USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 564 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 73 ASN : amide:sc= -1.85 X(o=-10,f=-10!) USER MOD Set 1.2: A 74 GLN : amide:sc= -8.25! C(o=-10!,f=-10!) USER MOD Set 2.1: A 16 ASN : amide:sc= -2.41 K(o=-2.4,f=-0.4) USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -92:sc= 0.0154 USER MOD Single : A 12 ASN : amide:sc= -0.596 X(o=-0.6,f=-0.96) USER MOD Single : A 13 ASN : amide:sc= -0.807 X(o=-0.81,f=-0.88) USER MOD Single : A 18 THR OG1 : rot 84:sc= 0.744 USER MOD Single : A 21 SER OG : rot -4:sc= 0.193 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 130:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.424 X(o=0.42,f=-0.046) USER MOD Single : A 38 ASN : amide:sc= -3.9! C(o=-3.9!,f=-3.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -32:sc= 0.774 USER MOD Single : A 45 CYS SG : rot -54:sc= -0.428 USER MOD Single : A 46 SER OG : rot 125:sc= 0.247 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -159:sc= 0.0737 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -155:sc= -2.75 (180deg=-4.2!) USER MOD Single : A 57 THR OG1 : rot 35:sc= 0.0355 USER MOD Single : A 62 GLN : amide:sc= -0.0568 K(o=-0.057,f=-2.9!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 80:sc= 0.0328 USER MOD Single : A 77 SER OG : rot -51:sc= 0.816 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0098 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.069 38.332 -17.050 1.00 0.00 N ATOM 2 CA GLY A 1 -7.188 36.986 -17.580 1.00 0.00 C ATOM 3 C GLY A 1 -7.792 36.021 -16.579 1.00 0.00 C ATOM 4 O GLY A 1 -7.340 35.937 -15.437 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.651 38.954 -17.772 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.011 38.687 -16.790 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.459 38.321 -16.208 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.804 37.006 -18.479 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.203 36.627 -17.877 1.00 0.00 H new ATOM 8 N SER A 2 -8.817 35.291 -17.008 1.00 0.00 N ATOM 9 CA SER A 2 -9.487 34.331 -16.139 1.00 0.00 C ATOM 10 C SER A 2 -9.223 32.902 -16.603 1.00 0.00 C ATOM 11 O SER A 2 -9.411 32.573 -17.774 1.00 0.00 O ATOM 12 CB SER A 2 -10.993 34.600 -16.112 1.00 0.00 C ATOM 13 OG SER A 2 -11.288 35.772 -15.372 1.00 0.00 O ATOM 0 H SER A 2 -9.201 35.346 -17.951 1.00 0.00 H new ATOM 0 HA SER A 2 -9.086 34.448 -15.132 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.365 34.706 -17.131 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.510 33.748 -15.671 1.00 0.00 H new ATOM 0 HG SER A 2 -12.256 35.923 -15.371 1.00 0.00 H new ATOM 19 N SER A 3 -8.786 32.056 -15.676 1.00 0.00 N ATOM 20 CA SER A 3 -8.491 30.663 -15.989 1.00 0.00 C ATOM 21 C SER A 3 -9.611 29.748 -15.501 1.00 0.00 C ATOM 22 O SER A 3 -10.041 29.833 -14.352 1.00 0.00 O ATOM 23 CB SER A 3 -7.163 30.244 -15.355 1.00 0.00 C ATOM 24 OG SER A 3 -6.065 30.683 -16.136 1.00 0.00 O ATOM 0 H SER A 3 -8.628 32.311 -14.701 1.00 0.00 H new ATOM 0 HA SER A 3 -8.413 30.569 -17.072 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.088 30.660 -14.350 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.131 29.159 -15.254 1.00 0.00 H new ATOM 0 HG SER A 3 -5.228 30.405 -15.709 1.00 0.00 H new ATOM 30 N GLY A 4 -10.079 28.873 -16.386 1.00 0.00 N ATOM 31 CA GLY A 4 -11.145 27.954 -16.028 1.00 0.00 C ATOM 32 C GLY A 4 -10.619 26.629 -15.514 1.00 0.00 C ATOM 33 O GLY A 4 -10.691 25.614 -16.207 1.00 0.00 O ATOM 0 H GLY A 4 -9.740 28.784 -17.344 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.775 28.412 -15.265 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.776 27.778 -16.899 1.00 0.00 H new ATOM 37 N SER A 5 -10.088 26.637 -14.296 1.00 0.00 N ATOM 38 CA SER A 5 -9.543 25.427 -13.692 1.00 0.00 C ATOM 39 C SER A 5 -10.552 24.793 -12.739 1.00 0.00 C ATOM 40 O SER A 5 -10.193 24.319 -11.662 1.00 0.00 O ATOM 41 CB SER A 5 -8.247 25.745 -12.942 1.00 0.00 C ATOM 42 OG SER A 5 -7.159 25.883 -13.840 1.00 0.00 O ATOM 0 H SER A 5 -10.024 27.468 -13.708 1.00 0.00 H new ATOM 0 HA SER A 5 -9.328 24.717 -14.491 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.370 26.665 -12.371 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.033 24.951 -12.226 1.00 0.00 H new ATOM 0 HG SER A 5 -6.343 26.088 -13.337 1.00 0.00 H new ATOM 48 N SER A 6 -11.818 24.789 -13.146 1.00 0.00 N ATOM 49 CA SER A 6 -12.881 24.217 -12.328 1.00 0.00 C ATOM 50 C SER A 6 -12.792 22.695 -12.308 1.00 0.00 C ATOM 51 O SER A 6 -12.123 22.089 -13.145 1.00 0.00 O ATOM 52 CB SER A 6 -14.250 24.653 -12.857 1.00 0.00 C ATOM 53 OG SER A 6 -14.589 25.947 -12.389 1.00 0.00 O ATOM 0 H SER A 6 -12.132 25.175 -14.036 1.00 0.00 H new ATOM 0 HA SER A 6 -12.759 24.583 -11.309 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.241 24.648 -13.947 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.010 23.938 -12.541 1.00 0.00 H new ATOM 0 HG SER A 6 -15.467 26.203 -12.742 1.00 0.00 H new ATOM 59 N GLY A 7 -13.474 22.081 -11.346 1.00 0.00 N ATOM 60 CA GLY A 7 -13.459 20.634 -11.233 1.00 0.00 C ATOM 61 C GLY A 7 -13.672 20.161 -9.809 1.00 0.00 C ATOM 62 O GLY A 7 -12.754 20.205 -8.989 1.00 0.00 O ATOM 0 H GLY A 7 -14.037 22.560 -10.643 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.236 20.215 -11.872 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.506 20.254 -11.600 1.00 0.00 H new ATOM 66 N ARG A 8 -14.886 19.708 -9.513 1.00 0.00 N ATOM 67 CA ARG A 8 -15.217 19.228 -8.176 1.00 0.00 C ATOM 68 C ARG A 8 -16.096 17.983 -8.249 1.00 0.00 C ATOM 69 O ARG A 8 -17.081 17.948 -8.986 1.00 0.00 O ATOM 70 CB ARG A 8 -15.930 20.323 -7.380 1.00 0.00 C ATOM 71 CG ARG A 8 -15.771 20.182 -5.875 1.00 0.00 C ATOM 72 CD ARG A 8 -15.784 21.536 -5.184 1.00 0.00 C ATOM 73 NE ARG A 8 -14.450 22.124 -5.107 1.00 0.00 N ATOM 74 CZ ARG A 8 -14.227 23.426 -4.963 1.00 0.00 C ATOM 75 NH1 ARG A 8 -15.246 24.271 -4.880 1.00 0.00 N ATOM 76 NH2 ARG A 8 -12.984 23.885 -4.901 1.00 0.00 N ATOM 0 H ARG A 8 -15.656 19.663 -10.180 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.288 18.967 -7.670 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.544 21.295 -7.688 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -16.991 20.308 -7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -16.576 19.563 -5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.836 19.668 -5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -16.447 22.212 -5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.190 21.426 -4.179 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.645 21.501 -5.167 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.203 23.922 -4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.072 25.270 -4.769 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.198 23.238 -4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.814 24.885 -4.790 1.00 0.00 H new ATOM 90 N TYR A 9 -15.732 16.963 -7.480 1.00 0.00 N ATOM 91 CA TYR A 9 -16.485 15.715 -7.458 1.00 0.00 C ATOM 92 C TYR A 9 -16.282 14.978 -6.138 1.00 0.00 C ATOM 93 O TYR A 9 -15.248 15.102 -5.481 1.00 0.00 O ATOM 94 CB TYR A 9 -16.062 14.820 -8.624 1.00 0.00 C ATOM 95 CG TYR A 9 -16.536 15.316 -9.972 1.00 0.00 C ATOM 96 CD1 TYR A 9 -17.891 15.374 -10.275 1.00 0.00 C ATOM 97 CD2 TYR A 9 -15.629 15.726 -10.941 1.00 0.00 C ATOM 98 CE1 TYR A 9 -18.328 15.826 -11.505 1.00 0.00 C ATOM 99 CE2 TYR A 9 -16.058 16.181 -12.173 1.00 0.00 C ATOM 100 CZ TYR A 9 -17.408 16.229 -12.451 1.00 0.00 C ATOM 101 OH TYR A 9 -17.839 16.680 -13.677 1.00 0.00 O ATOM 0 H TYR A 9 -14.920 16.976 -6.863 1.00 0.00 H new ATOM 0 HA TYR A 9 -17.543 15.957 -7.558 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.975 14.743 -8.636 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -16.450 13.815 -8.459 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -18.614 15.061 -9.537 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -14.571 15.688 -10.728 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -19.385 15.864 -11.725 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -15.340 16.498 -12.915 1.00 0.00 H new ATOM 0 HH TYR A 9 -17.065 16.926 -14.226 1.00 0.00 H new ATOM 111 N PRO A 10 -17.294 14.193 -5.739 1.00 0.00 N ATOM 112 CA PRO A 10 -17.251 13.419 -4.494 1.00 0.00 C ATOM 113 C PRO A 10 -16.253 12.268 -4.561 1.00 0.00 C ATOM 114 O PRO A 10 -16.239 11.499 -5.523 1.00 0.00 O ATOM 115 CB PRO A 10 -18.679 12.882 -4.361 1.00 0.00 C ATOM 116 CG PRO A 10 -19.200 12.843 -5.756 1.00 0.00 C ATOM 117 CD PRO A 10 -18.556 13.998 -6.472 1.00 0.00 C ATOM 0 HA PRO A 10 -16.928 14.026 -3.648 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -18.689 11.891 -3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -19.288 13.528 -3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -18.952 11.898 -6.239 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -20.286 12.932 -5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -18.379 13.771 -7.523 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -19.182 14.890 -6.440 1.00 0.00 H new ATOM 125 N THR A 11 -15.419 12.153 -3.532 1.00 0.00 N ATOM 126 CA THR A 11 -14.417 11.096 -3.474 1.00 0.00 C ATOM 127 C THR A 11 -15.002 9.760 -3.917 1.00 0.00 C ATOM 128 O THR A 11 -16.139 9.429 -3.586 1.00 0.00 O ATOM 129 CB THR A 11 -13.841 10.946 -2.054 1.00 0.00 C ATOM 130 OG1 THR A 11 -12.736 10.034 -2.067 1.00 0.00 O ATOM 131 CG2 THR A 11 -14.905 10.447 -1.088 1.00 0.00 C ATOM 0 H THR A 11 -15.418 12.779 -2.727 1.00 0.00 H new ATOM 0 HA THR A 11 -13.615 11.382 -4.155 1.00 0.00 H new ATOM 0 HB THR A 11 -13.500 11.926 -1.719 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.057 9.128 -1.876 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.474 10.349 -0.091 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.731 11.157 -1.058 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.273 9.477 -1.421 1.00 0.00 H new ATOM 139 N ASN A 12 -14.216 8.995 -4.668 1.00 0.00 N ATOM 140 CA ASN A 12 -14.656 7.694 -5.157 1.00 0.00 C ATOM 141 C ASN A 12 -13.570 6.641 -4.956 1.00 0.00 C ATOM 142 O ASN A 12 -13.857 5.499 -4.601 1.00 0.00 O ATOM 143 CB ASN A 12 -15.029 7.781 -6.638 1.00 0.00 C ATOM 144 CG ASN A 12 -13.837 7.557 -7.548 1.00 0.00 C ATOM 145 OD1 ASN A 12 -13.506 6.421 -7.887 1.00 0.00 O ATOM 146 ND2 ASN A 12 -13.187 8.643 -7.950 1.00 0.00 N ATOM 0 H ASN A 12 -13.271 9.254 -4.951 1.00 0.00 H new ATOM 0 HA ASN A 12 -15.535 7.398 -4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.797 7.040 -6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -15.461 8.760 -6.844 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -12.378 8.555 -8.565 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.497 9.565 -7.644 1.00 0.00 H new ATOM 153 N ASN A 13 -12.322 7.036 -5.185 1.00 0.00 N ATOM 154 CA ASN A 13 -11.192 6.127 -5.029 1.00 0.00 C ATOM 155 C ASN A 13 -11.233 5.436 -3.669 1.00 0.00 C ATOM 156 O ASN A 13 -11.039 4.224 -3.570 1.00 0.00 O ATOM 157 CB ASN A 13 -9.873 6.886 -5.188 1.00 0.00 C ATOM 158 CG ASN A 13 -8.667 6.024 -4.869 1.00 0.00 C ATOM 159 OD1 ASN A 13 -8.676 4.815 -5.102 1.00 0.00 O ATOM 160 ND2 ASN A 13 -7.622 6.644 -4.334 1.00 0.00 N ATOM 0 H ASN A 13 -12.067 7.979 -5.479 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.261 5.366 -5.806 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -9.791 7.256 -6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.877 7.757 -4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.782 6.116 -4.098 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.660 7.648 -4.159 1.00 0.00 H new ATOM 167 N PHE A 14 -11.488 6.216 -2.623 1.00 0.00 N ATOM 168 CA PHE A 14 -11.554 5.680 -1.268 1.00 0.00 C ATOM 169 C PHE A 14 -12.428 4.429 -1.220 1.00 0.00 C ATOM 170 O PHE A 14 -13.070 4.070 -2.206 1.00 0.00 O ATOM 171 CB PHE A 14 -12.102 6.736 -0.306 1.00 0.00 C ATOM 172 CG PHE A 14 -13.600 6.729 -0.199 1.00 0.00 C ATOM 173 CD1 PHE A 14 -14.389 6.864 -1.330 1.00 0.00 C ATOM 174 CD2 PHE A 14 -14.219 6.589 1.033 1.00 0.00 C ATOM 175 CE1 PHE A 14 -15.768 6.859 -1.234 1.00 0.00 C ATOM 176 CE2 PHE A 14 -15.598 6.583 1.135 1.00 0.00 C ATOM 177 CZ PHE A 14 -16.373 6.717 0.000 1.00 0.00 C ATOM 0 H PHE A 14 -11.652 7.221 -2.688 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.544 5.408 -0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.674 6.572 0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -11.774 7.722 -0.636 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -13.921 6.974 -2.297 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -13.617 6.483 1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -16.372 6.966 -2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -16.068 6.474 2.101 1.00 0.00 H new ATOM 0 HZ PHE A 14 -17.450 6.711 0.077 1.00 0.00 H new ATOM 187 N GLY A 15 -12.445 3.771 -0.066 1.00 0.00 N ATOM 188 CA GLY A 15 -13.241 2.568 0.090 1.00 0.00 C ATOM 189 C GLY A 15 -12.538 1.334 -0.439 1.00 0.00 C ATOM 190 O GLY A 15 -12.697 0.240 0.102 1.00 0.00 O ATOM 0 H GLY A 15 -11.922 4.049 0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -13.474 2.425 1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.190 2.694 -0.432 1.00 0.00 H new ATOM 194 N ASN A 16 -11.758 1.509 -1.501 1.00 0.00 N ATOM 195 CA ASN A 16 -11.029 0.400 -2.105 1.00 0.00 C ATOM 196 C ASN A 16 -9.545 0.729 -2.232 1.00 0.00 C ATOM 197 O ASN A 16 -9.146 1.891 -2.148 1.00 0.00 O ATOM 198 CB ASN A 16 -11.609 0.070 -3.482 1.00 0.00 C ATOM 199 CG ASN A 16 -13.090 0.384 -3.575 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.528 1.108 -4.469 1.00 0.00 O ATOM 201 ND2 ASN A 16 -13.870 -0.162 -2.649 1.00 0.00 N ATOM 0 H ASN A 16 -11.615 2.408 -1.961 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.136 -0.469 -1.455 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.072 0.634 -4.244 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.450 -0.987 -3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -14.875 0.013 -2.661 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -13.464 -0.756 -1.926 1.00 0.00 H new ATOM 208 N CYS A 17 -8.731 -0.301 -2.436 1.00 0.00 N ATOM 209 CA CYS A 17 -7.291 -0.123 -2.576 1.00 0.00 C ATOM 210 C CYS A 17 -6.974 1.124 -3.397 1.00 0.00 C ATOM 211 O CYS A 17 -7.808 1.603 -4.166 1.00 0.00 O ATOM 212 CB CYS A 17 -6.665 -1.354 -3.234 1.00 0.00 C ATOM 213 SG CYS A 17 -4.843 -1.359 -3.221 1.00 0.00 S ATOM 0 H CYS A 17 -9.045 -1.269 -2.508 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.867 0.002 -1.580 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.024 -2.248 -2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.010 -1.416 -4.266 1.00 0.00 H new ATOM 218 N THR A 18 -5.762 1.644 -3.229 1.00 0.00 N ATOM 219 CA THR A 18 -5.334 2.834 -3.953 1.00 0.00 C ATOM 220 C THR A 18 -4.623 2.464 -5.249 1.00 0.00 C ATOM 221 O THR A 18 -4.215 3.335 -6.016 1.00 0.00 O ATOM 222 CB THR A 18 -4.396 3.706 -3.096 1.00 0.00 C ATOM 223 OG1 THR A 18 -4.997 3.967 -1.823 1.00 0.00 O ATOM 224 CG2 THR A 18 -4.090 5.021 -3.797 1.00 0.00 C ATOM 0 H THR A 18 -5.059 1.259 -2.597 1.00 0.00 H new ATOM 0 HA THR A 18 -6.234 3.403 -4.186 1.00 0.00 H new ATOM 0 HB THR A 18 -3.462 3.163 -2.952 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.825 3.214 -1.219 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.426 5.620 -3.173 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.606 4.820 -4.753 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.018 5.567 -3.968 1.00 0.00 H new ATOM 232 N GLY A 19 -4.478 1.164 -5.488 1.00 0.00 N ATOM 233 CA GLY A 19 -3.815 0.701 -6.694 1.00 0.00 C ATOM 234 C GLY A 19 -4.738 -0.099 -7.592 1.00 0.00 C ATOM 235 O GLY A 19 -4.992 0.285 -8.733 1.00 0.00 O ATOM 0 H GLY A 19 -4.807 0.424 -4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.430 1.559 -7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.957 0.087 -6.420 1.00 0.00 H new ATOM 239 N CYS A 20 -5.240 -1.216 -7.076 1.00 0.00 N ATOM 240 CA CYS A 20 -6.138 -2.075 -7.839 1.00 0.00 C ATOM 241 C CYS A 20 -7.585 -1.875 -7.399 1.00 0.00 C ATOM 242 O CYS A 20 -8.443 -2.724 -7.646 1.00 0.00 O ATOM 243 CB CYS A 20 -5.740 -3.542 -7.671 1.00 0.00 C ATOM 244 SG CYS A 20 -5.778 -4.130 -5.947 1.00 0.00 S ATOM 0 H CYS A 20 -5.040 -1.548 -6.132 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.055 -1.802 -8.891 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.410 -4.160 -8.269 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.735 -3.683 -8.070 1.00 0.00 H new ATOM 249 N SER A 21 -7.850 -0.748 -6.747 1.00 0.00 N ATOM 250 CA SER A 21 -9.192 -0.438 -6.269 1.00 0.00 C ATOM 251 C SER A 21 -9.902 -1.699 -5.787 1.00 0.00 C ATOM 252 O SER A 21 -11.126 -1.805 -5.868 1.00 0.00 O ATOM 253 CB SER A 21 -10.009 0.230 -7.377 1.00 0.00 C ATOM 254 OG SER A 21 -10.296 -0.685 -8.421 1.00 0.00 O ATOM 0 H SER A 21 -7.153 -0.034 -6.537 1.00 0.00 H new ATOM 0 HA SER A 21 -9.102 0.250 -5.429 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.940 0.618 -6.963 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.458 1.081 -7.777 1.00 0.00 H new ATOM 0 HG SER A 21 -9.856 -1.541 -8.236 1.00 0.00 H new ATOM 260 N ALA A 22 -9.125 -2.653 -5.286 1.00 0.00 N ATOM 261 CA ALA A 22 -9.678 -3.907 -4.789 1.00 0.00 C ATOM 262 C ALA A 22 -10.542 -3.675 -3.554 1.00 0.00 C ATOM 263 O ALA A 22 -10.030 -3.521 -2.445 1.00 0.00 O ATOM 264 CB ALA A 22 -8.560 -4.890 -4.476 1.00 0.00 C ATOM 0 H ALA A 22 -8.110 -2.582 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.311 -4.330 -5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.988 -5.822 -4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.986 -5.089 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.904 -4.465 -3.716 1.00 0.00 H new ATOM 270 N THR A 23 -11.856 -3.649 -3.754 1.00 0.00 N ATOM 271 CA THR A 23 -12.792 -3.434 -2.657 1.00 0.00 C ATOM 272 C THR A 23 -12.518 -4.393 -1.505 1.00 0.00 C ATOM 273 O THR A 23 -12.108 -5.534 -1.718 1.00 0.00 O ATOM 274 CB THR A 23 -14.250 -3.608 -3.120 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.475 -2.861 -4.321 1.00 0.00 O ATOM 276 CG2 THR A 23 -15.219 -3.147 -2.042 1.00 0.00 C ATOM 0 H THR A 23 -12.296 -3.774 -4.666 1.00 0.00 H new ATOM 0 HA THR A 23 -12.648 -2.409 -2.315 1.00 0.00 H new ATOM 0 HB THR A 23 -14.423 -4.667 -3.313 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.404 -2.978 -4.610 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.243 -3.280 -2.392 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.065 -3.737 -1.138 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.044 -2.094 -1.822 1.00 0.00 H new ATOM 284 N PHE A 24 -12.749 -3.924 -0.283 1.00 0.00 N ATOM 285 CA PHE A 24 -12.528 -4.742 0.904 1.00 0.00 C ATOM 286 C PHE A 24 -13.854 -5.150 1.539 1.00 0.00 C ATOM 287 O PHE A 24 -14.562 -4.320 2.110 1.00 0.00 O ATOM 288 CB PHE A 24 -11.675 -3.981 1.922 1.00 0.00 C ATOM 289 CG PHE A 24 -10.507 -3.263 1.307 1.00 0.00 C ATOM 290 CD1 PHE A 24 -9.287 -3.902 1.154 1.00 0.00 C ATOM 291 CD2 PHE A 24 -10.629 -1.949 0.884 1.00 0.00 C ATOM 292 CE1 PHE A 24 -8.211 -3.244 0.588 1.00 0.00 C ATOM 293 CE2 PHE A 24 -9.557 -1.287 0.318 1.00 0.00 C ATOM 294 CZ PHE A 24 -8.346 -1.934 0.171 1.00 0.00 C ATOM 0 H PHE A 24 -13.089 -2.982 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.999 -5.645 0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -12.303 -3.258 2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -11.307 -4.681 2.672 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.176 -4.925 1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -11.573 -1.437 0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.266 -3.754 0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.666 -0.264 -0.009 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.506 -1.417 -0.269 1.00 0.00 H new ATOM 304 N SER A 25 -14.183 -6.433 1.435 1.00 0.00 N ATOM 305 CA SER A 25 -15.426 -6.952 1.994 1.00 0.00 C ATOM 306 C SER A 25 -15.160 -8.177 2.864 1.00 0.00 C ATOM 307 O SER A 25 -15.320 -8.133 4.084 1.00 0.00 O ATOM 308 CB SER A 25 -16.404 -7.310 0.874 1.00 0.00 C ATOM 309 OG SER A 25 -16.998 -6.146 0.324 1.00 0.00 O ATOM 0 H SER A 25 -13.606 -7.133 0.969 1.00 0.00 H new ATOM 0 HA SER A 25 -15.868 -6.174 2.617 1.00 0.00 H new ATOM 0 HB2 SER A 25 -15.880 -7.859 0.092 1.00 0.00 H new ATOM 0 HB3 SER A 25 -17.180 -7.970 1.262 1.00 0.00 H new ATOM 0 HG SER A 25 -17.618 -6.402 -0.391 1.00 0.00 H new ATOM 315 N VAL A 26 -14.754 -9.271 2.227 1.00 0.00 N ATOM 316 CA VAL A 26 -14.465 -10.509 2.941 1.00 0.00 C ATOM 317 C VAL A 26 -13.159 -11.130 2.458 1.00 0.00 C ATOM 318 O VAL A 26 -12.279 -11.452 3.257 1.00 0.00 O ATOM 319 CB VAL A 26 -15.602 -11.533 2.770 1.00 0.00 C ATOM 320 CG1 VAL A 26 -15.814 -11.856 1.299 1.00 0.00 C ATOM 321 CG2 VAL A 26 -15.304 -12.796 3.564 1.00 0.00 C ATOM 0 H VAL A 26 -14.618 -9.325 1.218 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.373 -10.252 3.996 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.522 -11.096 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.621 -12.581 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.075 -10.945 0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.897 -12.273 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.118 -13.509 3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.373 -13.238 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.208 -12.547 4.621 1.00 0.00 H new ATOM 331 N LEU A 27 -13.039 -11.294 1.145 1.00 0.00 N ATOM 332 CA LEU A 27 -11.839 -11.877 0.554 1.00 0.00 C ATOM 333 C LEU A 27 -10.795 -10.802 0.271 1.00 0.00 C ATOM 334 O LEU A 27 -10.098 -10.849 -0.743 1.00 0.00 O ATOM 335 CB LEU A 27 -12.191 -12.615 -0.739 1.00 0.00 C ATOM 336 CG LEU A 27 -12.733 -14.036 -0.574 1.00 0.00 C ATOM 337 CD1 LEU A 27 -13.124 -14.618 -1.924 1.00 0.00 C ATOM 338 CD2 LEU A 27 -11.705 -14.923 0.113 1.00 0.00 C ATOM 0 H LEU A 27 -13.757 -11.032 0.470 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.420 -12.586 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.931 -12.026 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.299 -12.658 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.624 -13.994 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.507 -15.629 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.895 -13.996 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.250 -14.646 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.108 -15.930 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.796 -14.959 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.474 -14.516 1.098 1.00 0.00 H new ATOM 350 N LYS A 28 -10.690 -9.833 1.174 1.00 0.00 N ATOM 351 CA LYS A 28 -9.729 -8.748 1.025 1.00 0.00 C ATOM 352 C LYS A 28 -9.705 -7.867 2.270 1.00 0.00 C ATOM 353 O LYS A 28 -10.738 -7.356 2.702 1.00 0.00 O ATOM 354 CB LYS A 28 -10.070 -7.902 -0.204 1.00 0.00 C ATOM 355 CG LYS A 28 -8.857 -7.272 -0.865 1.00 0.00 C ATOM 356 CD LYS A 28 -8.250 -8.194 -1.910 1.00 0.00 C ATOM 357 CE LYS A 28 -9.165 -8.349 -3.115 1.00 0.00 C ATOM 358 NZ LYS A 28 -8.437 -8.883 -4.300 1.00 0.00 N ATOM 0 H LYS A 28 -11.260 -9.778 2.018 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.740 -9.188 0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.587 -8.527 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.764 -7.114 0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.144 -6.330 -1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.109 -7.037 -0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.287 -7.797 -2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.060 -9.172 -1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.988 -9.018 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.604 -7.383 -3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.095 -8.974 -5.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.668 -8.232 -4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.039 -9.816 -4.071 1.00 0.00 H new ATOM 372 N LYS A 29 -8.519 -7.693 2.844 1.00 0.00 N ATOM 373 CA LYS A 29 -8.358 -6.873 4.038 1.00 0.00 C ATOM 374 C LYS A 29 -7.620 -5.578 3.713 1.00 0.00 C ATOM 375 O LYS A 29 -6.562 -5.596 3.085 1.00 0.00 O ATOM 376 CB LYS A 29 -7.599 -7.648 5.117 1.00 0.00 C ATOM 377 CG LYS A 29 -6.215 -8.099 4.681 1.00 0.00 C ATOM 378 CD LYS A 29 -5.809 -9.394 5.365 1.00 0.00 C ATOM 379 CE LYS A 29 -4.881 -10.220 4.488 1.00 0.00 C ATOM 380 NZ LYS A 29 -4.543 -11.527 5.116 1.00 0.00 N ATOM 0 H LYS A 29 -7.654 -8.110 2.500 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.351 -6.621 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.505 -7.022 6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.183 -8.522 5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.200 -8.237 3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.488 -7.321 4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.314 -9.168 6.309 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.700 -9.976 5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.353 -10.393 3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.965 -9.660 4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.909 -12.060 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.069 -11.362 6.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.414 -12.073 5.273 1.00 0.00 H new ATOM 394 N ARG A 30 -8.185 -4.455 4.147 1.00 0.00 N ATOM 395 CA ARG A 30 -7.580 -3.152 3.902 1.00 0.00 C ATOM 396 C ARG A 30 -6.356 -2.945 4.789 1.00 0.00 C ATOM 397 O ARG A 30 -6.481 -2.712 5.992 1.00 0.00 O ATOM 398 CB ARG A 30 -8.599 -2.038 4.152 1.00 0.00 C ATOM 399 CG ARG A 30 -8.381 -0.808 3.287 1.00 0.00 C ATOM 400 CD ARG A 30 -9.692 -0.096 2.990 1.00 0.00 C ATOM 401 NE ARG A 30 -9.980 0.950 3.967 1.00 0.00 N ATOM 402 CZ ARG A 30 -10.593 0.727 5.125 1.00 0.00 C ATOM 403 NH1 ARG A 30 -10.979 -0.499 5.448 1.00 0.00 N ATOM 404 NH2 ARG A 30 -10.819 1.731 5.962 1.00 0.00 N ATOM 0 H ARG A 30 -9.060 -4.422 4.670 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.262 -3.117 2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.601 -2.426 3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.556 -1.746 5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.700 -0.123 3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.904 -1.100 2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.649 0.341 1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.506 -0.821 2.985 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.695 1.905 3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.806 -1.274 4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.449 -0.668 6.337 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.522 2.676 5.717 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.290 1.558 6.850 1.00 0.00 H new ATOM 418 N ARG A 31 -5.174 -3.033 4.188 1.00 0.00 N ATOM 419 CA ARG A 31 -3.928 -2.857 4.924 1.00 0.00 C ATOM 420 C ARG A 31 -3.532 -1.385 4.979 1.00 0.00 C ATOM 421 O ARG A 31 -4.266 -0.516 4.509 1.00 0.00 O ATOM 422 CB ARG A 31 -2.809 -3.674 4.275 1.00 0.00 C ATOM 423 CG ARG A 31 -2.731 -5.107 4.775 1.00 0.00 C ATOM 424 CD ARG A 31 -1.907 -5.979 3.842 1.00 0.00 C ATOM 425 NE ARG A 31 -1.831 -7.361 4.308 1.00 0.00 N ATOM 426 CZ ARG A 31 -0.957 -7.783 5.216 1.00 0.00 C ATOM 427 NH1 ARG A 31 -0.090 -6.934 5.751 1.00 0.00 N ATOM 428 NH2 ARG A 31 -0.949 -9.056 5.589 1.00 0.00 N ATOM 0 H ARG A 31 -5.053 -3.225 3.194 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.084 -3.211 5.943 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.957 -3.683 3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.855 -3.181 4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.291 -5.122 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.737 -5.517 4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.345 -5.957 2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.901 -5.569 3.758 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.484 -8.039 3.915 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.093 -5.955 5.466 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.580 -7.260 6.448 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.614 -9.712 5.179 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.278 -9.379 6.286 1.00 0.00 H new ATOM 442 N SER A 32 -2.367 -1.112 5.558 1.00 0.00 N ATOM 443 CA SER A 32 -1.875 0.256 5.678 1.00 0.00 C ATOM 444 C SER A 32 -0.392 0.332 5.330 1.00 0.00 C ATOM 445 O SER A 32 0.443 -0.307 5.972 1.00 0.00 O ATOM 446 CB SER A 32 -2.105 0.779 7.097 1.00 0.00 C ATOM 447 OG SER A 32 -3.484 0.777 7.424 1.00 0.00 O ATOM 0 H SER A 32 -1.746 -1.820 5.951 1.00 0.00 H new ATOM 0 HA SER A 32 -2.428 0.879 4.974 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.558 0.161 7.809 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.709 1.791 7.184 1.00 0.00 H new ATOM 0 HG SER A 32 -3.604 1.114 8.336 1.00 0.00 H new ATOM 453 N CYS A 33 -0.070 1.118 4.308 1.00 0.00 N ATOM 454 CA CYS A 33 1.312 1.280 3.872 1.00 0.00 C ATOM 455 C CYS A 33 2.194 1.752 5.024 1.00 0.00 C ATOM 456 O CYS A 33 1.697 2.216 6.050 1.00 0.00 O ATOM 457 CB CYS A 33 1.390 2.276 2.714 1.00 0.00 C ATOM 458 SG CYS A 33 3.034 2.387 1.938 1.00 0.00 S ATOM 0 H CYS A 33 -0.748 1.653 3.766 1.00 0.00 H new ATOM 0 HA CYS A 33 1.676 0.310 3.533 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.660 1.993 1.955 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.104 3.263 3.078 1.00 0.00 H new ATOM 463 N SER A 34 3.506 1.630 4.846 1.00 0.00 N ATOM 464 CA SER A 34 4.458 2.041 5.871 1.00 0.00 C ATOM 465 C SER A 34 5.079 3.391 5.526 1.00 0.00 C ATOM 466 O SER A 34 5.417 4.176 6.411 1.00 0.00 O ATOM 467 CB SER A 34 5.555 0.987 6.030 1.00 0.00 C ATOM 468 OG SER A 34 5.190 0.011 6.990 1.00 0.00 O ATOM 0 H SER A 34 3.934 1.250 4.002 1.00 0.00 H new ATOM 0 HA SER A 34 3.920 2.139 6.814 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.742 0.505 5.070 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.485 1.468 6.332 1.00 0.00 H new ATOM 0 HG SER A 34 5.320 -0.884 6.612 1.00 0.00 H new ATOM 474 N ASN A 35 5.228 3.653 4.231 1.00 0.00 N ATOM 475 CA ASN A 35 5.810 4.907 3.767 1.00 0.00 C ATOM 476 C ASN A 35 4.745 5.994 3.661 1.00 0.00 C ATOM 477 O ASN A 35 4.671 6.891 4.502 1.00 0.00 O ATOM 478 CB ASN A 35 6.488 4.708 2.411 1.00 0.00 C ATOM 479 CG ASN A 35 7.003 6.008 1.825 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.637 6.805 2.516 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.731 6.228 0.544 1.00 0.00 N ATOM 0 H ASN A 35 4.954 3.014 3.485 1.00 0.00 H new ATOM 0 HA ASN A 35 6.556 5.224 4.495 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.317 4.009 2.522 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.780 4.255 1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.051 7.086 0.095 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.202 5.539 0.009 1.00 0.00 H new ATOM 488 N CYS A 36 3.920 5.908 2.623 1.00 0.00 N ATOM 489 CA CYS A 36 2.859 6.883 2.405 1.00 0.00 C ATOM 490 C CYS A 36 1.808 6.799 3.509 1.00 0.00 C ATOM 491 O CYS A 36 1.248 7.812 3.925 1.00 0.00 O ATOM 492 CB CYS A 36 2.201 6.657 1.042 1.00 0.00 C ATOM 493 SG CYS A 36 1.148 5.173 0.962 1.00 0.00 S ATOM 0 H CYS A 36 3.966 5.172 1.919 1.00 0.00 H new ATOM 0 HA CYS A 36 3.304 7.878 2.425 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.599 7.531 0.792 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.980 6.578 0.283 1.00 0.00 H new ATOM 498 N GLY A 37 1.548 5.583 3.979 1.00 0.00 N ATOM 499 CA GLY A 37 0.566 5.388 5.030 1.00 0.00 C ATOM 500 C GLY A 37 -0.857 5.420 4.507 1.00 0.00 C ATOM 501 O GLY A 37 -1.755 5.945 5.164 1.00 0.00 O ATOM 0 H GLY A 37 2.000 4.729 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.748 4.432 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.689 6.163 5.787 1.00 0.00 H new ATOM 505 N ASN A 38 -1.063 4.858 3.320 1.00 0.00 N ATOM 506 CA ASN A 38 -2.386 4.827 2.709 1.00 0.00 C ATOM 507 C ASN A 38 -2.977 3.421 2.762 1.00 0.00 C ATOM 508 O ASN A 38 -2.323 2.479 3.209 1.00 0.00 O ATOM 509 CB ASN A 38 -2.312 5.307 1.258 1.00 0.00 C ATOM 510 CG ASN A 38 -1.570 6.622 1.121 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.538 7.429 2.051 1.00 0.00 O ATOM 512 ND2 ASN A 38 -0.970 6.844 -0.042 1.00 0.00 N ATOM 0 H ASN A 38 -0.331 4.418 2.763 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.035 5.496 3.273 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.816 4.548 0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.322 5.420 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.456 7.712 -0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.023 6.147 -0.785 1.00 0.00 H new ATOM 519 N SER A 39 -4.216 3.288 2.302 1.00 0.00 N ATOM 520 CA SER A 39 -4.897 1.998 2.299 1.00 0.00 C ATOM 521 C SER A 39 -4.530 1.193 1.057 1.00 0.00 C ATOM 522 O SER A 39 -4.470 1.729 -0.050 1.00 0.00 O ATOM 523 CB SER A 39 -6.412 2.197 2.363 1.00 0.00 C ATOM 524 OG SER A 39 -6.771 3.040 3.444 1.00 0.00 O ATOM 0 H SER A 39 -4.770 4.058 1.926 1.00 0.00 H new ATOM 0 HA SER A 39 -4.574 1.442 3.179 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.765 2.630 1.427 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.904 1.231 2.472 1.00 0.00 H new ATOM 0 HG SER A 39 -7.744 3.153 3.462 1.00 0.00 H new ATOM 530 N PHE A 40 -4.285 -0.099 1.248 1.00 0.00 N ATOM 531 CA PHE A 40 -3.922 -0.980 0.144 1.00 0.00 C ATOM 532 C PHE A 40 -4.378 -2.410 0.417 1.00 0.00 C ATOM 533 O PHE A 40 -4.760 -2.749 1.538 1.00 0.00 O ATOM 534 CB PHE A 40 -2.410 -0.950 -0.086 1.00 0.00 C ATOM 535 CG PHE A 40 -1.921 0.334 -0.693 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.075 0.577 -2.049 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.308 1.298 0.091 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.627 1.758 -2.611 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.858 2.480 -0.466 1.00 0.00 C ATOM 540 CZ PHE A 40 -1.017 2.710 -1.819 1.00 0.00 C ATOM 0 H PHE A 40 -4.331 -0.559 2.157 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.426 -0.622 -0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.903 -1.109 0.866 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.133 -1.779 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.550 -0.165 -2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.180 1.124 1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.754 1.936 -3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.382 3.224 0.156 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.665 3.633 -2.256 1.00 0.00 H new ATOM 550 N CYS A 41 -4.336 -3.246 -0.615 1.00 0.00 N ATOM 551 CA CYS A 41 -4.744 -4.640 -0.489 1.00 0.00 C ATOM 552 C CYS A 41 -3.573 -5.512 -0.047 1.00 0.00 C ATOM 553 O CYS A 41 -2.487 -5.011 0.243 1.00 0.00 O ATOM 554 CB CYS A 41 -5.303 -5.152 -1.819 1.00 0.00 C ATOM 555 SG CYS A 41 -4.112 -5.096 -3.196 1.00 0.00 S ATOM 0 H CYS A 41 -4.023 -2.982 -1.549 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.523 -4.697 0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.642 -6.180 -1.687 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.178 -4.560 -2.085 1.00 0.00 H new ATOM 560 N SER A 42 -3.802 -6.821 0.001 1.00 0.00 N ATOM 561 CA SER A 42 -2.768 -7.763 0.411 1.00 0.00 C ATOM 562 C SER A 42 -1.890 -8.155 -0.774 1.00 0.00 C ATOM 563 O SER A 42 -1.112 -9.106 -0.696 1.00 0.00 O ATOM 564 CB SER A 42 -3.402 -9.013 1.026 1.00 0.00 C ATOM 565 OG SER A 42 -2.412 -9.883 1.546 1.00 0.00 O ATOM 0 H SER A 42 -4.694 -7.253 -0.239 1.00 0.00 H new ATOM 0 HA SER A 42 -2.143 -7.276 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.089 -8.723 1.821 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.990 -9.535 0.271 1.00 0.00 H new ATOM 0 HG SER A 42 -1.599 -9.815 1.003 1.00 0.00 H new ATOM 571 N ARG A 43 -2.020 -7.414 -1.869 1.00 0.00 N ATOM 572 CA ARG A 43 -1.240 -7.684 -3.071 1.00 0.00 C ATOM 573 C ARG A 43 -0.379 -6.480 -3.442 1.00 0.00 C ATOM 574 O ARG A 43 0.683 -6.626 -4.047 1.00 0.00 O ATOM 575 CB ARG A 43 -2.166 -8.041 -4.236 1.00 0.00 C ATOM 576 CG ARG A 43 -1.425 -8.449 -5.499 1.00 0.00 C ATOM 577 CD ARG A 43 -2.300 -9.296 -6.409 1.00 0.00 C ATOM 578 NE ARG A 43 -1.615 -9.657 -7.647 1.00 0.00 N ATOM 579 CZ ARG A 43 -1.984 -10.670 -8.423 1.00 0.00 C ATOM 580 NH1 ARG A 43 -3.027 -11.418 -8.091 1.00 0.00 N ATOM 581 NH2 ARG A 43 -1.310 -10.936 -9.535 1.00 0.00 N ATOM 0 H ARG A 43 -2.658 -6.622 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.583 -8.529 -2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.823 -8.856 -3.931 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.803 -7.185 -4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.097 -7.558 -6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.528 -9.008 -5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.599 -10.202 -5.883 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.213 -8.749 -6.646 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.809 -9.101 -7.932 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.548 -11.216 -7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.308 -12.195 -8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.508 -10.362 -9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.594 -11.714 -10.130 1.00 0.00 H new ATOM 595 N CYS A 44 -0.844 -5.291 -3.075 1.00 0.00 N ATOM 596 CA CYS A 44 -0.119 -4.061 -3.368 1.00 0.00 C ATOM 597 C CYS A 44 0.815 -3.693 -2.219 1.00 0.00 C ATOM 598 O CYS A 44 1.923 -3.202 -2.439 1.00 0.00 O ATOM 599 CB CYS A 44 -1.099 -2.916 -3.631 1.00 0.00 C ATOM 600 SG CYS A 44 -1.993 -3.051 -5.212 1.00 0.00 S ATOM 0 H CYS A 44 -1.721 -5.153 -2.573 1.00 0.00 H new ATOM 0 HA CYS A 44 0.482 -4.228 -4.262 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.824 -2.879 -2.818 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.552 -1.973 -3.614 1.00 0.00 H new ATOM 605 N CYS A 45 0.360 -3.933 -0.995 1.00 0.00 N ATOM 606 CA CYS A 45 1.154 -3.626 0.190 1.00 0.00 C ATOM 607 C CYS A 45 1.952 -4.845 0.640 1.00 0.00 C ATOM 608 O CYS A 45 2.036 -5.139 1.833 1.00 0.00 O ATOM 609 CB CYS A 45 0.249 -3.146 1.326 1.00 0.00 C ATOM 610 SG CYS A 45 1.142 -2.570 2.789 1.00 0.00 S ATOM 0 H CYS A 45 -0.554 -4.339 -0.796 1.00 0.00 H new ATOM 0 HA CYS A 45 1.854 -2.831 -0.068 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.381 -2.337 0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.415 -3.960 1.616 1.00 0.00 H new ATOM 0 HG CYS A 45 1.959 -3.498 3.192 1.00 0.00 H new ATOM 616 N SER A 46 2.537 -5.551 -0.322 1.00 0.00 N ATOM 617 CA SER A 46 3.324 -6.742 -0.026 1.00 0.00 C ATOM 618 C SER A 46 4.751 -6.593 -0.544 1.00 0.00 C ATOM 619 O SER A 46 5.320 -7.527 -1.109 1.00 0.00 O ATOM 620 CB SER A 46 2.671 -7.979 -0.645 1.00 0.00 C ATOM 621 OG SER A 46 1.785 -8.600 0.269 1.00 0.00 O ATOM 0 H SER A 46 2.481 -5.319 -1.314 1.00 0.00 H new ATOM 0 HA SER A 46 3.360 -6.863 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.128 -7.695 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.442 -8.688 -0.948 1.00 0.00 H new ATOM 0 HG SER A 46 0.900 -8.690 -0.143 1.00 0.00 H new ATOM 627 N PHE A 47 5.324 -5.410 -0.349 1.00 0.00 N ATOM 628 CA PHE A 47 6.685 -5.136 -0.797 1.00 0.00 C ATOM 629 C PHE A 47 7.589 -4.798 0.384 1.00 0.00 C ATOM 630 O PHE A 47 7.374 -3.808 1.083 1.00 0.00 O ATOM 631 CB PHE A 47 6.690 -3.983 -1.804 1.00 0.00 C ATOM 632 CG PHE A 47 6.114 -4.353 -3.141 1.00 0.00 C ATOM 633 CD1 PHE A 47 6.908 -4.942 -4.113 1.00 0.00 C ATOM 634 CD2 PHE A 47 4.780 -4.112 -3.426 1.00 0.00 C ATOM 635 CE1 PHE A 47 6.380 -5.282 -5.344 1.00 0.00 C ATOM 636 CE2 PHE A 47 4.247 -4.450 -4.656 1.00 0.00 C ATOM 637 CZ PHE A 47 5.048 -5.037 -5.616 1.00 0.00 C ATOM 0 H PHE A 47 4.867 -4.626 0.116 1.00 0.00 H new ATOM 0 HA PHE A 47 7.070 -6.034 -1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.123 -3.148 -1.391 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.714 -3.636 -1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.950 -5.137 -3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.149 -3.655 -2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.009 -5.739 -6.094 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.206 -4.255 -4.866 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.634 -5.304 -6.577 1.00 0.00 H new ATOM 647 N LYS A 48 8.602 -5.629 0.602 1.00 0.00 N ATOM 648 CA LYS A 48 9.542 -5.421 1.698 1.00 0.00 C ATOM 649 C LYS A 48 10.610 -4.403 1.312 1.00 0.00 C ATOM 650 O LYS A 48 11.397 -4.632 0.393 1.00 0.00 O ATOM 651 CB LYS A 48 10.201 -6.745 2.090 1.00 0.00 C ATOM 652 CG LYS A 48 9.273 -7.690 2.834 1.00 0.00 C ATOM 653 CD LYS A 48 10.026 -8.886 3.392 1.00 0.00 C ATOM 654 CE LYS A 48 10.675 -8.562 4.729 1.00 0.00 C ATOM 655 NZ LYS A 48 11.370 -9.744 5.309 1.00 0.00 N ATOM 0 H LYS A 48 8.794 -6.454 0.034 1.00 0.00 H new ATOM 0 HA LYS A 48 8.987 -5.033 2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.565 -7.240 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.071 -6.538 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.784 -7.155 3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.488 -8.035 2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.340 -9.725 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.791 -9.199 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.389 -7.749 4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.915 -8.210 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.799 -9.482 6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.684 -10.512 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.113 -10.065 4.656 1.00 0.00 H new ATOM 669 N VAL A 49 10.634 -3.279 2.022 1.00 0.00 N ATOM 670 CA VAL A 49 11.608 -2.227 1.755 1.00 0.00 C ATOM 671 C VAL A 49 12.175 -1.662 3.053 1.00 0.00 C ATOM 672 O VAL A 49 11.517 -1.649 4.093 1.00 0.00 O ATOM 673 CB VAL A 49 10.986 -1.081 0.937 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.375 -1.613 -0.350 1.00 0.00 C ATOM 675 CG2 VAL A 49 9.946 -0.340 1.763 1.00 0.00 C ATOM 0 H VAL A 49 9.990 -3.074 2.786 1.00 0.00 H new ATOM 0 HA VAL A 49 12.413 -2.680 1.177 1.00 0.00 H new ATOM 0 HB VAL A 49 11.776 -0.378 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.940 -0.788 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.149 -2.094 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.597 -2.338 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.517 0.467 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.157 -1.031 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.418 0.076 2.653 1.00 0.00 H new ATOM 685 N PRO A 50 13.426 -1.182 2.992 1.00 0.00 N ATOM 686 CA PRO A 50 14.109 -0.605 4.153 1.00 0.00 C ATOM 687 C PRO A 50 13.511 0.734 4.572 1.00 0.00 C ATOM 688 O PRO A 50 13.313 1.624 3.744 1.00 0.00 O ATOM 689 CB PRO A 50 15.547 -0.418 3.662 1.00 0.00 C ATOM 690 CG PRO A 50 15.429 -0.294 2.182 1.00 0.00 C ATOM 691 CD PRO A 50 14.269 -1.165 1.785 1.00 0.00 C ATOM 0 HA PRO A 50 14.024 -1.242 5.033 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.002 0.471 4.099 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.173 -1.266 3.940 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.257 0.742 1.890 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.346 -0.617 1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.735 -0.756 0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.595 -2.168 1.509 1.00 0.00 H new ATOM 699 N LYS A 51 13.225 0.872 5.862 1.00 0.00 N ATOM 700 CA LYS A 51 12.651 2.103 6.392 1.00 0.00 C ATOM 701 C LYS A 51 13.741 3.125 6.697 1.00 0.00 C ATOM 702 O LYS A 51 13.539 4.329 6.539 1.00 0.00 O ATOM 703 CB LYS A 51 11.843 1.810 7.658 1.00 0.00 C ATOM 704 CG LYS A 51 12.671 1.211 8.782 1.00 0.00 C ATOM 705 CD LYS A 51 12.117 1.590 10.145 1.00 0.00 C ATOM 706 CE LYS A 51 10.941 0.707 10.534 1.00 0.00 C ATOM 707 NZ LYS A 51 10.254 1.205 11.758 1.00 0.00 N ATOM 0 H LYS A 51 13.382 0.145 6.561 1.00 0.00 H new ATOM 0 HA LYS A 51 11.988 2.520 5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.384 2.735 8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.032 1.125 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.688 0.126 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.702 1.555 8.699 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.903 1.503 10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.802 2.633 10.133 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.229 0.666 9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.292 -0.311 10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.459 0.576 11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.926 1.220 12.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.897 2.167 11.589 1.00 0.00 H new ATOM 721 N SER A 52 14.898 2.637 7.133 1.00 0.00 N ATOM 722 CA SER A 52 16.020 3.508 7.462 1.00 0.00 C ATOM 723 C SER A 52 16.116 4.667 6.475 1.00 0.00 C ATOM 724 O SER A 52 16.191 5.830 6.871 1.00 0.00 O ATOM 725 CB SER A 52 17.328 2.714 7.461 1.00 0.00 C ATOM 726 OG SER A 52 17.497 2.011 6.242 1.00 0.00 O ATOM 0 H SER A 52 15.083 1.643 7.267 1.00 0.00 H new ATOM 0 HA SER A 52 15.851 3.915 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 52 18.168 3.391 7.613 1.00 0.00 H new ATOM 0 HB3 SER A 52 17.331 2.010 8.294 1.00 0.00 H new ATOM 0 HG SER A 52 18.126 1.271 6.375 1.00 0.00 H new ATOM 732 N SER A 53 16.112 4.341 5.186 1.00 0.00 N ATOM 733 CA SER A 53 16.201 5.353 4.141 1.00 0.00 C ATOM 734 C SER A 53 15.112 6.408 4.310 1.00 0.00 C ATOM 735 O SER A 53 15.396 7.602 4.388 1.00 0.00 O ATOM 736 CB SER A 53 16.088 4.703 2.761 1.00 0.00 C ATOM 737 OG SER A 53 17.236 3.926 2.467 1.00 0.00 O ATOM 0 H SER A 53 16.048 3.383 4.841 1.00 0.00 H new ATOM 0 HA SER A 53 17.171 5.842 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.199 4.073 2.724 1.00 0.00 H new ATOM 0 HB3 SER A 53 15.963 5.475 2.001 1.00 0.00 H new ATOM 0 HG SER A 53 17.138 3.520 1.580 1.00 0.00 H new ATOM 743 N MET A 54 13.863 5.955 4.367 1.00 0.00 N ATOM 744 CA MET A 54 12.730 6.858 4.528 1.00 0.00 C ATOM 745 C MET A 54 12.908 7.739 5.761 1.00 0.00 C ATOM 746 O MET A 54 13.435 7.297 6.781 1.00 0.00 O ATOM 747 CB MET A 54 11.428 6.063 4.640 1.00 0.00 C ATOM 748 CG MET A 54 10.985 5.436 3.328 1.00 0.00 C ATOM 749 SD MET A 54 11.810 3.868 2.994 1.00 0.00 S ATOM 750 CE MET A 54 10.589 2.706 3.601 1.00 0.00 C ATOM 0 H MET A 54 13.611 4.969 4.304 1.00 0.00 H new ATOM 0 HA MET A 54 12.681 7.499 3.648 1.00 0.00 H new ATOM 0 HB2 MET A 54 11.555 5.277 5.385 1.00 0.00 H new ATOM 0 HB3 MET A 54 10.639 6.722 5.003 1.00 0.00 H new ATOM 0 HG2 MET A 54 9.907 5.277 3.352 1.00 0.00 H new ATOM 0 HG3 MET A 54 11.187 6.130 2.512 1.00 0.00 H new ATOM 0 HE1 MET A 54 11.081 1.775 3.881 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.087 3.127 4.472 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.855 2.508 2.820 1.00 0.00 H new ATOM 760 N GLY A 55 12.465 8.989 5.659 1.00 0.00 N ATOM 761 CA GLY A 55 12.586 9.912 6.773 1.00 0.00 C ATOM 762 C GLY A 55 14.026 10.284 7.064 1.00 0.00 C ATOM 763 O GLY A 55 14.730 10.794 6.194 1.00 0.00 O ATOM 0 H GLY A 55 12.025 9.379 4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 55 12.017 10.816 6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.143 9.463 7.662 1.00 0.00 H new ATOM 767 N ALA A 56 14.464 10.030 8.293 1.00 0.00 N ATOM 768 CA ALA A 56 15.830 10.341 8.697 1.00 0.00 C ATOM 769 C ALA A 56 16.477 9.156 9.405 1.00 0.00 C ATOM 770 O ALA A 56 16.066 8.774 10.501 1.00 0.00 O ATOM 771 CB ALA A 56 15.848 11.569 9.595 1.00 0.00 C ATOM 0 H ALA A 56 13.893 9.610 9.026 1.00 0.00 H new ATOM 0 HA ALA A 56 16.409 10.553 7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.874 11.790 9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.434 12.421 9.055 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.249 11.378 10.485 1.00 0.00 H new ATOM 777 N THR A 57 17.491 8.575 8.771 1.00 0.00 N ATOM 778 CA THR A 57 18.194 7.432 9.340 1.00 0.00 C ATOM 779 C THR A 57 18.376 7.591 10.845 1.00 0.00 C ATOM 780 O THR A 57 18.852 8.624 11.316 1.00 0.00 O ATOM 781 CB THR A 57 19.574 7.239 8.685 1.00 0.00 C ATOM 782 OG1 THR A 57 20.263 8.492 8.615 1.00 0.00 O ATOM 783 CG2 THR A 57 19.433 6.653 7.288 1.00 0.00 C ATOM 0 H THR A 57 17.844 8.878 7.863 1.00 0.00 H new ATOM 0 HA THR A 57 17.580 6.553 9.142 1.00 0.00 H new ATOM 0 HB THR A 57 20.148 6.543 9.297 1.00 0.00 H new ATOM 0 HG1 THR A 57 20.046 9.029 9.405 1.00 0.00 H new ATOM 0 HG21 THR A 57 20.421 6.526 6.845 1.00 0.00 H new ATOM 0 HG22 THR A 57 18.935 5.685 7.348 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.842 7.328 6.668 1.00 0.00 H new ATOM 791 N ALA A 58 17.994 6.562 11.595 1.00 0.00 N ATOM 792 CA ALA A 58 18.118 6.588 13.047 1.00 0.00 C ATOM 793 C ALA A 58 18.952 5.413 13.547 1.00 0.00 C ATOM 794 O ALA A 58 19.103 4.395 12.871 1.00 0.00 O ATOM 795 CB ALA A 58 16.742 6.574 13.694 1.00 0.00 C ATOM 0 H ALA A 58 17.596 5.700 11.221 1.00 0.00 H new ATOM 0 HA ALA A 58 18.630 7.509 13.327 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.850 6.594 14.778 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.178 7.449 13.369 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.210 5.670 13.399 1.00 0.00 H new ATOM 801 N PRO A 59 19.508 5.556 14.759 1.00 0.00 N ATOM 802 CA PRO A 59 20.337 4.516 15.377 1.00 0.00 C ATOM 803 C PRO A 59 19.523 3.293 15.786 1.00 0.00 C ATOM 804 O PRO A 59 20.062 2.336 16.340 1.00 0.00 O ATOM 805 CB PRO A 59 20.916 5.211 16.612 1.00 0.00 C ATOM 806 CG PRO A 59 19.935 6.284 16.937 1.00 0.00 C ATOM 807 CD PRO A 59 19.371 6.742 15.621 1.00 0.00 C ATOM 0 HA PRO A 59 21.094 4.137 14.691 1.00 0.00 H new ATOM 0 HB2 PRO A 59 21.030 4.514 17.442 1.00 0.00 H new ATOM 0 HB3 PRO A 59 21.903 5.626 16.407 1.00 0.00 H new ATOM 0 HG2 PRO A 59 19.147 5.908 17.589 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.418 7.108 17.463 1.00 0.00 H new ATOM 0 HD2 PRO A 59 18.330 7.052 15.716 1.00 0.00 H new ATOM 0 HD3 PRO A 59 19.922 7.594 15.223 1.00 0.00 H new ATOM 815 N GLU A 60 18.224 3.332 15.508 1.00 0.00 N ATOM 816 CA GLU A 60 17.337 2.226 15.848 1.00 0.00 C ATOM 817 C GLU A 60 17.112 1.318 14.642 1.00 0.00 C ATOM 818 O GLU A 60 17.156 0.094 14.757 1.00 0.00 O ATOM 819 CB GLU A 60 15.995 2.757 16.357 1.00 0.00 C ATOM 820 CG GLU A 60 16.115 3.620 17.602 1.00 0.00 C ATOM 821 CD GLU A 60 16.106 2.805 18.880 1.00 0.00 C ATOM 822 OE1 GLU A 60 16.497 1.620 18.830 1.00 0.00 O ATOM 823 OE2 GLU A 60 15.708 3.351 19.930 1.00 0.00 O ATOM 0 H GLU A 60 17.763 4.117 15.048 1.00 0.00 H new ATOM 0 HA GLU A 60 17.812 1.643 16.637 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.520 3.338 15.566 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.338 1.914 16.571 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.037 4.198 17.551 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.292 4.334 17.625 1.00 0.00 H new ATOM 830 N ALA A 61 16.872 1.928 13.486 1.00 0.00 N ATOM 831 CA ALA A 61 16.642 1.176 12.259 1.00 0.00 C ATOM 832 C ALA A 61 17.750 1.431 11.243 1.00 0.00 C ATOM 833 O ALA A 61 17.940 2.559 10.789 1.00 0.00 O ATOM 834 CB ALA A 61 15.287 1.535 11.666 1.00 0.00 C ATOM 0 H ALA A 61 16.832 2.941 13.374 1.00 0.00 H new ATOM 0 HA ALA A 61 16.649 0.114 12.506 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.128 0.966 10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.501 1.296 12.383 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.260 2.601 11.440 1.00 0.00 H new ATOM 840 N GLN A 62 18.479 0.376 10.892 1.00 0.00 N ATOM 841 CA GLN A 62 19.570 0.488 9.931 1.00 0.00 C ATOM 842 C GLN A 62 19.327 -0.413 8.725 1.00 0.00 C ATOM 843 O GLN A 62 19.511 0.001 7.580 1.00 0.00 O ATOM 844 CB GLN A 62 20.900 0.126 10.593 1.00 0.00 C ATOM 845 CG GLN A 62 21.227 0.978 11.809 1.00 0.00 C ATOM 846 CD GLN A 62 21.838 2.314 11.438 1.00 0.00 C ATOM 847 OE1 GLN A 62 21.562 2.861 10.369 1.00 0.00 O ATOM 848 NE2 GLN A 62 22.673 2.849 12.321 1.00 0.00 N ATOM 0 H GLN A 62 18.334 -0.565 11.258 1.00 0.00 H new ATOM 0 HA GLN A 62 19.613 1.521 9.587 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.875 -0.922 10.891 1.00 0.00 H new ATOM 0 HB3 GLN A 62 21.701 0.230 9.861 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.317 1.146 12.385 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.917 0.434 12.454 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.873 2.361 13.194 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.114 3.748 12.126 1.00 0.00 H new ATOM 857 N ARG A 63 18.912 -1.648 8.989 1.00 0.00 N ATOM 858 CA ARG A 63 18.645 -2.609 7.925 1.00 0.00 C ATOM 859 C ARG A 63 17.277 -3.259 8.110 1.00 0.00 C ATOM 860 O ARG A 63 17.040 -4.371 7.640 1.00 0.00 O ATOM 861 CB ARG A 63 19.733 -3.684 7.895 1.00 0.00 C ATOM 862 CG ARG A 63 20.086 -4.232 9.269 1.00 0.00 C ATOM 863 CD ARG A 63 19.248 -5.453 9.614 1.00 0.00 C ATOM 864 NE ARG A 63 19.470 -6.551 8.678 1.00 0.00 N ATOM 865 CZ ARG A 63 19.270 -7.828 8.983 1.00 0.00 C ATOM 866 NH1 ARG A 63 18.845 -8.166 10.193 1.00 0.00 N ATOM 867 NH2 ARG A 63 19.494 -8.771 8.076 1.00 0.00 N ATOM 0 H ARG A 63 18.753 -2.007 9.931 1.00 0.00 H new ATOM 0 HA ARG A 63 18.648 -2.073 6.976 1.00 0.00 H new ATOM 0 HB2 ARG A 63 19.403 -4.506 7.259 1.00 0.00 H new ATOM 0 HB3 ARG A 63 20.631 -3.268 7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 63 21.143 -4.496 9.296 1.00 0.00 H new ATOM 0 HG3 ARG A 63 19.931 -3.459 10.021 1.00 0.00 H new ATOM 0 HD2 ARG A 63 19.488 -5.784 10.624 1.00 0.00 H new ATOM 0 HD3 ARG A 63 18.192 -5.181 9.610 1.00 0.00 H new ATOM 0 HE ARG A 63 19.797 -6.325 7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 63 18.671 -7.444 10.892 1.00 0.00 H new ATOM 0 HH12 ARG A 63 18.692 -9.148 10.424 1.00 0.00 H new ATOM 0 HH21 ARG A 63 19.820 -8.515 7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.340 -9.752 8.311 1.00 0.00 H new ATOM 881 N GLU A 64 16.382 -2.556 8.798 1.00 0.00 N ATOM 882 CA GLU A 64 15.039 -3.067 9.046 1.00 0.00 C ATOM 883 C GLU A 64 14.258 -3.198 7.741 1.00 0.00 C ATOM 884 O GLU A 64 14.660 -2.666 6.706 1.00 0.00 O ATOM 885 CB GLU A 64 14.289 -2.145 10.010 1.00 0.00 C ATOM 886 CG GLU A 64 13.259 -2.866 10.863 1.00 0.00 C ATOM 887 CD GLU A 64 13.849 -4.038 11.624 1.00 0.00 C ATOM 888 OE1 GLU A 64 14.910 -3.859 12.258 1.00 0.00 O ATOM 889 OE2 GLU A 64 13.249 -5.133 11.586 1.00 0.00 O ATOM 0 H GLU A 64 16.562 -1.633 9.193 1.00 0.00 H new ATOM 0 HA GLU A 64 15.131 -4.055 9.496 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.009 -1.653 10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.791 -1.362 9.438 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.821 -2.162 11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.450 -3.222 10.225 1.00 0.00 H new ATOM 896 N THR A 65 13.138 -3.913 7.798 1.00 0.00 N ATOM 897 CA THR A 65 12.301 -4.117 6.623 1.00 0.00 C ATOM 898 C THR A 65 10.837 -3.830 6.934 1.00 0.00 C ATOM 899 O THR A 65 10.321 -4.236 7.975 1.00 0.00 O ATOM 900 CB THR A 65 12.427 -5.555 6.086 1.00 0.00 C ATOM 901 OG1 THR A 65 12.281 -6.493 7.158 1.00 0.00 O ATOM 902 CG2 THR A 65 13.772 -5.763 5.405 1.00 0.00 C ATOM 0 H THR A 65 12.790 -4.360 8.646 1.00 0.00 H new ATOM 0 HA THR A 65 12.651 -3.420 5.861 1.00 0.00 H new ATOM 0 HB THR A 65 11.637 -5.715 5.352 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.361 -7.405 6.808 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.838 -6.786 5.034 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.869 -5.068 4.571 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.574 -5.585 6.121 1.00 0.00 H new ATOM 910 N VAL A 66 10.170 -3.126 6.024 1.00 0.00 N ATOM 911 CA VAL A 66 8.764 -2.786 6.200 1.00 0.00 C ATOM 912 C VAL A 66 7.961 -3.097 4.942 1.00 0.00 C ATOM 913 O VAL A 66 8.526 -3.340 3.876 1.00 0.00 O ATOM 914 CB VAL A 66 8.587 -1.297 6.554 1.00 0.00 C ATOM 915 CG1 VAL A 66 9.314 -0.965 7.848 1.00 0.00 C ATOM 916 CG2 VAL A 66 9.079 -0.417 5.415 1.00 0.00 C ATOM 0 H VAL A 66 10.582 -2.780 5.157 1.00 0.00 H new ATOM 0 HA VAL A 66 8.392 -3.395 7.024 1.00 0.00 H new ATOM 0 HB VAL A 66 7.525 -1.100 6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.177 0.091 8.081 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.909 -1.571 8.659 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.377 -1.177 7.733 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.947 0.631 5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.135 -0.614 5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.508 -0.637 4.513 1.00 0.00 H new ATOM 926 N PHE A 67 6.638 -3.087 5.074 1.00 0.00 N ATOM 927 CA PHE A 67 5.756 -3.369 3.947 1.00 0.00 C ATOM 928 C PHE A 67 5.181 -2.078 3.370 1.00 0.00 C ATOM 929 O PHE A 67 4.547 -1.297 4.079 1.00 0.00 O ATOM 930 CB PHE A 67 4.620 -4.297 4.382 1.00 0.00 C ATOM 931 CG PHE A 67 5.053 -5.721 4.583 1.00 0.00 C ATOM 932 CD1 PHE A 67 5.659 -6.427 3.556 1.00 0.00 C ATOM 933 CD2 PHE A 67 4.855 -6.354 5.799 1.00 0.00 C ATOM 934 CE1 PHE A 67 6.057 -7.737 3.738 1.00 0.00 C ATOM 935 CE2 PHE A 67 5.252 -7.665 5.988 1.00 0.00 C ATOM 936 CZ PHE A 67 5.855 -8.357 4.956 1.00 0.00 C ATOM 0 H PHE A 67 6.154 -2.887 5.949 1.00 0.00 H new ATOM 0 HA PHE A 67 6.343 -3.862 3.172 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.190 -3.922 5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.830 -4.268 3.631 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.822 -5.947 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.385 -5.817 6.609 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.526 -8.277 2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.091 -8.147 6.941 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.168 -9.380 5.101 1.00 0.00 H new ATOM 946 N VAL A 68 5.409 -1.862 2.079 1.00 0.00 N ATOM 947 CA VAL A 68 4.914 -0.667 1.405 1.00 0.00 C ATOM 948 C VAL A 68 4.057 -1.032 0.199 1.00 0.00 C ATOM 949 O VAL A 68 3.991 -2.194 -0.201 1.00 0.00 O ATOM 950 CB VAL A 68 6.072 0.237 0.943 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.940 0.640 2.126 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.902 -0.463 -0.122 1.00 0.00 C ATOM 0 H VAL A 68 5.933 -2.498 1.479 1.00 0.00 H new ATOM 0 HA VAL A 68 4.306 -0.124 2.129 1.00 0.00 H new ATOM 0 HB VAL A 68 5.650 1.142 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.753 1.278 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.336 1.183 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.354 -0.253 2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.716 0.190 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.315 -1.386 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.271 -0.696 -0.980 1.00 0.00 H new ATOM 962 N CYS A 69 3.401 -0.031 -0.378 1.00 0.00 N ATOM 963 CA CYS A 69 2.546 -0.244 -1.540 1.00 0.00 C ATOM 964 C CYS A 69 3.348 -0.131 -2.833 1.00 0.00 C ATOM 965 O CYS A 69 4.255 0.694 -2.943 1.00 0.00 O ATOM 966 CB CYS A 69 1.398 0.767 -1.548 1.00 0.00 C ATOM 967 SG CYS A 69 1.916 2.476 -1.908 1.00 0.00 S ATOM 0 H CYS A 69 3.445 0.937 -0.059 1.00 0.00 H new ATOM 0 HA CYS A 69 2.133 -1.251 -1.476 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.661 0.458 -2.289 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.902 0.746 -0.578 1.00 0.00 H new ATOM 972 N ALA A 70 3.007 -0.965 -3.810 1.00 0.00 N ATOM 973 CA ALA A 70 3.693 -0.957 -5.096 1.00 0.00 C ATOM 974 C ALA A 70 4.033 0.465 -5.528 1.00 0.00 C ATOM 975 O ALA A 70 5.179 0.765 -5.863 1.00 0.00 O ATOM 976 CB ALA A 70 2.840 -1.642 -6.153 1.00 0.00 C ATOM 0 H ALA A 70 2.259 -1.655 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 70 4.627 -1.508 -4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.364 -1.629 -7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.652 -2.674 -5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.891 -1.115 -6.253 1.00 0.00 H new ATOM 982 N SER A 71 3.030 1.337 -5.519 1.00 0.00 N ATOM 983 CA SER A 71 3.223 2.727 -5.914 1.00 0.00 C ATOM 984 C SER A 71 4.467 3.313 -5.253 1.00 0.00 C ATOM 985 O SER A 71 5.241 4.031 -5.887 1.00 0.00 O ATOM 986 CB SER A 71 1.994 3.560 -5.542 1.00 0.00 C ATOM 987 OG SER A 71 2.062 4.853 -6.118 1.00 0.00 O ATOM 0 H SER A 71 2.076 1.105 -5.243 1.00 0.00 H new ATOM 0 HA SER A 71 3.360 2.756 -6.995 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.091 3.054 -5.882 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.923 3.645 -4.458 1.00 0.00 H new ATOM 0 HG SER A 71 1.265 5.365 -5.867 1.00 0.00 H new ATOM 993 N CYS A 72 4.653 3.001 -3.975 1.00 0.00 N ATOM 994 CA CYS A 72 5.801 3.495 -3.226 1.00 0.00 C ATOM 995 C CYS A 72 7.052 2.683 -3.549 1.00 0.00 C ATOM 996 O CYS A 72 8.044 3.220 -4.040 1.00 0.00 O ATOM 997 CB CYS A 72 5.519 3.440 -1.723 1.00 0.00 C ATOM 998 SG CYS A 72 4.266 4.636 -1.158 1.00 0.00 S ATOM 0 H CYS A 72 4.022 2.407 -3.436 1.00 0.00 H new ATOM 0 HA CYS A 72 5.975 4.530 -3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.189 2.434 -1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.448 3.621 -1.183 1.00 0.00 H new ATOM 1003 N ASN A 73 6.996 1.384 -3.270 1.00 0.00 N ATOM 1004 CA ASN A 73 8.124 0.497 -3.531 1.00 0.00 C ATOM 1005 C ASN A 73 8.847 0.899 -4.812 1.00 0.00 C ATOM 1006 O ASN A 73 10.076 0.883 -4.874 1.00 0.00 O ATOM 1007 CB ASN A 73 7.646 -0.952 -3.635 1.00 0.00 C ATOM 1008 CG ASN A 73 8.780 -1.915 -3.932 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.295 -2.581 -3.034 1.00 0.00 O ATOM 1010 ND2 ASN A 73 9.174 -1.992 -5.198 1.00 0.00 N ATOM 0 H ASN A 73 6.182 0.923 -2.864 1.00 0.00 H new ATOM 0 HA ASN A 73 8.822 0.583 -2.699 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.163 -1.240 -2.701 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.893 -1.028 -4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.932 -2.622 -5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.718 -1.421 -5.910 1.00 0.00 H new ATOM 1017 N GLN A 74 8.076 1.259 -5.833 1.00 0.00 N ATOM 1018 CA GLN A 74 8.643 1.665 -7.113 1.00 0.00 C ATOM 1019 C GLN A 74 9.426 2.967 -6.973 1.00 0.00 C ATOM 1020 O GLN A 74 10.547 3.087 -7.468 1.00 0.00 O ATOM 1021 CB GLN A 74 7.536 1.831 -8.156 1.00 0.00 C ATOM 1022 CG GLN A 74 7.133 0.529 -8.828 1.00 0.00 C ATOM 1023 CD GLN A 74 6.361 -0.391 -7.902 1.00 0.00 C ATOM 1024 OE1 GLN A 74 6.912 -0.930 -6.942 1.00 0.00 O ATOM 1025 NE2 GLN A 74 5.077 -0.575 -8.187 1.00 0.00 N ATOM 0 H GLN A 74 7.057 1.278 -5.798 1.00 0.00 H new ATOM 0 HA GLN A 74 9.328 0.884 -7.442 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.660 2.269 -7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.869 2.536 -8.918 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.524 0.750 -9.705 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.027 0.015 -9.182 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.661 -0.108 -8.993 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.506 -1.183 -7.600 1.00 0.00 H new ATOM 1034 N THR A 75 8.827 3.942 -6.296 1.00 0.00 N ATOM 1035 CA THR A 75 9.467 5.236 -6.093 1.00 0.00 C ATOM 1036 C THR A 75 10.673 5.113 -5.168 1.00 0.00 C ATOM 1037 O THR A 75 11.766 5.580 -5.491 1.00 0.00 O ATOM 1038 CB THR A 75 8.483 6.262 -5.501 1.00 0.00 C ATOM 1039 OG1 THR A 75 7.384 6.461 -6.398 1.00 0.00 O ATOM 1040 CG2 THR A 75 9.178 7.590 -5.239 1.00 0.00 C ATOM 0 H THR A 75 7.900 3.860 -5.879 1.00 0.00 H new ATOM 0 HA THR A 75 9.797 5.583 -7.072 1.00 0.00 H new ATOM 0 HB THR A 75 8.112 5.872 -4.553 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.740 5.730 -6.293 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.463 8.299 -4.821 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.995 7.440 -4.533 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.575 7.984 -6.175 1.00 0.00 H new ATOM 1048 N LEU A 76 10.468 4.483 -4.017 1.00 0.00 N ATOM 1049 CA LEU A 76 11.540 4.298 -3.045 1.00 0.00 C ATOM 1050 C LEU A 76 12.771 3.682 -3.701 1.00 0.00 C ATOM 1051 O LEU A 76 13.860 4.254 -3.661 1.00 0.00 O ATOM 1052 CB LEU A 76 11.063 3.410 -1.894 1.00 0.00 C ATOM 1053 CG LEU A 76 9.825 3.895 -1.139 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.328 2.822 -0.183 1.00 0.00 C ATOM 1055 CD2 LEU A 76 10.129 5.183 -0.388 1.00 0.00 C ATOM 0 H LEU A 76 9.570 4.092 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 76 11.813 5.277 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.856 2.416 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.880 3.304 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 76 9.037 4.099 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.447 3.185 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.070 1.925 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.111 2.586 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.237 5.514 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.933 5.006 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.436 5.953 -1.096 1.00 0.00 H new ATOM 1067 N SER A 77 12.589 2.514 -4.309 1.00 0.00 N ATOM 1068 CA SER A 77 13.685 1.819 -4.973 1.00 0.00 C ATOM 1069 C SER A 77 14.535 2.794 -5.783 1.00 0.00 C ATOM 1070 O SER A 77 15.764 2.736 -5.755 1.00 0.00 O ATOM 1071 CB SER A 77 13.141 0.719 -5.887 1.00 0.00 C ATOM 1072 OG SER A 77 12.457 1.272 -6.998 1.00 0.00 O ATOM 0 H SER A 77 11.693 2.029 -4.355 1.00 0.00 H new ATOM 0 HA SER A 77 14.313 1.366 -4.206 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.962 0.093 -6.236 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.466 0.075 -5.324 1.00 0.00 H new ATOM 0 HG SER A 77 11.797 1.924 -6.684 1.00 0.00 H new ATOM 1078 N LYS A 78 13.870 3.691 -6.503 1.00 0.00 N ATOM 1079 CA LYS A 78 14.561 4.681 -7.321 1.00 0.00 C ATOM 1080 C LYS A 78 15.201 5.756 -6.448 1.00 0.00 C ATOM 1081 O LYS A 78 15.012 5.775 -5.232 1.00 0.00 O ATOM 1082 CB LYS A 78 13.588 5.325 -8.311 1.00 0.00 C ATOM 1083 CG LYS A 78 13.407 4.528 -9.591 1.00 0.00 C ATOM 1084 CD LYS A 78 12.309 5.114 -10.462 1.00 0.00 C ATOM 1085 CE LYS A 78 12.807 6.313 -11.255 1.00 0.00 C ATOM 1086 NZ LYS A 78 11.944 6.593 -12.437 1.00 0.00 N ATOM 0 H LYS A 78 12.852 3.753 -6.537 1.00 0.00 H new ATOM 0 HA LYS A 78 15.349 4.171 -7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.618 5.446 -7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.946 6.323 -8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.344 4.513 -10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.165 3.494 -9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.940 4.351 -11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.468 5.414 -9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.834 7.190 -10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.829 6.130 -11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.316 7.417 -12.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.938 5.765 -13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.974 6.793 -12.119 1.00 0.00 H new ATOM 1100 N SER A 79 15.956 6.651 -7.077 1.00 0.00 N ATOM 1101 CA SER A 79 16.625 7.728 -6.357 1.00 0.00 C ATOM 1102 C SER A 79 15.672 8.395 -5.369 1.00 0.00 C ATOM 1103 O SER A 79 15.983 8.533 -4.187 1.00 0.00 O ATOM 1104 CB SER A 79 17.167 8.767 -7.340 1.00 0.00 C ATOM 1105 OG SER A 79 18.443 8.390 -7.829 1.00 0.00 O ATOM 0 H SER A 79 16.120 6.652 -8.084 1.00 0.00 H new ATOM 0 HA SER A 79 17.456 7.297 -5.799 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.474 8.880 -8.173 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.235 9.737 -6.848 1.00 0.00 H new ATOM 0 HG SER A 79 18.767 9.070 -8.457 1.00 0.00 H new ATOM 1111 N GLY A 80 14.509 8.806 -5.864 1.00 0.00 N ATOM 1112 CA GLY A 80 13.528 9.453 -5.013 1.00 0.00 C ATOM 1113 C GLY A 80 14.051 10.735 -4.396 1.00 0.00 C ATOM 1114 O GLY A 80 14.539 10.751 -3.266 1.00 0.00 O ATOM 0 H GLY A 80 14.229 8.702 -6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.634 9.673 -5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.231 8.767 -4.220 1.00 0.00 H new ATOM 1118 N PRO A 81 13.954 11.841 -5.149 1.00 0.00 N ATOM 1119 CA PRO A 81 14.417 13.154 -4.690 1.00 0.00 C ATOM 1120 C PRO A 81 13.546 13.719 -3.573 1.00 0.00 C ATOM 1121 O PRO A 81 13.985 14.571 -2.801 1.00 0.00 O ATOM 1122 CB PRO A 81 14.311 14.026 -5.944 1.00 0.00 C ATOM 1123 CG PRO A 81 13.262 13.370 -6.773 1.00 0.00 C ATOM 1124 CD PRO A 81 13.383 11.896 -6.505 1.00 0.00 C ATOM 0 HA PRO A 81 15.422 13.107 -4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.034 15.050 -5.692 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.262 14.074 -6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.270 13.735 -6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.408 13.587 -7.831 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.415 11.398 -6.554 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.030 11.407 -7.233 1.00 0.00 H new ATOM 1132 N SER A 82 12.309 13.239 -3.494 1.00 0.00 N ATOM 1133 CA SER A 82 11.375 13.698 -2.473 1.00 0.00 C ATOM 1134 C SER A 82 11.153 12.622 -1.415 1.00 0.00 C ATOM 1135 O SER A 82 11.233 11.428 -1.702 1.00 0.00 O ATOM 1136 CB SER A 82 10.039 14.085 -3.111 1.00 0.00 C ATOM 1137 OG SER A 82 9.133 14.578 -2.139 1.00 0.00 O ATOM 0 H SER A 82 11.931 12.532 -4.125 1.00 0.00 H new ATOM 0 HA SER A 82 11.807 14.574 -1.989 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.204 14.843 -3.876 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.606 13.218 -3.610 1.00 0.00 H new ATOM 0 HG SER A 82 8.288 14.820 -2.572 1.00 0.00 H new ATOM 1143 N SER A 83 10.874 13.054 -0.189 1.00 0.00 N ATOM 1144 CA SER A 83 10.644 12.129 0.914 1.00 0.00 C ATOM 1145 C SER A 83 9.901 10.886 0.434 1.00 0.00 C ATOM 1146 O SER A 83 10.247 9.763 0.798 1.00 0.00 O ATOM 1147 CB SER A 83 9.850 12.815 2.026 1.00 0.00 C ATOM 1148 OG SER A 83 8.589 13.258 1.554 1.00 0.00 O ATOM 0 H SER A 83 10.802 14.039 0.065 1.00 0.00 H new ATOM 0 HA SER A 83 11.613 11.822 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.708 12.123 2.856 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.416 13.663 2.411 1.00 0.00 H new ATOM 0 HG SER A 83 8.100 13.692 2.284 1.00 0.00 H new ATOM 1154 N GLY A 84 8.876 11.097 -0.386 1.00 0.00 N ATOM 1155 CA GLY A 84 8.098 9.986 -0.902 1.00 0.00 C ATOM 1156 C GLY A 84 8.942 9.006 -1.693 1.00 0.00 C ATOM 1157 O GLY A 84 9.761 9.438 -2.502 1.00 0.00 O ATOM 0 H GLY A 84 8.571 12.017 -0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.622 9.464 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.300 10.369 -1.538 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.213 -3.184 -4.522 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.565 3.601 0.009 1.00 0.00 ZN