.00 0.00 H new ATOM 149 N VAL A 14 -24.872 -22.216 -22.173 1.00 0.00 N ATOM 150 CA VAL A 14 -23.900 -21.154 -22.405 1.00 0.00 C ATOM 151 C VAL A 14 -24.519 -19.781 -22.171 1.00 0.00 C ATOM 152 O VAL A 14 -25.147 -19.210 -23.062 1.00 0.00 O ATOM 153 CB VAL A 14 -23.335 -21.213 -23.837 1.00 0.00 C ATOM 154 CG1 VAL A 14 -22.357 -20.072 -24.072 1.00 0.00 C ATOM 155 CG2 VAL A 14 -22.670 -22.558 -24.092 1.00 0.00 C ATOM 0 H VAL A 14 -25.244 -22.640 -23.023 1.00 0.00 H new ATOM 0 HA VAL A 14 -23.088 -21.309 -21.695 1.00 0.00 H new ATOM 0 HB VAL A 14 -24.161 -21.103 -24.540 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -21.968 -20.130 -25.089 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.869 -19.120 -23.933 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -21.532 -20.148 -23.363 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.276 -22.582 -25.108 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.854 -22.701 -23.383 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -23.402 -23.356 -23.967 1.00 0.00 H new ATOM 165 N LYS A 15 -24.337 -19.254 -20.965 1.00 0.00 N ATOM 166 CA LYS A 15 -24.875 -17.946 -20.611 1.00 0.00 C ATOM 167 C LYS A 15 -23.760 -16.912 -20.496 1.00 0.00 C ATOM 168 O LYS A 15 -22.728 -17.166 -19.875 1.00 0.00 O ATOM 169 CB LYS A 15 -25.647 -18.029 -19.293 1.00 0.00 C ATOM 170 CG LYS A 15 -27.068 -18.541 -19.451 1.00 0.00 C ATOM 171 CD LYS A 15 -27.961 -18.069 -18.316 1.00 0.00 C ATOM 172 CE LYS A 15 -27.684 -18.838 -17.033 1.00 0.00 C ATOM 173 NZ LYS A 15 -28.397 -20.145 -17.004 1.00 0.00 N ATOM 0 H LYS A 15 -23.820 -19.714 -20.215 1.00 0.00 H new ATOM 0 HA LYS A 15 -25.555 -17.634 -21.404 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -25.109 -18.683 -18.607 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -25.675 -17.040 -18.835 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -27.475 -18.198 -20.402 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -27.062 -19.631 -19.481 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -27.802 -17.004 -18.145 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -29.006 -18.194 -18.598 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -26.612 -19.007 -16.936 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -27.991 -18.238 -16.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -28.182 -20.638 -16.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -29.422 -19.983 -17.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -28.085 -20.728 -17.807 1.00 0.00 H new ATOM 187 N GLU A 16 -23.976 -15.745 -21.096 1.00 0.00 N ATOM 188 CA GLU A 16 -22.988 -14.673 -21.059 1.00 0.00 C ATOM 189 C GLU A 16 -22.554 -14.383 -19.625 1.00 0.00 C ATOM 190 O GLU A 16 -23.358 -14.451 -18.695 1.00 0.00 O ATOM 191 CB GLU A 16 -23.556 -13.404 -21.697 1.00 0.00 C ATOM 192 CG GLU A 16 -22.539 -12.283 -21.833 1.00 0.00 C ATOM 193 CD GLU A 16 -23.118 -11.047 -22.492 1.00 0.00 C ATOM 194 OE1 GLU A 16 -24.270 -10.686 -22.170 1.00 0.00 O ATOM 195 OE2 GLU A 16 -22.419 -10.439 -23.329 1.00 0.00 O ATOM 0 H GLU A 16 -24.826 -15.518 -21.613 1.00 0.00 H new ATOM 0 HA GLU A 16 -22.116 -14.998 -21.626 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -23.949 -13.648 -22.684 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -24.395 -13.051 -21.098 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -22.160 -12.020 -20.846 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -21.689 -12.637 -22.417 1.00 0.00 H new ATOM 202 N ARG A 17 -21.276 -14.061 -19.454 1.00 0.00 N ATOM 203 CA ARG A 17 -20.733 -13.763 -18.134 1.00 0.00 C ATOM 204 C ARG A 17 -21.554 -12.680 -17.440 1.00 0.00 C ATOM 205 O ARG A 17 -22.203 -11.853 -18.081 1.00 0.00 O ATOM 206 CB ARG A 17 -19.274 -13.317 -18.248 1.00 0.00 C ATOM 207 CG ARG A 17 -18.328 -14.431 -18.666 1.00 0.00 C ATOM 208 CD ARG A 17 -17.962 -15.322 -17.489 1.00 0.00 C ATOM 209 NE ARG A 17 -17.172 -14.610 -16.488 1.00 0.00 N ATOM 210 CZ ARG A 17 -16.887 -15.104 -15.288 1.00 0.00 C ATOM 211 NH1 ARG A 17 -17.325 -16.307 -14.942 1.00 0.00 N ATOM 212 NH2 ARG A 17 -16.162 -14.395 -14.432 1.00 0.00 N ATOM 0 H ARG A 17 -20.597 -14.000 -20.213 1.00 0.00 H new ATOM 0 HA ARG A 17 -20.782 -14.672 -17.535 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -19.207 -12.504 -18.971 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.949 -12.917 -17.288 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.794 -15.032 -19.447 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -17.422 -14.000 -19.093 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.872 -15.705 -17.027 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.400 -16.184 -17.848 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.820 -13.682 -16.723 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.882 -16.855 -15.598 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.105 -16.684 -14.020 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.823 -13.470 -14.695 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.944 -14.775 -13.511 1.00 0.00 H new ATOM 226 N PRO A 18 -21.528 -12.685 -16.099 1.00 0.00 N ATOM 227 CA PRO A 18 -22.264 -11.709 -15.289 1.00 0.00 C ATOM 228 C PRO A 18 -21.676 -10.307 -15.394 1.00 0.00 C ATOM 229 O PRO A 18 -20.458 -10.129 -15.358 1.00 0.00 O ATOM 230 CB PRO A 18 -22.115 -12.247 -13.864 1.00 0.00 C ATOM 231 CG PRO A 18 -20.859 -13.048 -13.891 1.00 0.00 C ATOM 232 CD PRO A 18 -20.776 -13.642 -15.270 1.00 0.00 C ATOM 0 HA PRO A 18 -23.299 -11.607 -15.615 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -22.052 -11.435 -13.139 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -22.970 -12.861 -13.581 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -19.992 -12.421 -13.683 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -20.878 -13.829 -13.130 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -19.743 -13.739 -15.605 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -21.217 -14.638 -15.306 1.00 0.00 H new ATOM 240 N LYS A 19 -22.547 -9.312 -15.524 1.00 0.00 N ATOM 241 CA LYS A 19 -22.115 -7.924 -15.632 1.00 0.00 C ATOM 242 C LYS A 19 -20.873 -7.674 -14.783 1.00 0.00 C ATOM 243 O LYS A 19 -20.665 -8.326 -13.760 1.00 0.00 O ATOM 244 CB LYS A 19 -23.241 -6.983 -15.198 1.00 0.00 C ATOM 245 CG LYS A 19 -24.509 -7.133 -16.020 1.00 0.00 C ATOM 246 CD LYS A 19 -25.629 -6.259 -15.480 1.00 0.00 C ATOM 247 CE LYS A 19 -26.439 -6.984 -14.416 1.00 0.00 C ATOM 248 NZ LYS A 19 -25.742 -6.995 -13.100 1.00 0.00 N ATOM 0 H LYS A 19 -23.558 -9.442 -15.557 1.00 0.00 H new ATOM 0 HA LYS A 19 -21.867 -7.726 -16.675 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -23.474 -7.168 -14.149 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.891 -5.953 -15.270 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -24.305 -6.866 -17.057 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -24.826 -8.176 -16.016 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -25.208 -5.346 -15.059 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -26.285 -5.960 -16.298 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -27.411 -6.502 -14.308 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -26.625 -8.009 -14.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -26.434 -6.839 -12.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -25.276 -7.915 -12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -25.028 -6.239 -13.079 1.00 0.00 H new ATOM 262 N THR A 20 -20.049 -6.723 -15.214 1.00 0.00 N ATOM 263 CA THR A 20 -18.828 -6.386 -14.493 1.00 0.00 C ATOM 264 C THR A 20 -18.818 -4.917 -14.084 1.00 0.00 C ATOM 265 O THR A 20 -19.076 -4.033 -14.902 1.00 0.00 O ATOM 266 CB THR A 20 -17.576 -6.678 -15.342 1.00 0.00 C ATOM 267 OG1 THR A 20 -16.394 -6.443 -14.569 1.00 0.00 O ATOM 268 CG2 THR A 20 -17.553 -5.809 -16.590 1.00 0.00 C ATOM 0 H THR A 20 -20.206 -6.173 -16.059 1.00 0.00 H new ATOM 0 HA THR A 20 -18.807 -7.010 -13.599 1.00 0.00 H new ATOM 0 HB THR A 20 -17.608 -7.724 -15.648 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.603 -6.633 -15.115 1.00 0.00 H new ATOM 0 HG21 THR A 20 -16.660 -6.033 -17.173 1.00 0.00 H new ATOM 0 HG22 THR A 20 -18.439 -6.012 -17.191 1.00 0.00 H new ATOM 0 HG23 THR A 20 -17.543 -4.758 -16.301 1.00 0.00 H new ATOM 276 N ASP A 21 -18.519 -4.664 -12.815 1.00 0.00 N ATOM 277 CA ASP A 21 -18.475 -3.301 -12.297 1.00 0.00 C ATOM 278 C ASP A 21 -17.952 -2.335 -13.356 1.00 0.00 C ATOM 279 O ASP A 21 -16.798 -2.421 -13.773 1.00 0.00 O ATOM 280 CB ASP A 21 -17.592 -3.235 -11.050 1.00 0.00 C ATOM 281 CG ASP A 21 -18.373 -3.489 -9.775 1.00 0.00 C ATOM 282 OD1 ASP A 21 -19.581 -3.174 -9.747 1.00 0.00 O ATOM 283 OD2 ASP A 21 -17.776 -4.002 -8.805 1.00 0.00 O ATOM 0 H ASP A 21 -18.303 -5.384 -12.126 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.490 -3.007 -12.030 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.792 -3.970 -11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -17.119 -2.254 -10.994 1.00 0.00 H new ATOM 288 N GLU A 22 -18.811 -1.416 -13.786 1.00 0.00 N ATOM 289 CA GLU A 22 -18.436 -0.435 -14.798 1.00 0.00 C ATOM 290 C GLU A 22 -17.061 0.156 -14.499 1.00 0.00 C ATOM 291 O GLU A 22 -16.213 0.262 -15.386 1.00 0.00 O ATOM 292 CB GLU A 22 -19.479 0.683 -14.868 1.00 0.00 C ATOM 293 CG GLU A 22 -19.200 1.708 -15.955 1.00 0.00 C ATOM 294 CD GLU A 22 -19.614 1.226 -17.331 1.00 0.00 C ATOM 295 OE1 GLU A 22 -20.832 1.102 -17.576 1.00 0.00 O ATOM 296 OE2 GLU A 22 -18.719 0.973 -18.165 1.00 0.00 O ATOM 0 H GLU A 22 -19.770 -1.330 -13.450 1.00 0.00 H new ATOM 0 HA GLU A 22 -18.393 -0.943 -15.761 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -20.461 0.242 -15.039 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.521 1.190 -13.904 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.730 2.632 -15.723 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.136 1.944 -15.962 1.00 0.00 H new ATOM 303 N HIS A 23 -16.848 0.539 -13.245 1.00 0.00 N ATOM 304 CA HIS A 23 -15.576 1.119 -12.828 1.00 0.00 C ATOM 305 C HIS A 23 -14.465 0.074 -12.862 1.00 0.00 C ATOM 306 O HIS A 23 -14.607 -1.017 -12.311 1.00 0.00 O ATOM 307 CB HIS A 23 -15.696 1.707 -11.422 1.00 0.00 C ATOM 308 CG HIS A 23 -16.621 2.882 -11.340 1.00 0.00 C ATOM 309 ND1 HIS A 23 -16.319 4.116 -11.876 1.00 0.00 N ATOM 310 CD2 HIS A 23 -17.848 3.006 -10.782 1.00 0.00 C ATOM 311 CE1 HIS A 23 -17.319 4.949 -11.650 1.00 0.00 C ATOM 312 NE2 HIS A 23 -18.260 4.300 -10.988 1.00 0.00 N ATOM 0 H HIS A 23 -17.539 0.458 -12.499 1.00 0.00 H new ATOM 0 HA HIS A 23 -15.322 1.916 -13.527 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -16.047 0.931 -10.742 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -14.707 2.009 -11.078 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.400 2.232 -10.270 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -17.360 5.984 -11.955 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -19.148 4.696 -10.680 1.00 0.00 H new ATOM 320 N LYS A 24 -13.359 0.415 -13.515 1.00 0.00 N ATOM 321 CA LYS A 24 -12.222 -0.492 -13.622 1.00 0.00 C ATOM 322 C LYS A 24 -11.204 -0.221 -12.519 1.00 0.00 C ATOM 323 O LYS A 24 -11.142 0.882 -11.976 1.00 0.00 O ATOM 324 CB LYS A 24 -11.556 -0.349 -14.992 1.00 0.00 C ATOM 325 CG LYS A 24 -10.592 -1.476 -15.320 1.00 0.00 C ATOM 326 CD LYS A 24 -10.045 -1.348 -16.732 1.00 0.00 C ATOM 327 CE LYS A 24 -8.828 -0.436 -16.778 1.00 0.00 C ATOM 328 NZ LYS A 24 -7.616 -1.099 -16.223 1.00 0.00 N ATOM 0 H LYS A 24 -13.226 1.314 -13.979 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.591 -1.511 -13.509 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.329 -0.308 -15.760 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.019 0.599 -15.029 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.767 -1.470 -14.607 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.100 -2.434 -15.211 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.776 -2.334 -17.110 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.820 -0.955 -17.390 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.638 -0.136 -17.809 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.035 0.474 -16.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.048 -0.402 -15.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.903 -1.865 -15.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.049 -1.493 -17.001 1.00 0.00 H new ATOM 342 N SER A 25 -10.406 -1.233 -12.195 1.00 0.00 N ATOM 343 CA SER A 25 -9.391 -1.104 -11.155 1.00 0.00 C ATOM 344 C SER A 25 -7.990 -1.142 -11.756 1.00 0.00 C ATOM 345 O SER A 25 -7.633 -2.082 -12.468 1.00 0.00 O ATOM 346 CB SER A 25 -9.546 -2.221 -10.121 1.00 0.00 C ATOM 347 OG SER A 25 -9.566 -3.493 -10.744 1.00 0.00 O ATOM 0 H SER A 25 -10.442 -2.151 -12.637 1.00 0.00 H new ATOM 0 HA SER A 25 -9.530 -0.141 -10.663 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.724 -2.176 -9.406 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.467 -2.074 -9.558 1.00 0.00 H new ATOM 0 HG SER A 25 -8.959 -3.490 -11.513 1.00 0.00 H new ATOM 353 N TYR A 26 -7.200 -0.115 -11.465 1.00 0.00 N ATOM 354 CA TYR A 26 -5.838 -0.028 -11.978 1.00 0.00 C ATOM 355 C TYR A 26 -4.833 -0.526 -10.943 1.00 0.00 C ATOM 356 O TYR A 26 -4.966 -0.250 -9.751 1.00 0.00 O ATOM 357 CB TYR A 26 -5.509 1.413 -12.372 1.00 0.00 C ATOM 358 CG TYR A 26 -6.435 1.978 -13.425 1.00 0.00 C ATOM 359 CD1 TYR A 26 -6.202 1.755 -14.777 1.00 0.00 C ATOM 360 CD2 TYR A 26 -7.545 2.735 -13.068 1.00 0.00 C ATOM 361 CE1 TYR A 26 -7.045 2.271 -15.742 1.00 0.00 C ATOM 362 CE2 TYR A 26 -8.394 3.253 -14.027 1.00 0.00 C ATOM 363 CZ TYR A 26 -8.140 3.019 -15.362 1.00 0.00 C ATOM 364 OH TYR A 26 -8.983 3.533 -16.321 1.00 0.00 O ATOM 0 H TYR A 26 -7.479 0.670 -10.876 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.769 -0.664 -12.861 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.555 2.043 -11.484 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.484 1.455 -12.741 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.347 1.168 -15.078 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.747 2.921 -12.024 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.848 2.090 -16.788 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.252 3.838 -13.732 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.705 4.034 -15.887 1.00 0.00 H new ATOM 374 N SER A 27 -3.828 -1.260 -11.409 1.00 0.00 N ATOM 375 CA SER A 27 -2.801 -1.799 -10.525 1.00 0.00 C ATOM 376 C SER A 27 -1.748 -0.742 -10.206 1.00 0.00 C ATOM 377 O SER A 27 -1.427 0.102 -11.043 1.00 0.00 O ATOM 378 CB SER A 27 -2.137 -3.020 -11.165 1.00 0.00 C ATOM 379 OG SER A 27 -1.181 -2.630 -12.135 1.00 0.00 O ATOM 0 H SER A 27 -3.703 -1.495 -12.394 1.00 0.00 H new ATOM 0 HA SER A 27 -3.280 -2.101 -9.594 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.654 -3.621 -10.395 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.896 -3.649 -11.630 1.00 0.00 H new ATOM 0 HG SER A 27 -0.770 -3.428 -12.528 1.00 0.00 H new ATOM 385 N CYS A 28 -1.215 -0.795 -8.990 1.00 0.00 N ATOM 386 CA CYS A 28 -0.199 0.157 -8.558 1.00 0.00 C ATOM 387 C CYS A 28 1.145 -0.146 -9.214 1.00 0.00 C ATOM 388 O CYS A 28 1.503 -1.308 -9.410 1.00 0.00 O ATOM 389 CB CYS A 28 -0.055 0.125 -7.035 1.00 0.00 C ATOM 390 SG CYS A 28 1.095 1.372 -6.371 1.00 0.00 S ATOM 0 H CYS A 28 -1.470 -1.488 -8.286 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.516 1.153 -8.865 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.036 0.275 -6.585 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.286 -0.865 -6.734 1.00 0.00 H new ATOM 395 N SER A 29 1.884 0.906 -9.550 1.00 0.00 N ATOM 396 CA SER A 29 3.187 0.752 -10.187 1.00 0.00 C ATOM 397 C SER A 29 4.285 0.576 -9.143 1.00 0.00 C ATOM 398 O SER A 29 5.450 0.885 -9.392 1.00 0.00 O ATOM 399 CB SER A 29 3.494 1.966 -11.067 1.00 0.00 C ATOM 400 OG SER A 29 2.855 1.858 -12.327 1.00 0.00 O ATOM 0 H SER A 29 1.603 1.874 -9.392 1.00 0.00 H new ATOM 0 HA SER A 29 3.156 -0.142 -10.810 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.164 2.875 -10.565 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.571 2.053 -11.208 1.00 0.00 H new ATOM 0 HG SER A 29 1.947 2.222 -12.266 1.00 0.00 H new ATOM 406 N PHE A 30 3.904 0.076 -7.972 1.00 0.00 N ATOM 407 CA PHE A 30 4.855 -0.142 -6.888 1.00 0.00 C ATOM 408 C PHE A 30 5.390 -1.571 -6.913 1.00 0.00 C ATOM 409 O PHE A 30 4.836 -2.442 -7.583 1.00 0.00 O ATOM 410 CB PHE A 30 4.195 0.144 -5.538 1.00 0.00 C ATOM 411 CG PHE A 30 5.166 0.187 -4.393 1.00 0.00 C ATOM 412 CD1 PHE A 30 5.798 1.371 -4.047 1.00 0.00 C ATOM 413 CD2 PHE A 30 5.449 -0.957 -3.663 1.00 0.00 C ATOM 414 CE1 PHE A 30 6.692 1.414 -2.994 1.00 0.00 C ATOM 415 CE2 PHE A 30 6.342 -0.919 -2.609 1.00 0.00 C ATOM 416 CZ PHE A 30 6.965 0.267 -2.275 1.00 0.00 C ATOM 0 H PHE A 30 2.944 -0.186 -7.750 1.00 0.00 H new ATOM 0 HA PHE A 30 5.691 0.543 -7.028 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.670 1.097 -5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.445 -0.622 -5.340 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.589 2.271 -4.607 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.966 -1.888 -3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.177 2.343 -2.734 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.552 -1.817 -2.047 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.665 0.298 -1.453 1.00 0.00 H new ATOM 426 N LYS A 31 6.471 -1.804 -6.177 1.00 0.00 N ATOM 427 CA LYS A 31 7.083 -3.126 -6.113 1.00 0.00 C ATOM 428 C LYS A 31 6.656 -3.862 -4.847 1.00 0.00 C ATOM 429 O LYS A 31 7.273 -3.713 -3.793 1.00 0.00 O ATOM 430 CB LYS A 31 8.608 -3.007 -6.157 1.00 0.00 C ATOM 431 CG LYS A 31 9.327 -4.329 -5.946 1.00 0.00 C ATOM 432 CD LYS A 31 10.785 -4.243 -6.367 1.00 0.00 C ATOM 433 CE LYS A 31 11.647 -3.636 -5.271 1.00 0.00 C ATOM 434 NZ LYS A 31 11.757 -4.536 -4.089 1.00 0.00 N ATOM 0 H LYS A 31 6.942 -1.094 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 31 6.744 -3.698 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.904 -2.591 -7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.931 -2.301 -5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.267 -4.614 -4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.828 -5.111 -6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.154 -5.239 -6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.869 -3.641 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.642 -3.430 -5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.222 -2.681 -4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.599 -4.280 -3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.909 -4.435 -3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.840 -5.522 -4.410 1.00 0.00 H new ATOM 448 N GLY A 32 5.596 -4.657 -4.958 1.00 0.00 N ATOM 449 CA GLY A 32 5.107 -5.405 -3.815 1.00 0.00 C ATOM 450 C GLY A 32 4.046 -4.650 -3.040 1.00 0.00 C ATOM 451 O GLY A 32 4.013 -4.698 -1.810 1.00 0.00 O ATOM 0 H GLY A 32 5.067 -4.796 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.697 -6.356 -4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.941 -5.637 -3.152 1.00 0.00 H new ATOM 455 N CYS A 33 3.176 -3.948 -3.759 1.00 0.00 N ATOM 456 CA CYS A 33 2.110 -3.177 -3.131 1.00 0.00 C ATOM 457 C CYS A 33 0.754 -3.840 -3.356 1.00 0.00 C ATOM 458 O CYS A 33 -0.194 -3.612 -2.604 1.00 0.00 O ATOM 459 CB CYS A 33 2.090 -1.751 -3.685 1.00 0.00 C ATOM 460 SG CYS A 33 0.800 -0.689 -2.959 1.00 0.00 S ATOM 0 H CYS A 33 3.189 -3.897 -4.778 1.00 0.00 H new ATOM 0 HA CYS A 33 2.304 -3.141 -2.059 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.063 -1.292 -3.512 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.945 -1.794 -4.764 1.00 0.00 H new ATOM 465 N THR A 34 0.669 -4.663 -4.397 1.00 0.00 N ATOM 466 CA THR A 34 -0.569 -5.359 -4.722 1.00 0.00 C ATOM 467 C THR A 34 -1.786 -4.527 -4.333 1.00 0.00 C ATOM 468 O THR A 34 -2.665 -4.995 -3.610 1.00 0.00 O ATOM 469 CB THR A 34 -0.648 -6.725 -4.014 1.00 0.00 C ATOM 470 OG1 THR A 34 -0.447 -6.560 -2.606 1.00 0.00 O ATOM 471 CG2 THR A 34 0.392 -7.684 -4.571 1.00 0.00 C ATOM 0 H THR A 34 1.444 -4.863 -5.029 1.00 0.00 H new ATOM 0 HA THR A 34 -0.569 -5.516 -5.801 1.00 0.00 H new ATOM 0 HB THR A 34 -1.638 -7.145 -4.192 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.500 -7.433 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.317 -8.642 -4.056 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.218 -7.831 -5.637 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.388 -7.268 -4.420 1.00 0.00 H new ATOM 479 N ASP A 35 -1.830 -3.291 -4.817 1.00 0.00 N ATOM 480 CA ASP A 35 -2.941 -2.393 -4.522 1.00 0.00 C ATOM 481 C ASP A 35 -3.596 -1.898 -5.807 1.00 0.00 C ATOM 482 O ASP A 35 -2.936 -1.747 -6.835 1.00 0.00 O ATOM 483 CB ASP A 35 -2.456 -1.204 -3.691 1.00 0.00 C ATOM 484 CG ASP A 35 -2.234 -1.567 -2.236 1.00 0.00 C ATOM 485 OD1 ASP A 35 -2.681 -2.656 -1.820 1.00 0.00 O ATOM 486 OD2 ASP A 35 -1.611 -0.762 -1.513 1.00 0.00 O ATOM 0 H ASP A 35 -1.109 -2.888 -5.416 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.683 -2.949 -3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.526 -0.824 -4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.187 -0.398 -3.754 1.00 0.00 H new ATOM 491 N VAL A 36 -4.900 -1.648 -5.742 1.00 0.00 N ATOM 492 CA VAL A 36 -5.646 -1.170 -6.901 1.00 0.00 C ATOM 493 C VAL A 36 -6.619 -0.063 -6.510 1.00 0.00 C ATOM 494 O VAL A 36 -6.861 0.174 -5.327 1.00 0.00 O ATOM 495 CB VAL A 36 -6.428 -2.312 -7.575 1.00 0.00 C ATOM 496 CG1 VAL A 36 -5.472 -3.326 -8.186 1.00 0.00 C ATOM 497 CG2 VAL A 36 -7.360 -2.981 -6.577 1.00 0.00 C ATOM 0 H VAL A 36 -5.462 -1.768 -4.899 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.915 -0.775 -7.607 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.034 -1.890 -8.377 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.043 -4.126 -8.658 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.850 -2.835 -8.934 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.838 -3.745 -7.405 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.905 -3.786 -7.071 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.777 -3.390 -5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.068 -2.247 -6.192 1.00 0.00 H new ATOM 507 N GLU A 37 -7.175 0.610 -7.512 1.00 0.00 N ATOM 508 CA GLU A 37 -8.122 1.692 -7.272 1.00 0.00 C ATOM 509 C GLU A 37 -9.037 1.891 -8.477 1.00 0.00 C ATOM 510 O GLU A 37 -8.672 1.569 -9.608 1.00 0.00 O ATOM 511 CB GLU A 37 -7.378 2.992 -6.962 1.00 0.00 C ATOM 512 CG GLU A 37 -6.475 2.901 -5.744 1.00 0.00 C ATOM 513 CD GLU A 37 -7.248 2.665 -4.461 1.00 0.00 C ATOM 514 OE1 GLU A 37 -8.361 3.216 -4.330 1.00 0.00 O ATOM 515 OE2 GLU A 37 -6.740 1.929 -3.589 1.00 0.00 O ATOM 0 H GLU A 37 -6.986 0.425 -8.497 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.735 1.420 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.779 3.273 -7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.105 3.789 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.759 2.091 -5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.900 3.822 -5.653 1.00 0.00 H new ATOM 522 N LEU A 38 -10.228 2.424 -8.226 1.00 0.00 N ATOM 523 CA LEU A 38 -11.197 2.666 -9.289 1.00 0.00 C ATOM 524 C LEU A 38 -10.605 3.563 -10.371 1.00 0.00 C ATOM 525 O LEU A 38 -10.829 3.347 -11.563 1.00 0.00 O ATOM 526 CB LEU A 38 -12.463 3.306 -8.716 1.00 0.00 C ATOM 527 CG LEU A 38 -13.117 2.569 -7.547 1.00 0.00 C ATOM 528 CD1 LEU A 38 -13.832 3.550 -6.631 1.00 0.00 C ATOM 529 CD2 LEU A 38 -14.085 1.512 -8.057 1.00 0.00 C ATOM 0 H LEU A 38 -10.546 2.697 -7.296 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.454 1.707 -9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.220 4.318 -8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.196 3.396 -9.518 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.335 2.071 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.292 3.008 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.114 4.270 -6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.603 4.077 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.541 0.998 -7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.863 1.989 -8.654 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.546 0.791 -8.672 1.00 0.00 H new ATOM 541 N VAL A 39 -9.847 4.570 -9.949 1.00 0.00 N ATOM 542 CA VAL A 39 -9.220 5.498 -10.882 1.00 0.00 C ATOM 543 C VAL A 39 -7.741 5.177 -11.066 1.00 0.00 C ATOM 544 O VAL A 39 -7.167 4.394 -10.310 1.00 0.00 O ATOM 545 CB VAL A 39 -9.361 6.956 -10.403 1.00 0.00 C ATOM 546 CG1 VAL A 39 -10.828 7.346 -10.304 1.00 0.00 C ATOM 547 CG2 VAL A 39 -8.658 7.148 -9.068 1.00 0.00 C ATOM 0 H VAL A 39 -9.652 4.764 -8.967 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.735 5.384 -11.836 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.885 7.609 -11.135 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.908 8.379 -9.964 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.297 7.249 -11.283 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.332 6.690 -9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.768 8.183 -8.745 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.102 6.487 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.599 6.912 -9.177 1.00 0.00 H new ATOM 557 N ALA A 40 -7.130 5.786 -12.077 1.00 0.00 N ATOM 558 CA ALA A 40 -5.718 5.566 -12.360 1.00 0.00 C ATOM 559 C ALA A 40 -4.885 6.786 -11.979 1.00 0.00 C ATOM 560 O ALA A 40 -4.726 7.714 -12.772 1.00 0.00 O ATOM 561 CB ALA A 40 -5.520 5.228 -13.830 1.00 0.00 C ATOM 0 H ALA A 40 -7.591 6.436 -12.714 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.379 4.724 -11.756 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.460 5.066 -14.027 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.076 4.323 -14.073 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.881 6.052 -14.445 1.00 0.00 H new ATOM 567 N VAL A 41 -4.357 6.778 -10.759 1.00 0.00 N ATOM 568 CA VAL A 41 -3.540 7.884 -10.273 1.00 0.00 C ATOM 569 C VAL A 41 -2.172 7.894 -10.946 1.00 0.00 C ATOM 570 O VAL A 41 -1.259 7.180 -10.529 1.00 0.00 O ATOM 571 CB VAL A 41 -3.349 7.812 -8.747 1.00 0.00 C ATOM 572 CG1 VAL A 41 -2.470 8.956 -8.264 1.00 0.00 C ATOM 573 CG2 VAL A 41 -4.696 7.829 -8.040 1.00 0.00 C ATOM 0 H VAL A 41 -4.480 6.018 -10.089 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.071 8.803 -10.522 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.849 6.874 -8.505 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.346 8.889 -7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.494 8.893 -8.746 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.939 9.907 -8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.542 7.777 -6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.225 8.749 -8.287 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.287 6.972 -8.363 1.00 0.00 H new ATOM 583 N ILE A 42 -2.037 8.708 -11.987 1.00 0.00 N ATOM 584 CA ILE A 42 -0.779 8.812 -12.716 1.00 0.00 C ATOM 585 C ILE A 42 0.099 9.920 -12.143 1.00 0.00 C ATOM 586 O ILE A 42 -0.384 11.006 -11.823 1.00 0.00 O ATOM 587 CB ILE A 42 -1.017 9.084 -14.213 1.00 0.00 C ATOM 588 CG1 ILE A 42 -1.719 7.891 -14.865 1.00 0.00 C ATOM 589 CG2 ILE A 42 0.301 9.378 -14.914 1.00 0.00 C ATOM 590 CD1 ILE A 42 -0.979 6.583 -14.687 1.00 0.00 C ATOM 0 H ILE A 42 -2.783 9.305 -12.345 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.270 7.854 -12.605 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.661 9.958 -14.311 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.719 7.793 -14.443 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.840 8.089 -15.930 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.116 9.568 -15.971 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.765 10.255 -14.463 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.967 8.522 -14.810 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.534 5.782 -15.174 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.012 6.662 -15.134 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.881 6.362 -13.624 1.00 0.00 H new ATOM 602 N CYS A 43 1.391 9.637 -12.017 1.00 0.00 N ATOM 603 CA CYS A 43 2.338 10.609 -11.484 1.00 0.00 C ATOM 604 C CYS A 43 2.878 11.507 -12.593 1.00 0.00 C ATOM 605 O CYS A 43 3.434 11.041 -13.588 1.00 0.00 O ATOM 606 CB CYS A 43 3.495 9.894 -10.783 1.00 0.00 C ATOM 607 SG CYS A 43 4.638 11.010 -9.907 1.00 0.00 S ATOM 0 H CYS A 43 1.806 8.742 -12.277 1.00 0.00 H new ATOM 0 HA CYS A 43 1.812 11.232 -10.760 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.087 9.177 -10.070 1.00 0.00 H new ATOM 0 HB3 CYS A 43 4.057 9.323 -11.523 1.00 0.00 H new ATOM 612 N PRO A 44 2.713 12.827 -12.419 1.00 0.00 N ATOM 613 CA PRO A 44 3.177 13.818 -13.394 1.00 0.00 C ATOM 614 C PRO A 44 4.698 13.916 -13.441 1.00 0.00 C ATOM 615 O PRO A 44 5.253 14.774 -14.128 1.00 0.00 O ATOM 616 CB PRO A 44 2.572 15.128 -12.883 1.00 0.00 C ATOM 617 CG PRO A 44 2.380 14.912 -11.422 1.00 0.00 C ATOM 618 CD PRO A 44 2.059 13.453 -11.257 1.00 0.00 C ATOM 0 HA PRO A 44 2.877 13.562 -14.410 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.235 15.972 -13.075 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.626 15.347 -13.378 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.279 15.179 -10.867 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.572 15.535 -11.038 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.447 13.060 -10.317 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.984 13.275 -11.257 1.00 0.00 H new ATOM 626 N TYR A 45 5.366 13.033 -12.708 1.00 0.00 N ATOM 627 CA TYR A 45 6.823 13.022 -12.665 1.00 0.00 C ATOM 628 C TYR A 45 7.380 11.791 -13.374 1.00 0.00 C ATOM 629 O TYR A 45 8.123 11.905 -14.350 1.00 0.00 O ATOM 630 CB TYR A 45 7.312 13.054 -11.216 1.00 0.00 C ATOM 631 CG TYR A 45 6.855 14.274 -10.450 1.00 0.00 C ATOM 632 CD1 TYR A 45 5.529 14.421 -10.065 1.00 0.00 C ATOM 633 CD2 TYR A 45 7.751 15.281 -10.110 1.00 0.00 C ATOM 634 CE1 TYR A 45 5.107 15.535 -9.365 1.00 0.00 C ATOM 635 CE2 TYR A 45 7.339 16.397 -9.409 1.00 0.00 C ATOM 636 CZ TYR A 45 6.016 16.520 -9.039 1.00 0.00 C ATOM 637 OH TYR A 45 5.600 17.631 -8.341 1.00 0.00 O ATOM 0 H TYR A 45 4.922 12.315 -12.135 1.00 0.00 H new ATOM 0 HA TYR A 45 7.183 13.911 -13.183 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.959 12.160 -10.702 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.401 13.017 -11.208 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.815 13.651 -10.317 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.787 15.189 -10.399 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.071 15.634 -9.075 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.049 17.169 -9.152 1.00 0.00 H new ATOM 0 HH TYR A 45 6.363 18.228 -8.191 1.00 0.00 H new ATOM 647 N CYS A 46 7.014 10.614 -12.878 1.00 0.00 N ATOM 648 CA CYS A 46 7.475 9.360 -13.462 1.00 0.00 C ATOM 649 C CYS A 46 6.459 8.822 -14.465 1.00 0.00 C ATOM 650 O CYS A 46 6.712 7.830 -15.148 1.00 0.00 O ATOM 651 CB CYS A 46 7.723 8.323 -12.365 1.00 0.00 C ATOM 652 SG CYS A 46 6.326 8.107 -11.216 1.00 0.00 S ATOM 0 H CYS A 46 6.399 10.502 -12.072 1.00 0.00 H new ATOM 0 HA CYS A 46 8.410 9.554 -13.987 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.948 7.364 -12.831 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.605 8.616 -11.796 1.00 0.00 H new ATOM 657 N GLU A 47 5.309 9.484 -14.547 1.00 0.00 N ATOM 658 CA GLU A 47 4.255 9.071 -15.467 1.00 0.00 C ATOM 659 C GLU A 47 3.867 7.614 -15.231 1.00 0.00 C ATOM 660 O GLU A 47 3.744 6.832 -16.174 1.00 0.00 O ATOM 661 CB GLU A 47 4.708 9.262 -16.916 1.00 0.00 C ATOM 662 CG GLU A 47 4.620 10.701 -17.396 1.00 0.00 C ATOM 663 CD GLU A 47 5.350 10.924 -18.706 1.00 0.00 C ATOM 664 OE1 GLU A 47 4.900 10.378 -19.736 1.00 0.00 O ATOM 665 OE2 GLU A 47 6.371 11.643 -18.703 1.00 0.00 O ATOM 0 H GLU A 47 5.084 10.307 -13.989 1.00 0.00 H new ATOM 0 HA GLU A 47 3.381 9.696 -15.282 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.737 8.917 -17.015 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.098 8.633 -17.565 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.572 10.977 -17.517 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.037 11.360 -16.635 1.00 0.00 H new ATOM 672 N LYS A 48 3.677 7.255 -13.966 1.00 0.00 N ATOM 673 CA LYS A 48 3.303 5.893 -13.604 1.00 0.00 C ATOM 674 C LYS A 48 2.017 5.882 -12.784 1.00 0.00 C ATOM 675 O LYS A 48 1.699 6.852 -12.098 1.00 0.00 O ATOM 676 CB LYS A 48 4.431 5.226 -12.814 1.00 0.00 C ATOM 677 CG LYS A 48 5.687 4.983 -13.633 1.00 0.00 C ATOM 678 CD LYS A 48 6.487 3.810 -13.092 1.00 0.00 C ATOM 679 CE LYS A 48 7.936 3.864 -13.552 1.00 0.00 C ATOM 680 NZ LYS A 48 8.781 4.669 -12.627 1.00 0.00 N ATOM 0 H LYS A 48 3.776 7.889 -13.173 1.00 0.00 H new ATOM 0 HA LYS A 48 3.131 5.333 -14.523 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.682 5.851 -11.957 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.074 4.274 -12.421 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.414 4.791 -14.671 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.306 5.880 -13.627 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.450 3.814 -12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.034 2.876 -13.423 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.334 2.851 -13.619 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.984 4.292 -14.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.518 5.163 -13.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.188 5.367 -12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.228 4.040 -11.930 1.00 0.00 H new ATOM 694 N ASN A 49 1.282 4.777 -12.859 1.00 0.00 N ATOM 695 CA ASN A 49 0.031 4.639 -12.122 1.00 0.00 C ATOM 696 C ASN A 49 0.277 4.044 -10.739 1.00 0.00 C ATOM 697 O ASN A 49 0.949 3.022 -10.602 1.00 0.00 O ATOM 698 CB ASN A 49 -0.950 3.761 -12.901 1.00 0.00 C ATOM 699 CG ASN A 49 -2.313 3.692 -12.242 1.00 0.00 C ATOM 700 OD1 ASN A 49 -3.070 4.663 -12.252 1.00 0.00 O ATOM 701 ND2 ASN A 49 -2.633 2.540 -11.663 1.00 0.00 N ATOM 0 H ASN A 49 1.531 3.964 -13.423 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.401 5.632 -11.999 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.058 4.151 -13.913 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.541 2.755 -12.990 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.537 2.434 -11.203 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.975 1.761 -11.679 1.00 0.00 H new ATOM 708 N PHE A 50 -0.273 4.690 -9.717 1.00 0.00 N ATOM 709 CA PHE A 50 -0.114 4.225 -8.344 1.00 0.00 C ATOM 710 C PHE A 50 -1.443 4.272 -7.596 1.00 0.00 C ATOM 711 O PHE A 50 -2.447 4.754 -8.121 1.00 0.00 O ATOM 712 CB PHE A 50 0.926 5.077 -7.612 1.00 0.00 C ATOM 713 CG PHE A 50 2.237 5.178 -8.339 1.00 0.00 C ATOM 714 CD1 PHE A 50 3.210 4.205 -8.180 1.00 0.00 C ATOM 715 CD2 PHE A 50 2.495 6.248 -9.182 1.00 0.00 C ATOM 716 CE1 PHE A 50 4.416 4.297 -8.848 1.00 0.00 C ATOM 717 CE2 PHE A 50 3.700 6.345 -9.852 1.00 0.00 C ATOM 718 CZ PHE A 50 4.661 5.367 -9.686 1.00 0.00 C ATOM 0 H PHE A 50 -0.833 5.537 -9.813 1.00 0.00 H new ATOM 0 HA PHE A 50 0.229 3.191 -8.375 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.524 6.079 -7.464 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.100 4.654 -6.623 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.024 3.365 -7.527 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.746 7.014 -9.317 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.167 3.532 -8.715 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.890 7.184 -10.504 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.602 5.439 -10.211 1.00 0.00 H new ATOM 728 N CYS A 51 -1.441 3.768 -6.366 1.00 0.00 N ATOM 729 CA CYS A 51 -2.646 3.750 -5.545 1.00 0.00 C ATOM 730 C CYS A 51 -2.719 4.991 -4.661 1.00 0.00 C ATOM 731 O CYS A 51 -1.694 5.553 -4.273 1.00 0.00 O ATOM 732 CB CYS A 51 -2.678 2.490 -4.678 1.00 0.00 C ATOM 733 SG CYS A 51 -1.375 2.428 -3.407 1.00 0.00 S ATOM 0 H CYS A 51 -0.618 3.367 -5.916 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.510 3.747 -6.210 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.650 2.423 -4.190 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.584 1.616 -5.323 1.00 0.00 H new ATOM 738 N LEU A 52 -3.938 5.414 -4.345 1.00 0.00 N ATOM 739 CA LEU A 52 -4.147 6.589 -3.506 1.00 0.00 C ATOM 740 C LEU A 52 -3.111 6.651 -2.388 1.00 0.00 C ATOM 741 O LEU A 52 -2.603 7.723 -2.058 1.00 0.00 O ATOM 742 CB LEU A 52 -5.556 6.571 -2.911 1.00 0.00 C ATOM 743 CG LEU A 52 -6.648 7.236 -3.749 1.00 0.00 C ATOM 744 CD1 LEU A 52 -6.313 8.698 -3.999 1.00 0.00 C ATOM 745 CD2 LEU A 52 -6.833 6.497 -5.067 1.00 0.00 C ATOM 0 H LEU A 52 -4.797 4.961 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.034 7.475 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.841 5.534 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.524 7.061 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.585 7.189 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.102 9.155 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.231 9.221 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.366 8.768 -4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.614 6.984 -5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.898 6.513 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.119 5.464 -4.868 1.00 0.00 H new ATOM 757 N ARG A 53 -2.800 5.495 -1.812 1.00 0.00 N ATOM 758 CA ARG A 53 -1.824 5.418 -0.732 1.00 0.00 C ATOM 759 C ARG A 53 -0.435 5.811 -1.226 1.00 0.00 C ATOM 760 O ARG A 53 0.308 6.507 -0.533 1.00 0.00 O ATOM 761 CB ARG A 53 -1.788 4.004 -0.148 1.00 0.00 C ATOM 762 CG ARG A 53 -3.027 3.645 0.656 1.00 0.00 C ATOM 763 CD ARG A 53 -3.046 4.361 1.997 1.00 0.00 C ATOM 764 NE ARG A 53 -1.941 3.945 2.856 1.00 0.00 N ATOM 765 CZ ARG A 53 -1.582 4.594 3.958 1.00 0.00 C ATOM 766 NH1 ARG A 53 -2.238 5.683 4.334 1.00 0.00 N ATOM 767 NH2 ARG A 53 -0.565 4.153 4.688 1.00 0.00 N ATOM 0 H ARG A 53 -3.210 4.599 -2.075 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.126 6.118 0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.673 3.287 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.910 3.906 0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.920 3.909 0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.058 2.567 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.993 5.437 1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.992 4.161 2.501 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.416 3.110 2.596 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.021 6.025 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.960 6.179 5.181 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.058 3.315 4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.290 4.652 5.534 1.00 0.00 H new ATOM 781 N HIS A 54 -0.090 5.360 -2.428 1.00 0.00 N ATOM 782 CA HIS A 54 1.210 5.665 -3.015 1.00 0.00 C ATOM 783 C HIS A 54 1.072 6.685 -4.141 1.00 0.00 C ATOM 784 O HIS A 54 1.840 6.670 -5.102 1.00 0.00 O ATOM 785 CB HIS A 54 1.866 4.389 -3.544 1.00 0.00 C ATOM 786 CG HIS A 54 2.165 3.382 -2.477 1.00 0.00 C ATOM 787 ND1 HIS A 54 2.429 2.056 -2.747 1.00 0.00 N ATOM 788 CD2 HIS A 54 2.243 3.514 -1.132 1.00 0.00 C ATOM 789 CE1 HIS A 54 2.655 1.415 -1.614 1.00 0.00 C ATOM 790 NE2 HIS A 54 2.549 2.277 -0.619 1.00 0.00 N ATOM 0 H HIS A 54 -0.692 4.782 -3.014 1.00 0.00 H new ATOM 0 HA HIS A 54 1.841 6.093 -2.236 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.211 3.935 -4.287 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.793 4.652 -4.054 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.093 4.422 -0.568 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.887 0.365 -1.518 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.674 2.060 0.370 1.00 0.00 H new ATOM 798 N ARG A 55 0.087 7.569 -4.014 1.00 0.00 N ATOM 799 CA ARG A 55 -0.152 8.595 -5.022 1.00 0.00 C ATOM 800 C ARG A 55 0.956 9.643 -5.005 1.00 0.00 C ATOM 801 O ARG A 55 1.341 10.173 -6.048 1.00 0.00 O ATOM 802 CB ARG A 55 -1.507 9.266 -4.785 1.00 0.00 C ATOM 803 CG ARG A 55 -1.484 10.313 -3.684 1.00 0.00 C ATOM 804 CD ARG A 55 -2.803 11.064 -3.602 1.00 0.00 C ATOM 805 NE ARG A 55 -2.631 12.420 -3.088 1.00 0.00 N ATOM 806 CZ ARG A 55 -3.566 13.360 -3.164 1.00 0.00 C ATOM 807 NH1 ARG A 55 -4.735 13.092 -3.730 1.00 0.00 N ATOM 808 NH2 ARG A 55 -3.334 14.571 -2.673 1.00 0.00 N ATOM 0 H ARG A 55 -0.558 7.595 -3.224 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.158 8.114 -6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.839 9.733 -5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.242 8.502 -4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.278 9.832 -2.728 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.673 11.018 -3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.258 11.107 -4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.492 10.517 -2.958 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.743 12.658 -2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.917 12.162 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.452 13.816 -3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.436 14.781 -2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.053 15.292 -2.732 1.00 0.00 H new ATOM 822 N HIS A 56 1.466 9.939 -3.813 1.00 0.00 N ATOM 823 CA HIS A 56 2.531 10.924 -3.660 1.00 0.00 C ATOM 824 C HIS A 56 3.825 10.429 -4.298 1.00 0.00 C ATOM 825 O HIS A 56 3.952 9.251 -4.631 1.00 0.00 O ATOM 826 CB HIS A 56 2.763 11.230 -2.180 1.00 0.00 C ATOM 827 CG HIS A 56 1.579 11.848 -1.503 1.00 0.00 C ATOM 828 ND1 HIS A 56 0.743 11.148 -0.659 1.00 0.00 N ATOM 829 CD2 HIS A 56 1.092 13.110 -1.549 1.00 0.00 C ATOM 830 CE1 HIS A 56 -0.206 11.952 -0.216 1.00 0.00 C ATOM 831 NE2 HIS A 56 -0.017 13.149 -0.741 1.00 0.00 N ATOM 0 H HIS A 56 1.159 9.511 -2.940 1.00 0.00 H new ATOM 0 HA HIS A 56 2.223 11.838 -4.168 1.00 0.00 H new ATOM 0 HB2 HIS A 56 3.025 10.307 -1.663 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.616 11.902 -2.086 1.00 0.00 H new ATOM 0 HD1 HIS A 56 0.842 10.163 -0.415 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.500 13.933 -2.116 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.002 11.677 0.461 1.00 0.00 H new ATOM 839 N GLN A 57 4.781 11.336 -4.467 1.00 0.00 N ATOM 840 CA GLN A 57 6.065 10.991 -5.067 1.00 0.00 C ATOM 841 C GLN A 57 6.918 10.179 -4.097 1.00 0.00 C ATOM 842 O GLN A 57 7.118 8.980 -4.286 1.00 0.00 O ATOM 843 CB GLN A 57 6.813 12.258 -5.486 1.00 0.00 C ATOM 844 CG GLN A 57 6.362 12.815 -6.826 1.00 0.00 C ATOM 845 CD GLN A 57 7.143 14.047 -7.239 1.00 0.00 C ATOM 846 OE1 GLN A 57 6.748 15.175 -6.942 1.00 0.00 O ATOM 847 NE2 GLN A 57 8.260 13.837 -7.927 1.00 0.00 N ATOM 0 H GLN A 57 4.691 12.316 -4.197 1.00 0.00 H new ATOM 0 HA GLN A 57 5.873 10.382 -5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.676 13.021 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.880 12.041 -5.533 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.473 12.046 -7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.302 13.062 -6.774 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.550 12.885 -8.151 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.828 14.628 -8.231 1.00 0.00 H new ATOM 856 N SER A 58 7.419 10.842 -3.060 1.00 0.00 N ATOM 857 CA SER A 58 8.255 10.183 -2.063 1.00 0.00 C ATOM 858 C SER A 58 7.623 8.872 -1.605 1.00 0.00 C ATOM 859 O SER A 58 8.315 7.875 -1.401 1.00 0.00 O ATOM 860 CB SER A 58 8.473 11.104 -0.861 1.00 0.00 C ATOM 861 OG SER A 58 9.179 10.437 0.171 1.00 0.00 O ATOM 0 H SER A 58 7.261 11.835 -2.888 1.00 0.00 H new ATOM 0 HA SER A 58 9.219 9.961 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.028 11.989 -1.173 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.510 11.448 -0.483 1.00 0.00 H new ATOM 0 HG SER A 58 9.307 11.047 0.927 1.00 0.00 H new ATOM 867 N ASP A 59 6.304 8.882 -1.447 1.00 0.00 N ATOM 868 CA ASP A 59 5.577 7.694 -1.015 1.00 0.00 C ATOM 869 C ASP A 59 6.014 6.470 -1.812 1.00 0.00 C ATOM 870 O ASP A 59 6.373 5.439 -1.241 1.00 0.00 O ATOM 871 CB ASP A 59 4.070 7.908 -1.169 1.00 0.00 C ATOM 872 CG ASP A 59 3.446 8.539 0.060 1.00 0.00 C ATOM 873 OD1 ASP A 59 4.203 9.009 0.934 1.00 0.00 O ATOM 874 OD2 ASP A 59 2.200 8.562 0.147 1.00 0.00 O ATOM 0 H ASP A 59 5.717 9.699 -1.612 1.00 0.00 H new ATOM 0 HA ASP A 59 5.806 7.521 0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.883 8.543 -2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.588 6.950 -1.366 1.00 0.00 H new ATOM 879 N HIS A 60 5.979 6.588 -3.136 1.00 0.00 N ATOM 880 CA HIS A 60 6.372 5.490 -4.012 1.00 0.00 C ATOM 881 C HIS A 60 7.836 5.617 -4.420 1.00 0.00 C ATOM 882 O HIS A 60 8.259 5.062 -5.434 1.00 0.00 O ATOM 883 CB HIS A 60 5.484 5.462 -5.257 1.00 0.00 C ATOM 884 CG HIS A 60 5.608 6.687 -6.109 1.00 0.00 C ATOM 885 ND1 HIS A 60 4.547 7.523 -6.384 1.00 0.00 N ATOM 886 CD2 HIS A 60 6.678 7.217 -6.748 1.00 0.00 C ATOM 887 CE1 HIS A 60 4.958 8.513 -7.156 1.00 0.00 C ATOM 888 NE2 HIS A 60 6.247 8.351 -7.391 1.00 0.00 N ATOM 0 H HIS A 60 5.683 7.433 -3.625 1.00 0.00 H new ATOM 0 HA HIS A 60 6.247 4.557 -3.463 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.738 4.587 -5.855 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.445 5.347 -4.949 1.00 0.00 H new ATOM 0 HD1 HIS A 60 3.593 7.397 -6.044 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.683 6.821 -6.751 1.00 0.00 H new ATOM 0 HE1 HIS A 60 4.344 9.318 -7.531 1.00 0.00 H new ATOM 896 N ASP A 61 8.606 6.351 -3.624 1.00 0.00 N ATOM 897 CA ASP A 61 10.023 6.551 -3.901 1.00 0.00 C ATOM 898 C ASP A 61 10.234 7.029 -5.335 1.00 0.00 C ATOM 899 O ASP A 61 11.036 6.462 -6.078 1.00 0.00 O ATOM 900 CB ASP A 61 10.799 5.254 -3.663 1.00 0.00 C ATOM 901 CG ASP A 61 10.339 4.525 -2.416 1.00 0.00 C ATOM 902 OD1 ASP A 61 10.515 5.074 -1.308 1.00 0.00 O ATOM 903 OD2 ASP A 61 9.801 3.406 -2.549 1.00 0.00 O ATOM 0 H ASP A 61 8.272 6.818 -2.781 1.00 0.00 H new ATOM 0 HA ASP A 61 10.396 7.318 -3.223 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.681 4.600 -4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.862 5.480 -3.577 1.00 0.00 H new ATOM 908 N CYS A 62 9.509 8.074 -5.717 1.00 0.00 N ATOM 909 CA CYS A 62 9.614 8.628 -7.062 1.00 0.00 C ATOM 910 C CYS A 62 11.075 8.773 -7.477 1.00 0.00 C ATOM 911 O CYS A 62 11.854 9.457 -6.814 1.00 0.00 O ATOM 912 CB CYS A 62 8.915 9.987 -7.132 1.00 0.00 C ATOM 913 SG CYS A 62 8.455 10.500 -8.818 1.00 0.00 S ATOM 0 H CYS A 62 8.842 8.555 -5.114 1.00 0.00 H new ATOM 0 HA CYS A 62 9.125 7.940 -7.751 1.00 0.00 H new ATOM 0 HB2 CYS A 62 8.016 9.954 -6.516 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.570 10.743 -6.700 1.00 0.00 H new ATOM 918 N GLU A 63 11.439 8.123 -8.578 1.00 0.00 N ATOM 919 CA GLU A 63 12.806 8.179 -9.082 1.00 0.00 C ATOM 920 C GLU A 63 13.166 9.595 -9.523 1.00 0.00 C ATOM 921 O GLU A 63 14.256 10.090 -9.234 1.00 0.00 O ATOM 922 CB GLU A 63 12.983 7.209 -10.251 1.00 0.00 C ATOM 923 CG GLU A 63 12.130 7.551 -11.461 1.00 0.00 C ATOM 924 CD GLU A 63 12.367 6.610 -12.626 1.00 0.00 C ATOM 925 OE1 GLU A 63 13.372 6.797 -13.344 1.00 0.00 O ATOM 926 OE2 GLU A 63 11.548 5.688 -12.821 1.00 0.00 O ATOM 0 H GLU A 63 10.806 7.552 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 63 13.476 7.887 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.032 7.199 -10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.736 6.201 -9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.077 7.518 -11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.344 8.573 -11.775 1.00 0.00 H new ATOM 933 N LYS A 64 12.242 10.243 -10.224 1.00 0.00 N ATOM 934 CA LYS A 64 12.459 11.602 -10.706 1.00 0.00 C ATOM 935 C LYS A 64 13.011 12.490 -9.596 1.00 0.00 C ATOM 936 O LYS A 64 13.863 13.346 -9.838 1.00 0.00 O ATOM 937 CB LYS A 64 11.151 12.190 -11.241 1.00 0.00 C ATOM 938 CG LYS A 64 10.628 11.481 -12.479 1.00 0.00 C ATOM 939 CD LYS A 64 11.492 11.772 -13.695 1.00 0.00 C ATOM 940 CE LYS A 64 11.105 13.089 -14.351 1.00 0.00 C ATOM 941 NZ LYS A 64 11.875 14.234 -13.792 1.00 0.00 N ATOM 0 H LYS A 64 11.335 9.848 -10.471 1.00 0.00 H new ATOM 0 HA LYS A 64 13.190 11.563 -11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.394 12.143 -10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.304 13.244 -11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.601 10.406 -12.300 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.604 11.797 -12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.540 11.806 -13.398 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.391 10.961 -14.417 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.279 13.024 -15.425 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.039 13.265 -14.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.224 14.890 -13.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.574 13.881 -13.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.366 14.732 -14.562 1.00 0.00 H new ATOM 955 N LEU A 65 12.522 12.281 -8.378 1.00 0.00 N ATOM 956 CA LEU A 65 12.968 13.063 -7.230 1.00 0.00 C ATOM 957 C LEU A 65 14.491 13.114 -7.164 1.00 0.00 C ATOM 958 O LEU A 65 15.177 12.513 -7.990 1.00 0.00 O ATOM 959 CB LEU A 65 12.409 12.469 -5.936 1.00 0.00 C ATOM 960 CG LEU A 65 10.952 12.806 -5.617 1.00 0.00 C ATOM 961 CD1 LEU A 65 10.421 11.893 -4.522 1.00 0.00 C ATOM 962 CD2 LEU A 65 10.820 14.265 -5.207 1.00 0.00 C ATOM 0 H LEU A 65 11.817 11.577 -8.160 1.00 0.00 H new ATOM 0 HA LEU A 65 12.594 14.080 -7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.508 11.385 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.029 12.808 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 65 10.357 12.646 -6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.383 12.147 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.480 10.856 -4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.019 12.021 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.777 14.487 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.428 14.451 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.161 14.904 -6.022 1.00 0.00 H new ATOM 974 N GLU A 66 15.012 13.833 -6.175 1.00 0.00 N ATOM 975 CA GLU A 66 16.454 13.960 -6.001 1.00 0.00 C ATOM 976 C GLU A 66 17.020 12.755 -5.255 1.00 0.00 C ATOM 977 O GLU A 66 17.864 12.899 -4.371 1.00 0.00 O ATOM 978 CB GLU A 66 16.787 15.246 -5.243 1.00 0.00 C ATOM 979 CG GLU A 66 16.225 15.283 -3.831 1.00 0.00 C ATOM 980 CD GLU A 66 16.366 16.647 -3.183 1.00 0.00 C ATOM 981 OE1 GLU A 66 17.363 17.342 -3.472 1.00 0.00 O ATOM 982 OE2 GLU A 66 15.479 17.019 -2.386 1.00 0.00 O ATOM 0 H GLU A 66 14.457 14.336 -5.482 1.00 0.00 H new ATOM 0 HA GLU A 66 16.912 14.001 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.870 15.361 -5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 66 16.400 16.098 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 66 15.172 15.004 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.738 14.540 -3.220 1.00 0.00 H new ATOM 989 N VAL A 67 16.548 11.567 -5.618 1.00 0.00 N ATOM 990 CA VAL A 67 17.007 10.336 -4.985 1.00 0.00 C ATOM 991 C VAL A 67 17.330 9.270 -6.025 1.00 0.00 C ATOM 992 O VAL A 67 16.434 8.727 -6.671 1.00 0.00 O ATOM 993 CB VAL A 67 15.954 9.782 -4.007 1.00 0.00 C ATOM 994 CG1 VAL A 67 16.440 8.486 -3.376 1.00 0.00 C ATOM 995 CG2 VAL A 67 15.624 10.813 -2.939 1.00 0.00 C ATOM 0 H VAL A 67 15.848 11.431 -6.347 1.00 0.00 H new ATOM 0 HA VAL A 67 17.912 10.584 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 67 15.043 9.567 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.683 8.110 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 67 16.621 7.747 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 67 17.365 8.671 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 67 14.878 10.404 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 67 16.527 11.062 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 67 15.229 11.713 -3.411 1.00 0.00 H new ATOM 1005 N ALA A 68 18.616 8.973 -6.181 1.00 0.00 N ATOM 1006 CA ALA A 68 19.057 7.970 -7.141 1.00 0.00 C ATOM 1007 C ALA A 68 20.249 7.183 -6.605 1.00 0.00 C ATOM 1008 O ALA A 68 21.345 7.722 -6.455 1.00 0.00 O ATOM 1009 CB ALA A 68 19.410 8.627 -8.467 1.00 0.00 C ATOM 0 H ALA A 68 19.370 9.413 -5.654 1.00 0.00 H new ATOM 0 HA ALA A 68 18.236 7.271 -7.301 1.00 0.00 H new ATOM 0 HB1 ALA A 68 19.738 7.865 -9.175 1.00 0.00 H new ATOM 0 HB2 ALA A 68 18.533 9.138 -8.865 1.00 0.00 H new ATOM 0 HB3 ALA A 68 20.212 9.349 -8.313 1.00 0.00 H new ATOM 1015 N LYS A 69 20.027 5.905 -6.317 1.00 0.00 N ATOM 1016 CA LYS A 69 21.082 5.043 -5.797 1.00 0.00 C ATOM 1017 C LYS A 69 21.190 3.762 -6.617 1.00 0.00 C ATOM 1018 O LYS A 69 20.197 3.091 -6.900 1.00 0.00 O ATOM 1019 CB LYS A 69 20.813 4.701 -4.330 1.00 0.00 C ATOM 1020 CG LYS A 69 19.463 4.045 -4.096 1.00 0.00 C ATOM 1021 CD LYS A 69 19.043 4.137 -2.639 1.00 0.00 C ATOM 1022 CE LYS A 69 19.659 3.021 -1.809 1.00 0.00 C ATOM 1023 NZ LYS A 69 21.028 3.370 -1.338 1.00 0.00 N ATOM 0 H LYS A 69 19.125 5.443 -6.435 1.00 0.00 H new ATOM 0 HA LYS A 69 22.027 5.582 -5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 69 21.598 4.035 -3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 69 20.872 5.613 -3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.711 4.524 -4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 69 19.509 2.998 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 69 19.344 5.103 -2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 69 17.956 4.087 -2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 69 19.021 2.813 -0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 69 19.701 2.108 -2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 21.733 2.898 -1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 21.161 4.400 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 21.147 3.055 -0.354 1.00 0.00 H new ATOM 1037 N PRO A 70 22.425 3.411 -7.008 1.00 0.00 N ATOM 1038 CA PRO A 70 22.692 2.207 -7.799 1.00 0.00 C ATOM 1039 C PRO A 70 22.476 0.927 -6.998 1.00 0.00 C ATOM 1040 O PRO A 70 22.649 -0.177 -7.515 1.00 0.00 O ATOM 1041 CB PRO A 70 24.167 2.354 -8.183 1.00 0.00 C ATOM 1042 CG PRO A 70 24.750 3.220 -7.119 1.00 0.00 C ATOM 1043 CD PRO A 70 23.654 4.163 -6.706 1.00 0.00 C ATOM 0 HA PRO A 70 22.021 2.124 -8.654 1.00 0.00 H new ATOM 0 HB2 PRO A 70 24.665 1.385 -8.222 1.00 0.00 H new ATOM 0 HB3 PRO A 70 24.277 2.808 -9.168 1.00 0.00 H new ATOM 0 HG2 PRO A 70 25.091 2.623 -6.273 1.00 0.00 H new ATOM 0 HG3 PRO A 70 25.616 3.767 -7.492 1.00 0.00 H new ATOM 0 HD2 PRO A 70 23.720 4.417 -5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 70 23.699 5.099 -7.262 1.00 0.00 H new ATOM 1051 N ARG A 71 22.097 1.083 -5.734 1.00 0.00 N ATOM 1052 CA ARG A 71 21.858 -0.061 -4.862 1.00 0.00 C ATOM 1053 C ARG A 71 20.453 -0.619 -5.069 1.00 0.00 C ATOM 1054 O ARG A 71 19.537 -0.322 -4.303 1.00 0.00 O ATOM 1055 CB ARG A 71 22.048 0.339 -3.397 1.00 0.00 C ATOM 1056 CG ARG A 71 23.449 0.835 -3.078 1.00 0.00 C ATOM 1057 CD ARG A 71 24.435 -0.317 -2.966 1.00 0.00 C ATOM 1058 NE ARG A 71 24.158 -1.165 -1.810 1.00 0.00 N ATOM 1059 CZ ARG A 71 24.989 -2.103 -1.370 1.00 0.00 C ATOM 1060 NH1 ARG A 71 26.145 -2.311 -1.986 1.00 0.00 N ATOM 1061 NH2 ARG A 71 24.666 -2.834 -0.311 1.00 0.00 N ATOM 0 H ARG A 71 21.949 1.990 -5.291 1.00 0.00 H new ATOM 0 HA ARG A 71 22.580 -0.837 -5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 71 21.330 1.119 -3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 71 21.822 -0.518 -2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 71 23.779 1.523 -3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 71 23.434 1.395 -2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 71 24.395 -0.918 -3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 71 25.448 0.079 -2.891 1.00 0.00 H new ATOM 0 HE ARG A 71 23.278 -1.030 -1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 71 26.398 -1.750 -2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 71 26.781 -3.032 -1.646 1.00 0.00 H new ATOM 0 HH21 ARG A 71 23.779 -2.676 0.166 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.305 -3.554 0.026 1.00 0.00 H new ATOM 1075 N MET A 72 20.291 -1.428 -6.111 1.00 0.00 N ATOM 1076 CA MET A 72 18.998 -2.028 -6.419 1.00 0.00 C ATOM 1077 C MET A 72 19.116 -3.007 -7.583 1.00 0.00 C ATOM 1078 O MET A 72 19.997 -2.872 -8.432 1.00 0.00 O ATOM 1079 CB MET A 72 17.974 -0.941 -6.753 1.00 0.00 C ATOM 1080 CG MET A 72 18.320 -0.143 -8.000 1.00 0.00 C ATOM 1081 SD MET A 72 17.158 1.200 -8.310 1.00 0.00 S ATOM 1082 CE MET A 72 17.938 2.009 -9.704 1.00 0.00 C ATOM 0 H MET A 72 21.039 -1.683 -6.756 1.00 0.00 H new ATOM 0 HA MET A 72 18.661 -2.576 -5.539 1.00 0.00 H new ATOM 0 HB2 MET A 72 16.996 -1.403 -6.887 1.00 0.00 H new ATOM 0 HB3 MET A 72 17.891 -0.259 -5.907 1.00 0.00 H new ATOM 0 HG2 MET A 72 19.324 0.267 -7.897 1.00 0.00 H new ATOM 0 HG3 MET A 72 18.336 -0.811 -8.861 1.00 0.00 H new ATOM 0 HE1 MET A 72 17.336 2.863 -10.013 1.00 0.00 H new ATOM 0 HE2 MET A 72 18.932 2.351 -9.417 1.00 0.00 H new ATOM 0 HE3 MET A 72 18.022 1.306 -10.533 1.00 0.00 H new ATOM 1092 N ALA A 73 18.224 -3.991 -7.616 1.00 0.00 N ATOM 1093 CA ALA A 73 18.227 -4.991 -8.676 1.00 0.00 C ATOM 1094 C ALA A 73 17.259 -4.612 -9.792 1.00 0.00 C ATOM 1095 O ALA A 73 16.045 -4.755 -9.648 1.00 0.00 O ATOM 1096 CB ALA A 73 17.877 -6.359 -8.112 1.00 0.00 C ATOM 0 H ALA A 73 17.489 -4.117 -6.920 1.00 0.00 H new ATOM 0 HA ALA A 73 19.230 -5.032 -9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 73 17.883 -7.096 -8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.611 -6.640 -7.356 1.00 0.00 H new ATOM 0 HB3 ALA A 73 16.886 -6.323 -7.660 1.00 0.00 H new ATOM 1102 N ALA A 74 17.803 -4.126 -10.903 1.00 0.00 N ATOM 1103 CA ALA A 74 16.987 -3.728 -12.043 1.00 0.00 C ATOM 1104 C ALA A 74 16.829 -4.877 -13.033 1.00 0.00 C ATOM 1105 O ALA A 74 17.700 -5.111 -13.872 1.00 0.00 O ATOM 1106 CB ALA A 74 17.596 -2.515 -12.730 1.00 0.00 C ATOM 0 H ALA A 74 18.806 -3.998 -11.038 1.00 0.00 H new ATOM 0 HA ALA A 74 15.996 -3.463 -11.674 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.976 -2.229 -13.580 1.00 0.00 H new ATOM 0 HB2 ALA A 74 17.650 -1.686 -12.024 1.00 0.00 H new ATOM 0 HB3 ALA A 74 18.599 -2.760 -13.079 1.00 0.00 H new ATOM 1112 N THR A 75 15.713 -5.592 -12.931 1.00 0.00 N ATOM 1113 CA THR A 75 15.443 -6.717 -13.816 1.00 0.00 C ATOM 1114 C THR A 75 14.213 -6.456 -14.678 1.00 0.00 C ATOM 1115 O THR A 75 13.234 -5.870 -14.216 1.00 0.00 O ATOM 1116 CB THR A 75 15.231 -8.019 -13.021 1.00 0.00 C ATOM 1117 OG1 THR A 75 14.281 -7.804 -11.972 1.00 0.00 O ATOM 1118 CG2 THR A 75 16.544 -8.512 -12.430 1.00 0.00 C ATOM 0 H THR A 75 14.981 -5.411 -12.244 1.00 0.00 H new ATOM 0 HA THR A 75 16.316 -6.830 -14.458 1.00 0.00 H new ATOM 0 HB THR A 75 14.851 -8.778 -13.705 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.151 -8.637 -11.473 1.00 0.00 H new ATOM 0 HG21 THR A 75 16.369 -9.433 -11.873 1.00 0.00 H new ATOM 0 HG22 THR A 75 17.255 -8.703 -13.233 1.00 0.00 H new ATOM 0 HG23 THR A 75 16.949 -7.754 -11.760 1.00 0.00 H new ATOM 1126 N GLN A 76 14.270 -6.894 -15.931 1.00 0.00 N ATOM 1127 CA GLN A 76 13.159 -6.707 -16.857 1.00 0.00 C ATOM 1128 C GLN A 76 11.842 -7.142 -16.222 1.00 0.00 C ATOM 1129 O GLN A 76 11.796 -8.113 -15.467 1.00 0.00 O ATOM 1130 CB GLN A 76 13.403 -7.494 -18.146 1.00 0.00 C ATOM 1131 CG GLN A 76 12.674 -6.925 -19.353 1.00 0.00 C ATOM 1132 CD GLN A 76 13.385 -7.225 -20.658 1.00 0.00 C ATOM 1133 OE1 GLN A 76 14.224 -8.123 -20.729 1.00 0.00 O ATOM 1134 NE2 GLN A 76 13.053 -6.472 -21.700 1.00 0.00 N ATOM 0 H GLN A 76 15.073 -7.381 -16.329 1.00 0.00 H new ATOM 0 HA GLN A 76 13.093 -5.646 -17.096 1.00 0.00 H new ATOM 0 HB2 GLN A 76 14.473 -7.513 -18.354 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.089 -8.527 -17.996 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.665 -7.336 -19.390 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.575 -5.846 -19.237 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.352 -5.738 -21.596 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.499 -6.627 -22.604 1.00 0.00 H new ATOM 1143 N LYS A 77 10.773 -6.418 -16.534 1.00 0.00 N ATOM 1144 CA LYS A 77 9.454 -6.729 -15.996 1.00 0.00 C ATOM 1145 C LYS A 77 8.364 -5.994 -16.769 1.00 0.00 C ATOM 1146 O LYS A 77 8.652 -5.148 -17.617 1.00 0.00 O ATOM 1147 CB LYS A 77 9.384 -6.355 -14.514 1.00 0.00 C ATOM 1148 CG LYS A 77 9.510 -4.863 -14.256 1.00 0.00 C ATOM 1149 CD LYS A 77 8.154 -4.178 -14.273 1.00 0.00 C ATOM 1150 CE LYS A 77 8.281 -2.698 -14.599 1.00 0.00 C ATOM 1151 NZ LYS A 77 8.832 -1.923 -13.453 1.00 0.00 N ATOM 0 H LYS A 77 10.794 -5.611 -17.157 1.00 0.00 H new ATOM 0 HA LYS A 77 9.289 -7.801 -16.102 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.438 -6.708 -14.103 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.178 -6.876 -13.979 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.989 -4.699 -13.291 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.154 -4.415 -15.012 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.511 -4.660 -15.009 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.673 -4.298 -13.302 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.928 -2.572 -15.467 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.303 -2.300 -14.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.903 -0.919 -13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.202 -2.023 -12.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.776 -2.285 -13.211 1.00 0.00 H new ATOM 1165 N LEU A 78 7.111 -6.319 -16.469 1.00 0.00 N ATOM 1166 CA LEU A 78 5.977 -5.688 -17.135 1.00 0.00 C ATOM 1167 C LEU A 78 4.894 -5.314 -16.128 1.00 0.00 C ATOM 1168 O LEU A 78 4.724 -5.980 -15.107 1.00 0.00 O ATOM 1169 CB LEU A 78 5.399 -6.623 -18.198 1.00 0.00 C ATOM 1170 CG LEU A 78 4.697 -7.878 -17.679 1.00 0.00 C ATOM 1171 CD1 LEU A 78 3.214 -7.612 -17.468 1.00 0.00 C ATOM 1172 CD2 LEU A 78 4.900 -9.040 -18.640 1.00 0.00 C ATOM 0 H LEU A 78 6.855 -7.015 -15.769 1.00 0.00 H new ATOM 0 HA LEU A 78 6.331 -4.776 -17.616 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.690 -6.058 -18.803 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.208 -6.931 -18.860 1.00 0.00 H new ATOM 0 HG LEU A 78 5.138 -8.146 -16.719 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.731 -8.517 -17.098 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.088 -6.810 -16.740 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.759 -7.318 -18.414 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.393 -9.924 -18.254 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.487 -8.782 -19.615 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.965 -9.247 -18.740 1.00 0.00 H new ATOM 1184 N VAL A 79 4.161 -4.245 -16.424 1.00 0.00 N ATOM 1185 CA VAL A 79 3.092 -3.784 -15.546 1.00 0.00 C ATOM 1186 C VAL A 79 1.746 -3.807 -16.261 1.00 0.00 C ATOM 1187 O VAL A 79 1.561 -3.143 -17.282 1.00 0.00 O ATOM 1188 CB VAL A 79 3.363 -2.357 -15.033 1.00 0.00 C ATOM 1189 CG1 VAL A 79 3.483 -1.384 -16.196 1.00 0.00 C ATOM 1190 CG2 VAL A 79 2.267 -1.920 -14.072 1.00 0.00 C ATOM 0 H VAL A 79 4.288 -3.682 -17.265 1.00 0.00 H new ATOM 0 HA VAL A 79 3.062 -4.468 -14.698 1.00 0.00 H new ATOM 0 HB VAL A 79 4.310 -2.358 -14.493 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.674 -0.381 -15.813 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.306 -1.689 -16.842 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.555 -1.383 -16.767 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.474 -0.910 -13.719 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.306 -1.935 -14.585 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.235 -2.602 -13.222 1.00 0.00 H new ATOM 1200 N ARG A 80 0.807 -4.576 -15.719 1.00 0.00 N ATOM 1201 CA ARG A 80 -0.523 -4.687 -16.306 1.00 0.00 C ATOM 1202 C ARG A 80 -1.438 -5.531 -15.423 1.00 0.00 C ATOM 1203 O ARG A 80 -1.080 -6.638 -15.020 1.00 0.00 O ATOM 1204 CB ARG A 80 -0.437 -5.302 -17.704 1.00 0.00 C ATOM 1205 CG ARG A 80 -1.577 -4.889 -18.622 1.00 0.00 C ATOM 1206 CD ARG A 80 -1.449 -3.435 -19.048 1.00 0.00 C ATOM 1207 NE ARG A 80 -2.717 -2.893 -19.531 1.00 0.00 N ATOM 1208 CZ ARG A 80 -3.009 -1.597 -19.534 1.00 0.00 C ATOM 1209 NH1 ARG A 80 -2.128 -0.715 -19.083 1.00 0.00 N ATOM 1210 NH2 ARG A 80 -4.184 -1.182 -19.990 1.00 0.00 N ATOM 0 H ARG A 80 0.943 -5.131 -14.874 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.944 -3.684 -16.383 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.509 -5.013 -18.161 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.429 -6.388 -17.614 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.585 -5.529 -19.505 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.529 -5.038 -18.112 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.098 -2.840 -18.205 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.697 -3.352 -19.832 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.416 -3.545 -19.885 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.224 -1.031 -18.733 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.355 0.280 -19.086 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.864 -1.858 -20.338 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.408 -0.187 -19.992 1.00 0.00 H new ATOM 1224 N SER A 81 -2.620 -5.000 -15.126 1.00 0.00 N ATOM 1225 CA SER A 81 -3.584 -5.702 -14.287 1.00 0.00 C ATOM 1226 C SER A 81 -4.070 -6.977 -14.969 1.00 0.00 C ATOM 1227 O SER A 81 -3.762 -7.228 -16.134 1.00 0.00 O ATOM 1228 CB SER A 81 -4.774 -4.793 -13.972 1.00 0.00 C ATOM 1229 OG SER A 81 -5.444 -5.219 -12.798 1.00 0.00 O ATOM 0 H SER A 81 -2.933 -4.086 -15.454 1.00 0.00 H new ATOM 0 HA SER A 81 -3.088 -5.975 -13.356 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.428 -3.767 -13.845 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.469 -4.794 -14.812 1.00 0.00 H new ATOM 0 HG SER A 81 -6.199 -4.621 -12.617 1.00 0.00 H new ATOM 1235 N GLY A 82 -4.833 -7.780 -14.234 1.00 0.00 N ATOM 1236 CA GLY A 82 -5.350 -9.020 -14.783 1.00 0.00 C ATOM 1237 C GLY A 82 -6.489 -9.589 -13.960 1.00 0.00 C ATOM 1238 O GLY A 82 -7.613 -9.088 -13.987 1.00 0.00 O ATOM 0 H GLY A 82 -5.102 -7.594 -13.268 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.694 -8.847 -15.803 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.545 -9.753 -14.839 1.00 0.00 H new ATOM 1242 N PRO A 83 -6.203 -10.661 -13.207 1.00 0.00 N ATOM 1243 CA PRO A 83 -7.199 -11.322 -12.359 1.00 0.00 C ATOM 1244 C PRO A 83 -7.600 -10.467 -11.162 1.00 0.00 C ATOM 1245 O PRO A 83 -7.071 -10.634 -10.063 1.00 0.00 O ATOM 1246 CB PRO A 83 -6.482 -12.592 -11.894 1.00 0.00 C ATOM 1247 CG PRO A 83 -5.033 -12.257 -11.966 1.00 0.00 C ATOM 1248 CD PRO A 83 -4.884 -11.311 -13.126 1.00 0.00 C ATOM 0 HA PRO A 83 -8.129 -11.513 -12.895 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.776 -12.864 -10.880 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.724 -13.440 -12.534 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.693 -11.795 -11.039 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.432 -13.154 -12.114 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.089 -10.586 -12.954 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.639 -11.840 -14.047 1.00 0.00 H new ATOM 1256 N SER A 84 -8.539 -9.552 -11.382 1.00 0.00 N ATOM 1257 CA SER A 84 -9.008 -8.669 -10.321 1.00 0.00 C ATOM 1258 C SER A 84 -10.022 -9.380 -9.430 1.00 0.00 C ATOM 1259 O SER A 84 -10.897 -10.096 -9.917 1.00 0.00 O ATOM 1260 CB SER A 84 -9.634 -7.407 -10.919 1.00 0.00 C ATOM 1261 OG SER A 84 -10.943 -7.665 -11.397 1.00 0.00 O ATOM 0 H SER A 84 -8.990 -9.403 -12.285 1.00 0.00 H new ATOM 0 HA SER A 84 -8.150 -8.387 -9.711 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.667 -6.621 -10.165 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.011 -7.040 -11.735 1.00 0.00 H new ATOM 0 HG SER A 84 -11.322 -6.843 -11.773 1.00 0.00 H new ATOM 1267 N SER A 85 -9.896 -9.178 -8.123 1.00 0.00 N ATOM 1268 CA SER A 85 -10.797 -9.803 -7.162 1.00 0.00 C ATOM 1269 C SER A 85 -11.993 -8.901 -6.873 1.00 0.00 C ATOM 1270 O SER A 85 -13.142 -9.289 -7.080 1.00 0.00 O ATOM 1271 CB SER A 85 -10.055 -10.116 -5.862 1.00 0.00 C ATOM 1272 OG SER A 85 -10.797 -11.012 -5.053 1.00 0.00 O ATOM 0 H SER A 85 -9.178 -8.586 -7.705 1.00 0.00 H new ATOM 0 HA SER A 85 -11.162 -10.734 -7.596 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.081 -10.549 -6.091 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.872 -9.192 -5.313 1.00 0.00 H new ATOM 0 HG SER A 85 -10.300 -11.197 -4.229 1.00 0.00 H new ATOM 1278 N GLY A 86 -11.713 -7.693 -6.393 1.00 0.00 N ATOM 1279 CA GLY A 86 -12.775 -6.753 -6.083 1.00 0.00 C ATOM 1280 C GLY A 86 -12.247 -5.446 -5.525 1.00 0.00 C ATOM 1281 O GLY A 86 -11.361 -4.849 -6.134 1.00 0.00 O ATOM 0 H GLY A 86 -10.770 -7.348 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.353 -6.552 -6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.456 -7.204 -5.361 1.00 0.00 H new TER 1285 GLY A 86 HETATM 1286 ZN ZN A 201 0.599 1.377 -4.092 1.00 0.00 ZN HETATM 1287 ZN ZN A 401 6.408 9.543 -9.386 1.00 0.00 ZN