USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=32 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 16 ASN :FLIP amide:sc= 0.166 F(o=-1.6,f=0.41) USER MOD Set 1.2: A 23 THR OG1 : rot -70:sc= 0.245 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00161 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 15:sc= 0.957 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.1!) USER MOD Single : A 13 ASN : amide:sc= -0.0606 K(o=-0.061,f=-3.3!) USER MOD Single : A 18 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -140:sc= -0.528 (180deg=-2.18!) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc=-0.00347 (180deg=-0.0984) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 99:sc= 0.136 USER MOD Single : A 35 ASN : amide:sc= 0.438 K(o=0.44,f=-0.14) USER MOD Single : A 38 ASN : amide:sc= -5.21! C(o=-5.2!,f=-5.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -25:sc= 0.888 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.591 USER MOD Single : A 46 SER OG : rot 62:sc= 0.73 USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.0358 (180deg=-0.547) USER MOD Single : A 51 LYS NZ :NH3+ -110:sc= 0 (180deg=-1.75) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 141:sc= -2.21 (180deg=-6.06!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 29:sc= 0.228 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.08 K(o=-2.1,f=-3.1!) USER MOD Single : A 74 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.13) USER MOD Single : A 75 THR OG1 : rot 86:sc= 0.334 USER MOD Single : A 77 SER OG : rot -62:sc= 0.181 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= -0.154 USER MOD Single : A 83 SER OG : rot 88:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.720 36.656 -12.856 1.00 0.00 N ATOM 2 CA GLY A 1 -17.602 36.725 -11.935 1.00 0.00 C ATOM 3 C GLY A 1 -16.263 36.662 -12.643 1.00 0.00 C ATOM 4 O GLY A 1 -15.715 35.581 -12.854 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.612 36.703 -12.323 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.672 37.454 -13.521 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.679 35.762 -13.385 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.664 37.650 -11.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.671 35.904 -11.222 1.00 0.00 H new ATOM 8 N SER A 2 -15.735 37.825 -13.011 1.00 0.00 N ATOM 9 CA SER A 2 -14.454 37.898 -13.705 1.00 0.00 C ATOM 10 C SER A 2 -13.397 37.069 -12.981 1.00 0.00 C ATOM 11 O SER A 2 -12.653 36.311 -13.603 1.00 0.00 O ATOM 12 CB SER A 2 -13.991 39.352 -13.815 1.00 0.00 C ATOM 13 OG SER A 2 -13.922 39.963 -12.539 1.00 0.00 O ATOM 0 H SER A 2 -16.174 38.730 -12.840 1.00 0.00 H new ATOM 0 HA SER A 2 -14.588 37.491 -14.707 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.012 39.390 -14.293 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.679 39.909 -14.452 1.00 0.00 H new ATOM 0 HG SER A 2 -13.622 40.891 -12.636 1.00 0.00 H new ATOM 19 N SER A 3 -13.336 37.221 -11.662 1.00 0.00 N ATOM 20 CA SER A 3 -12.368 36.491 -10.852 1.00 0.00 C ATOM 21 C SER A 3 -12.493 34.987 -11.081 1.00 0.00 C ATOM 22 O SER A 3 -13.595 34.441 -11.103 1.00 0.00 O ATOM 23 CB SER A 3 -12.566 36.811 -9.370 1.00 0.00 C ATOM 24 OG SER A 3 -12.533 38.209 -9.141 1.00 0.00 O ATOM 0 H SER A 3 -13.946 37.843 -11.131 1.00 0.00 H new ATOM 0 HA SER A 3 -11.369 36.805 -11.153 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.520 36.406 -9.032 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.787 36.325 -8.783 1.00 0.00 H new ATOM 0 HG SER A 3 -12.664 38.387 -8.186 1.00 0.00 H new ATOM 30 N GLY A 4 -11.353 34.324 -11.250 1.00 0.00 N ATOM 31 CA GLY A 4 -11.356 32.890 -11.475 1.00 0.00 C ATOM 32 C GLY A 4 -10.248 32.183 -10.720 1.00 0.00 C ATOM 33 O GLY A 4 -9.092 32.605 -10.760 1.00 0.00 O ATOM 0 H GLY A 4 -10.428 34.754 -11.235 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.319 32.479 -11.170 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.248 32.692 -12.542 1.00 0.00 H new ATOM 37 N SER A 5 -10.600 31.105 -10.027 1.00 0.00 N ATOM 38 CA SER A 5 -9.628 30.341 -9.255 1.00 0.00 C ATOM 39 C SER A 5 -10.234 29.030 -8.763 1.00 0.00 C ATOM 40 O SER A 5 -11.302 29.017 -8.152 1.00 0.00 O ATOM 41 CB SER A 5 -9.131 31.163 -8.065 1.00 0.00 C ATOM 42 OG SER A 5 -8.063 30.508 -7.402 1.00 0.00 O ATOM 0 H SER A 5 -11.552 30.741 -9.985 1.00 0.00 H new ATOM 0 HA SER A 5 -8.785 30.110 -9.906 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.803 32.144 -8.409 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.951 31.328 -7.366 1.00 0.00 H new ATOM 0 HG SER A 5 -7.762 31.055 -6.646 1.00 0.00 H new ATOM 48 N SER A 6 -9.544 27.927 -9.036 1.00 0.00 N ATOM 49 CA SER A 6 -10.014 26.609 -8.626 1.00 0.00 C ATOM 50 C SER A 6 -8.843 25.706 -8.253 1.00 0.00 C ATOM 51 O SER A 6 -8.032 25.339 -9.103 1.00 0.00 O ATOM 52 CB SER A 6 -10.833 25.965 -9.746 1.00 0.00 C ATOM 53 OG SER A 6 -10.004 25.588 -10.832 1.00 0.00 O ATOM 0 H SER A 6 -8.657 27.920 -9.540 1.00 0.00 H new ATOM 0 HA SER A 6 -10.648 26.734 -7.748 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.355 25.089 -9.361 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.595 26.664 -10.091 1.00 0.00 H new ATOM 0 HG SER A 6 -9.067 25.592 -10.545 1.00 0.00 H new ATOM 59 N GLY A 7 -8.761 25.350 -6.975 1.00 0.00 N ATOM 60 CA GLY A 7 -7.687 24.493 -6.510 1.00 0.00 C ATOM 61 C GLY A 7 -8.009 23.020 -6.671 1.00 0.00 C ATOM 62 O GLY A 7 -9.171 22.621 -6.604 1.00 0.00 O ATOM 0 H GLY A 7 -9.420 25.640 -6.253 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.776 24.725 -7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.486 24.705 -5.460 1.00 0.00 H new ATOM 66 N ARG A 8 -6.977 22.210 -6.887 1.00 0.00 N ATOM 67 CA ARG A 8 -7.156 20.774 -7.062 1.00 0.00 C ATOM 68 C ARG A 8 -7.450 20.097 -5.726 1.00 0.00 C ATOM 69 O ARG A 8 -7.195 20.662 -4.662 1.00 0.00 O ATOM 70 CB ARG A 8 -5.909 20.156 -7.696 1.00 0.00 C ATOM 71 CG ARG A 8 -4.668 20.257 -6.824 1.00 0.00 C ATOM 72 CD ARG A 8 -3.396 20.174 -7.653 1.00 0.00 C ATOM 73 NE ARG A 8 -3.187 21.376 -8.456 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.096 21.594 -9.182 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.121 20.696 -9.205 1.00 0.00 N ATOM 76 NH2 ARG A 8 -1.979 22.712 -9.886 1.00 0.00 N ATOM 0 H ARG A 8 -6.008 22.524 -6.945 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.007 20.617 -7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.105 19.106 -7.914 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.714 20.648 -8.649 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.684 21.198 -6.274 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.675 19.456 -6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.542 20.026 -6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.446 19.304 -8.308 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.919 22.087 -8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.208 19.835 -8.664 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.284 20.866 -9.763 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.727 23.405 -9.870 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.141 22.879 -10.443 1.00 0.00 H new ATOM 90 N TYR A 9 -7.987 18.884 -5.790 1.00 0.00 N ATOM 91 CA TYR A 9 -8.318 18.130 -4.586 1.00 0.00 C ATOM 92 C TYR A 9 -7.900 16.670 -4.725 1.00 0.00 C ATOM 93 O TYR A 9 -8.024 16.060 -5.787 1.00 0.00 O ATOM 94 CB TYR A 9 -9.818 18.218 -4.300 1.00 0.00 C ATOM 95 CG TYR A 9 -10.671 18.247 -5.549 1.00 0.00 C ATOM 96 CD1 TYR A 9 -11.042 17.071 -6.189 1.00 0.00 C ATOM 97 CD2 TYR A 9 -11.107 19.452 -6.087 1.00 0.00 C ATOM 98 CE1 TYR A 9 -11.821 17.094 -7.329 1.00 0.00 C ATOM 99 CE2 TYR A 9 -11.887 19.484 -7.227 1.00 0.00 C ATOM 100 CZ TYR A 9 -12.241 18.303 -7.845 1.00 0.00 C ATOM 101 OH TYR A 9 -13.018 18.329 -8.980 1.00 0.00 O ATOM 0 H TYR A 9 -8.203 18.401 -6.662 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.770 18.568 -3.752 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.113 17.366 -3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.016 19.115 -3.714 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -10.716 16.123 -5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -10.832 20.379 -5.606 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -12.100 16.170 -7.814 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -12.218 20.429 -7.632 1.00 0.00 H new ATOM 0 HH TYR A 9 -13.229 19.258 -9.211 1.00 0.00 H new ATOM 111 N PRO A 10 -7.392 16.094 -3.625 1.00 0.00 N ATOM 112 CA PRO A 10 -6.945 14.698 -3.597 1.00 0.00 C ATOM 113 C PRO A 10 -8.108 13.716 -3.694 1.00 0.00 C ATOM 114 O PRO A 10 -9.245 14.107 -3.959 1.00 0.00 O ATOM 115 CB PRO A 10 -6.253 14.574 -2.238 1.00 0.00 C ATOM 116 CG PRO A 10 -6.884 15.627 -1.394 1.00 0.00 C ATOM 117 CD PRO A 10 -7.215 16.761 -2.324 1.00 0.00 C ATOM 0 HA PRO A 10 -6.299 14.459 -4.442 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.398 13.583 -1.809 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.178 14.729 -2.326 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.782 15.249 -0.905 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.205 15.954 -0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.120 17.284 -2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.415 17.500 -2.357 1.00 0.00 H new ATOM 125 N THR A 11 -7.816 12.437 -3.477 1.00 0.00 N ATOM 126 CA THR A 11 -8.836 11.398 -3.541 1.00 0.00 C ATOM 127 C THR A 11 -9.606 11.303 -2.229 1.00 0.00 C ATOM 128 O THR A 11 -9.431 10.357 -1.462 1.00 0.00 O ATOM 129 CB THR A 11 -8.219 10.024 -3.862 1.00 0.00 C ATOM 130 OG1 THR A 11 -7.613 10.050 -5.159 1.00 0.00 O ATOM 131 CG2 THR A 11 -9.277 8.931 -3.813 1.00 0.00 C ATOM 0 H THR A 11 -6.881 12.096 -3.255 1.00 0.00 H new ATOM 0 HA THR A 11 -9.521 11.676 -4.342 1.00 0.00 H new ATOM 0 HB THR A 11 -7.460 9.807 -3.111 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.222 9.173 -5.355 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.818 7.970 -4.043 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.716 8.894 -2.816 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.056 9.145 -4.545 1.00 0.00 H new ATOM 139 N ASN A 12 -10.460 12.290 -1.976 1.00 0.00 N ATOM 140 CA ASN A 12 -11.257 12.317 -0.755 1.00 0.00 C ATOM 141 C ASN A 12 -12.028 11.011 -0.580 1.00 0.00 C ATOM 142 O ASN A 12 -12.113 10.473 0.523 1.00 0.00 O ATOM 143 CB ASN A 12 -12.231 13.496 -0.783 1.00 0.00 C ATOM 144 CG ASN A 12 -13.560 13.135 -1.419 1.00 0.00 C ATOM 145 OD1 ASN A 12 -14.405 12.494 -0.794 1.00 0.00 O ATOM 146 ND2 ASN A 12 -13.750 13.544 -2.667 1.00 0.00 N ATOM 0 H ASN A 12 -10.618 13.081 -2.600 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.578 12.435 0.090 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.402 13.846 0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.781 14.322 -1.333 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.624 13.329 -3.146 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.022 14.073 -3.147 1.00 0.00 H new ATOM 153 N ASN A 13 -12.586 10.508 -1.676 1.00 0.00 N ATOM 154 CA ASN A 13 -13.349 9.266 -1.644 1.00 0.00 C ATOM 155 C ASN A 13 -12.434 8.072 -1.387 1.00 0.00 C ATOM 156 O ASN A 13 -11.344 7.978 -1.951 1.00 0.00 O ATOM 157 CB ASN A 13 -14.102 9.071 -2.961 1.00 0.00 C ATOM 158 CG ASN A 13 -15.303 8.158 -2.811 1.00 0.00 C ATOM 159 OD1 ASN A 13 -15.204 7.072 -2.240 1.00 0.00 O ATOM 160 ND2 ASN A 13 -16.446 8.595 -3.326 1.00 0.00 N ATOM 0 H ASN A 13 -12.524 10.941 -2.597 1.00 0.00 H new ATOM 0 HA ASN A 13 -14.069 9.332 -0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.431 10.041 -3.335 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.424 8.655 -3.706 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.288 8.024 -3.257 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -16.482 9.502 -3.791 1.00 0.00 H new ATOM 167 N PHE A 14 -12.886 7.161 -0.531 1.00 0.00 N ATOM 168 CA PHE A 14 -12.108 5.973 -0.198 1.00 0.00 C ATOM 169 C PHE A 14 -13.015 4.755 -0.044 1.00 0.00 C ATOM 170 O PHE A 14 -14.238 4.864 -0.122 1.00 0.00 O ATOM 171 CB PHE A 14 -11.317 6.200 1.092 1.00 0.00 C ATOM 172 CG PHE A 14 -12.129 6.821 2.192 1.00 0.00 C ATOM 173 CD1 PHE A 14 -13.004 6.053 2.943 1.00 0.00 C ATOM 174 CD2 PHE A 14 -12.018 8.172 2.475 1.00 0.00 C ATOM 175 CE1 PHE A 14 -13.753 6.621 3.956 1.00 0.00 C ATOM 176 CE2 PHE A 14 -12.764 8.746 3.487 1.00 0.00 C ATOM 177 CZ PHE A 14 -13.634 7.969 4.228 1.00 0.00 C ATOM 0 H PHE A 14 -13.786 7.223 -0.056 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.411 5.785 -1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.921 5.245 1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.462 6.841 0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -13.102 4.998 2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.341 8.784 1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.431 6.011 4.534 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.667 9.801 3.698 1.00 0.00 H new ATOM 0 HZ PHE A 14 -14.219 8.415 5.018 1.00 0.00 H new ATOM 187 N GLY A 15 -12.405 3.594 0.175 1.00 0.00 N ATOM 188 CA GLY A 15 -13.171 2.372 0.336 1.00 0.00 C ATOM 189 C GLY A 15 -12.437 1.154 -0.190 1.00 0.00 C ATOM 190 O GLY A 15 -12.520 0.073 0.391 1.00 0.00 O ATOM 0 H GLY A 15 -11.394 3.478 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -13.400 2.227 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.123 2.472 -0.186 1.00 0.00 H new ATOM 194 N ASN A 16 -11.718 1.329 -1.293 1.00 0.00 N ATOM 195 CA ASN A 16 -10.968 0.235 -1.899 1.00 0.00 C ATOM 196 C ASN A 16 -9.494 0.599 -2.043 1.00 0.00 C ATOM 197 O ASN A 16 -9.112 1.760 -1.891 1.00 0.00 O ATOM 198 CB ASN A 16 -11.554 -0.117 -3.267 1.00 0.00 C ATOM 199 CG ASN A 16 -13.046 0.143 -3.342 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.790 -0.402 -2.386 1.00 0.00 O flip ATOM 201 ND2 ASN A 16 -13.524 0.827 -4.247 1.00 0.00 N flip ATOM 0 H ASN A 16 -11.639 2.218 -1.786 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.047 -0.632 -1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.048 0.465 -4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.360 -1.168 -3.483 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.915 1.226 -4.961 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.530 0.994 -4.283 1.00 0.00 H new ATOM 208 N CYS A 17 -8.669 -0.400 -2.338 1.00 0.00 N ATOM 209 CA CYS A 17 -7.236 -0.186 -2.503 1.00 0.00 C ATOM 210 C CYS A 17 -6.964 1.102 -3.276 1.00 0.00 C ATOM 211 O CYS A 17 -7.839 1.619 -3.971 1.00 0.00 O ATOM 212 CB CYS A 17 -6.603 -1.374 -3.230 1.00 0.00 C ATOM 213 SG CYS A 17 -4.781 -1.375 -3.204 1.00 0.00 S ATOM 0 H CYS A 17 -8.968 -1.366 -2.468 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.790 -0.095 -1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.963 -2.298 -2.777 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.941 -1.375 -4.266 1.00 0.00 H new ATOM 218 N THR A 18 -5.744 1.614 -3.151 1.00 0.00 N ATOM 219 CA THR A 18 -5.356 2.840 -3.836 1.00 0.00 C ATOM 220 C THR A 18 -4.480 2.540 -5.047 1.00 0.00 C ATOM 221 O THR A 18 -3.861 3.438 -5.616 1.00 0.00 O ATOM 222 CB THR A 18 -4.599 3.795 -2.893 1.00 0.00 C ATOM 223 OG1 THR A 18 -5.201 3.780 -1.594 1.00 0.00 O ATOM 224 CG2 THR A 18 -4.602 5.213 -3.443 1.00 0.00 C ATOM 0 H THR A 18 -5.007 1.198 -2.581 1.00 0.00 H new ATOM 0 HA THR A 18 -6.276 3.322 -4.167 1.00 0.00 H new ATOM 0 HB THR A 18 -3.567 3.454 -2.818 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.976 2.942 -1.139 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.062 5.869 -2.760 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.117 5.226 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.630 5.562 -3.544 1.00 0.00 H new ATOM 232 N GLY A 19 -4.432 1.270 -5.437 1.00 0.00 N ATOM 233 CA GLY A 19 -3.629 0.874 -6.579 1.00 0.00 C ATOM 234 C GLY A 19 -4.390 -0.015 -7.543 1.00 0.00 C ATOM 235 O GLY A 19 -4.236 0.099 -8.759 1.00 0.00 O ATOM 0 H GLY A 19 -4.935 0.508 -4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.286 1.765 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.740 0.349 -6.230 1.00 0.00 H new ATOM 239 N CYS A 20 -5.213 -0.906 -6.999 1.00 0.00 N ATOM 240 CA CYS A 20 -6.000 -1.820 -7.818 1.00 0.00 C ATOM 241 C CYS A 20 -7.488 -1.684 -7.508 1.00 0.00 C ATOM 242 O CYS A 20 -8.295 -2.523 -7.909 1.00 0.00 O ATOM 243 CB CYS A 20 -5.549 -3.263 -7.584 1.00 0.00 C ATOM 244 SG CYS A 20 -5.917 -3.897 -5.916 1.00 0.00 S ATOM 0 H CYS A 20 -5.352 -1.014 -5.994 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.840 -1.561 -8.865 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.031 -3.907 -8.320 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.475 -3.329 -7.757 1.00 0.00 H new ATOM 249 N SER A 21 -7.843 -0.622 -6.793 1.00 0.00 N ATOM 250 CA SER A 21 -9.234 -0.378 -6.426 1.00 0.00 C ATOM 251 C SER A 21 -9.949 -1.687 -6.107 1.00 0.00 C ATOM 252 O SER A 21 -11.030 -1.959 -6.630 1.00 0.00 O ATOM 253 CB SER A 21 -9.961 0.352 -7.558 1.00 0.00 C ATOM 254 OG SER A 21 -9.534 1.700 -7.652 1.00 0.00 O ATOM 0 H SER A 21 -7.188 0.083 -6.456 1.00 0.00 H new ATOM 0 HA SER A 21 -9.245 0.248 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.775 -0.159 -8.503 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.037 0.319 -7.384 1.00 0.00 H new ATOM 0 HG SER A 21 -10.012 2.144 -8.383 1.00 0.00 H new ATOM 260 N ALA A 22 -9.338 -2.493 -5.245 1.00 0.00 N ATOM 261 CA ALA A 22 -9.917 -3.772 -4.854 1.00 0.00 C ATOM 262 C ALA A 22 -10.672 -3.653 -3.534 1.00 0.00 C ATOM 263 O ALA A 22 -10.068 -3.476 -2.476 1.00 0.00 O ATOM 264 CB ALA A 22 -8.831 -4.833 -4.750 1.00 0.00 C ATOM 0 H ALA A 22 -8.442 -2.283 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.629 -4.071 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.278 -5.783 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.339 -4.946 -5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.098 -4.531 -4.002 1.00 0.00 H new ATOM 270 N THR A 23 -11.996 -3.750 -3.604 1.00 0.00 N ATOM 271 CA THR A 23 -12.833 -3.652 -2.415 1.00 0.00 C ATOM 272 C THR A 23 -12.496 -4.749 -1.413 1.00 0.00 C ATOM 273 O THR A 23 -12.288 -5.904 -1.787 1.00 0.00 O ATOM 274 CB THR A 23 -14.329 -3.739 -2.772 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.623 -2.863 -3.866 1.00 0.00 O ATOM 276 CG2 THR A 23 -15.193 -3.374 -1.575 1.00 0.00 C ATOM 0 H THR A 23 -12.512 -3.896 -4.472 1.00 0.00 H new ATOM 0 HA THR A 23 -12.631 -2.680 -1.966 1.00 0.00 H new ATOM 0 HB THR A 23 -14.553 -4.766 -3.060 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.559 -1.932 -3.566 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.245 -3.443 -1.851 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.988 -4.062 -0.755 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.966 -2.355 -1.260 1.00 0.00 H new ATOM 284 N PHE A 24 -12.444 -4.383 -0.136 1.00 0.00 N ATOM 285 CA PHE A 24 -12.132 -5.338 0.921 1.00 0.00 C ATOM 286 C PHE A 24 -13.394 -5.743 1.677 1.00 0.00 C ATOM 287 O PHE A 24 -13.958 -4.952 2.434 1.00 0.00 O ATOM 288 CB PHE A 24 -11.111 -4.741 1.892 1.00 0.00 C ATOM 289 CG PHE A 24 -10.073 -3.889 1.220 1.00 0.00 C ATOM 290 CD1 PHE A 24 -8.915 -4.455 0.712 1.00 0.00 C ATOM 291 CD2 PHE A 24 -10.254 -2.520 1.097 1.00 0.00 C ATOM 292 CE1 PHE A 24 -7.957 -3.674 0.093 1.00 0.00 C ATOM 293 CE2 PHE A 24 -9.300 -1.734 0.479 1.00 0.00 C ATOM 294 CZ PHE A 24 -8.150 -2.312 -0.023 1.00 0.00 C ATOM 0 H PHE A 24 -12.614 -3.432 0.192 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.705 -6.228 0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.636 -4.141 2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.614 -5.550 2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.759 -5.520 0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -11.151 -2.063 1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.059 -4.129 -0.299 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.453 -0.669 0.389 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.403 -1.699 -0.506 1.00 0.00 H new ATOM 304 N SER A 25 -13.831 -6.981 1.467 1.00 0.00 N ATOM 305 CA SER A 25 -15.029 -7.490 2.125 1.00 0.00 C ATOM 306 C SER A 25 -14.667 -8.536 3.176 1.00 0.00 C ATOM 307 O SER A 25 -14.706 -8.266 4.376 1.00 0.00 O ATOM 308 CB SER A 25 -15.984 -8.095 1.095 1.00 0.00 C ATOM 309 OG SER A 25 -16.572 -7.086 0.292 1.00 0.00 O ATOM 0 H SER A 25 -13.374 -7.649 0.847 1.00 0.00 H new ATOM 0 HA SER A 25 -15.524 -6.656 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 25 -15.443 -8.799 0.462 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.765 -8.659 1.605 1.00 0.00 H new ATOM 0 HG SER A 25 -17.177 -7.498 -0.360 1.00 0.00 H new ATOM 315 N VAL A 26 -14.317 -9.732 2.715 1.00 0.00 N ATOM 316 CA VAL A 26 -13.947 -10.820 3.613 1.00 0.00 C ATOM 317 C VAL A 26 -12.638 -11.470 3.180 1.00 0.00 C ATOM 318 O VAL A 26 -11.861 -11.940 4.012 1.00 0.00 O ATOM 319 CB VAL A 26 -15.047 -11.897 3.672 1.00 0.00 C ATOM 320 CG1 VAL A 26 -16.210 -11.426 4.532 1.00 0.00 C ATOM 321 CG2 VAL A 26 -15.519 -12.253 2.271 1.00 0.00 C ATOM 0 H VAL A 26 -14.282 -9.973 1.724 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.822 -10.383 4.604 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.629 -12.794 4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.977 -12.200 4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.857 -11.226 5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -16.631 -10.514 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.296 -13.015 2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.920 -11.364 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.680 -12.636 1.691 1.00 0.00 H new ATOM 331 N LEU A 27 -12.399 -11.492 1.873 1.00 0.00 N ATOM 332 CA LEU A 27 -11.182 -12.084 1.328 1.00 0.00 C ATOM 333 C LEU A 27 -10.000 -11.131 1.475 1.00 0.00 C ATOM 334 O LEU A 27 -9.025 -11.435 2.163 1.00 0.00 O ATOM 335 CB LEU A 27 -11.382 -12.444 -0.145 1.00 0.00 C ATOM 336 CG LEU A 27 -11.908 -13.851 -0.426 1.00 0.00 C ATOM 337 CD1 LEU A 27 -10.844 -14.892 -0.115 1.00 0.00 C ATOM 338 CD2 LEU A 27 -13.171 -14.120 0.379 1.00 0.00 C ATOM 0 H LEU A 27 -13.031 -11.107 1.171 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.965 -12.992 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.074 -11.725 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.429 -12.324 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.155 -13.920 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.237 -15.887 -0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.967 -14.713 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.564 -14.823 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.531 -15.127 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.950 -14.031 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.938 -13.395 0.106 1.00 0.00 H new ATOM 350 N LYS A 28 -10.094 -9.975 0.826 1.00 0.00 N ATOM 351 CA LYS A 28 -9.035 -8.975 0.886 1.00 0.00 C ATOM 352 C LYS A 28 -9.152 -8.134 2.153 1.00 0.00 C ATOM 353 O LYS A 28 -10.252 -7.760 2.562 1.00 0.00 O ATOM 354 CB LYS A 28 -9.090 -8.070 -0.347 1.00 0.00 C ATOM 355 CG LYS A 28 -7.734 -7.527 -0.764 1.00 0.00 C ATOM 356 CD LYS A 28 -6.870 -8.607 -1.393 1.00 0.00 C ATOM 357 CE LYS A 28 -7.210 -8.807 -2.862 1.00 0.00 C ATOM 358 NZ LYS A 28 -8.337 -9.763 -3.046 1.00 0.00 N ATOM 0 H LYS A 28 -10.894 -9.708 0.252 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.078 -9.496 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.520 -8.629 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.760 -7.234 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.871 -6.710 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.224 -7.112 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.819 -8.336 -1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.009 -9.545 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.471 -7.847 -3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.331 -9.176 -3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.142 -10.376 -3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.440 -10.347 -2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.217 -9.234 -3.212 1.00 0.00 H new ATOM 372 N LYS A 29 -8.013 -7.838 2.769 1.00 0.00 N ATOM 373 CA LYS A 29 -7.987 -7.039 3.988 1.00 0.00 C ATOM 374 C LYS A 29 -7.315 -5.692 3.740 1.00 0.00 C ATOM 375 O LYS A 29 -6.164 -5.632 3.307 1.00 0.00 O ATOM 376 CB LYS A 29 -7.252 -7.791 5.100 1.00 0.00 C ATOM 377 CG LYS A 29 -5.907 -8.350 4.669 1.00 0.00 C ATOM 378 CD LYS A 29 -6.052 -9.724 4.037 1.00 0.00 C ATOM 379 CE LYS A 29 -6.138 -10.817 5.091 1.00 0.00 C ATOM 380 NZ LYS A 29 -4.818 -11.078 5.729 1.00 0.00 N ATOM 0 H LYS A 29 -7.095 -8.140 2.444 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.017 -6.861 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.103 -7.119 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.881 -8.609 5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.440 -7.669 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.245 -8.413 5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.946 -9.747 3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.202 -9.915 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.860 -10.529 5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.508 -11.735 4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.864 -11.963 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.087 -11.161 4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.579 -10.292 6.367 1.00 0.00 H new ATOM 394 N ARG A 30 -8.040 -4.614 4.020 1.00 0.00 N ATOM 395 CA ARG A 30 -7.514 -3.268 3.828 1.00 0.00 C ATOM 396 C ARG A 30 -6.257 -3.051 4.666 1.00 0.00 C ATOM 397 O ARG A 30 -6.336 -2.693 5.841 1.00 0.00 O ATOM 398 CB ARG A 30 -8.571 -2.226 4.198 1.00 0.00 C ATOM 399 CG ARG A 30 -8.384 -0.892 3.495 1.00 0.00 C ATOM 400 CD ARG A 30 -9.715 -0.200 3.248 1.00 0.00 C ATOM 401 NE ARG A 30 -10.079 0.693 4.345 1.00 0.00 N ATOM 402 CZ ARG A 30 -10.767 0.303 5.413 1.00 0.00 C ATOM 403 NH1 ARG A 30 -11.163 -0.957 5.527 1.00 0.00 N ATOM 404 NH2 ARG A 30 -11.059 1.175 6.370 1.00 0.00 N ATOM 0 H ARG A 30 -8.994 -4.647 4.381 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.254 -3.154 2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.558 -2.620 3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.549 -2.065 5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.745 -0.248 4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.873 -1.049 2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.661 0.369 2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.495 -0.950 3.117 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.789 1.669 4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.940 -1.630 4.794 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.691 -1.253 6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.755 2.145 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.587 0.875 7.189 1.00 0.00 H new ATOM 418 N ARG A 31 -5.098 -3.271 4.052 1.00 0.00 N ATOM 419 CA ARG A 31 -3.825 -3.102 4.741 1.00 0.00 C ATOM 420 C ARG A 31 -3.438 -1.628 4.816 1.00 0.00 C ATOM 421 O ARG A 31 -4.143 -0.764 4.294 1.00 0.00 O ATOM 422 CB ARG A 31 -2.726 -3.893 4.029 1.00 0.00 C ATOM 423 CG ARG A 31 -2.568 -5.315 4.542 1.00 0.00 C ATOM 424 CD ARG A 31 -1.984 -6.230 3.478 1.00 0.00 C ATOM 425 NE ARG A 31 -1.914 -7.618 3.927 1.00 0.00 N ATOM 426 CZ ARG A 31 -0.922 -8.102 4.665 1.00 0.00 C ATOM 427 NH1 ARG A 31 0.078 -7.315 5.036 1.00 0.00 N ATOM 428 NH2 ARG A 31 -0.930 -9.377 5.035 1.00 0.00 N ATOM 0 H ARG A 31 -5.015 -3.566 3.079 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.937 -3.482 5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.945 -3.923 2.962 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.778 -3.367 4.145 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.921 -5.317 5.419 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.538 -5.698 4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.593 -6.171 2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.985 -5.885 3.212 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.668 -8.250 3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.087 -6.335 4.755 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.839 -7.690 5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.698 -9.985 4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.168 -9.748 5.602 1.00 0.00 H new ATOM 442 N SER A 32 -2.315 -1.348 5.468 1.00 0.00 N ATOM 443 CA SER A 32 -1.837 0.022 5.615 1.00 0.00 C ATOM 444 C SER A 32 -0.363 0.127 5.235 1.00 0.00 C ATOM 445 O SER A 32 0.470 -0.643 5.715 1.00 0.00 O ATOM 446 CB SER A 32 -2.041 0.505 7.052 1.00 0.00 C ATOM 447 OG SER A 32 -3.414 0.722 7.328 1.00 0.00 O ATOM 0 H SER A 32 -1.718 -2.052 5.903 1.00 0.00 H new ATOM 0 HA SER A 32 -2.414 0.656 4.941 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.639 -0.232 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.485 1.429 7.211 1.00 0.00 H new ATOM 0 HG SER A 32 -3.517 1.028 8.253 1.00 0.00 H new ATOM 453 N CYS A 33 -0.048 1.086 4.371 1.00 0.00 N ATOM 454 CA CYS A 33 1.325 1.293 3.925 1.00 0.00 C ATOM 455 C CYS A 33 2.205 1.770 5.077 1.00 0.00 C ATOM 456 O CYS A 33 1.705 2.198 6.117 1.00 0.00 O ATOM 457 CB CYS A 33 1.364 2.311 2.784 1.00 0.00 C ATOM 458 SG CYS A 33 3.000 2.491 2.003 1.00 0.00 S ATOM 0 H CYS A 33 -0.725 1.732 3.966 1.00 0.00 H new ATOM 0 HA CYS A 33 1.712 0.339 3.566 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.641 2.016 2.024 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.047 3.281 3.166 1.00 0.00 H new ATOM 463 N SER A 34 3.517 1.692 4.883 1.00 0.00 N ATOM 464 CA SER A 34 4.467 2.112 5.906 1.00 0.00 C ATOM 465 C SER A 34 5.104 3.449 5.540 1.00 0.00 C ATOM 466 O SER A 34 5.508 4.216 6.413 1.00 0.00 O ATOM 467 CB SER A 34 5.553 1.050 6.090 1.00 0.00 C ATOM 468 OG SER A 34 5.082 -0.030 6.877 1.00 0.00 O ATOM 0 H SER A 34 3.947 1.342 4.027 1.00 0.00 H new ATOM 0 HA SER A 34 3.924 2.233 6.843 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.874 0.681 5.116 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.426 1.497 6.565 1.00 0.00 H new ATOM 0 HG SER A 34 4.806 -0.765 6.291 1.00 0.00 H new ATOM 474 N ASN A 35 5.190 3.721 4.242 1.00 0.00 N ATOM 475 CA ASN A 35 5.779 4.965 3.759 1.00 0.00 C ATOM 476 C ASN A 35 4.727 6.067 3.673 1.00 0.00 C ATOM 477 O ASN A 35 4.683 6.965 4.515 1.00 0.00 O ATOM 478 CB ASN A 35 6.421 4.750 2.387 1.00 0.00 C ATOM 479 CG ASN A 35 6.921 6.044 1.774 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.504 6.884 2.459 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.693 6.210 0.476 1.00 0.00 N ATOM 0 H ASN A 35 4.859 3.097 3.506 1.00 0.00 H new ATOM 0 HA ASN A 35 6.547 5.274 4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.252 4.052 2.483 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.695 4.290 1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.005 7.061 0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.206 5.487 -0.053 1.00 0.00 H new ATOM 488 N CYS A 36 3.880 5.991 2.651 1.00 0.00 N ATOM 489 CA CYS A 36 2.828 6.981 2.455 1.00 0.00 C ATOM 490 C CYS A 36 1.780 6.887 3.560 1.00 0.00 C ATOM 491 O CYS A 36 1.251 7.900 4.016 1.00 0.00 O ATOM 492 CB CYS A 36 2.165 6.787 1.090 1.00 0.00 C ATOM 493 SG CYS A 36 1.067 5.336 0.996 1.00 0.00 S ATOM 0 H CYS A 36 3.902 5.254 1.946 1.00 0.00 H new ATOM 0 HA CYS A 36 3.283 7.971 2.493 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.590 7.681 0.847 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.942 6.691 0.331 1.00 0.00 H new ATOM 498 N GLY A 37 1.484 5.662 3.985 1.00 0.00 N ATOM 499 CA GLY A 37 0.501 5.458 5.033 1.00 0.00 C ATOM 500 C GLY A 37 -0.920 5.470 4.505 1.00 0.00 C ATOM 501 O GLY A 37 -1.824 6.001 5.148 1.00 0.00 O ATOM 0 H GLY A 37 1.907 4.808 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.694 4.506 5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.612 6.237 5.787 1.00 0.00 H new ATOM 505 N ASN A 38 -1.117 4.884 3.328 1.00 0.00 N ATOM 506 CA ASN A 38 -2.438 4.831 2.712 1.00 0.00 C ATOM 507 C ASN A 38 -3.009 3.417 2.770 1.00 0.00 C ATOM 508 O ASN A 38 -2.352 2.491 3.245 1.00 0.00 O ATOM 509 CB ASN A 38 -2.365 5.305 1.260 1.00 0.00 C ATOM 510 CG ASN A 38 -1.602 6.607 1.114 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.483 7.380 2.065 1.00 0.00 O ATOM 512 ND2 ASN A 38 -1.081 6.857 -0.082 1.00 0.00 N ATOM 0 H ASN A 38 -0.379 4.439 2.782 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.099 5.493 3.270 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.886 4.536 0.654 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.375 5.434 0.872 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.558 7.718 -0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.204 6.188 -0.842 1.00 0.00 H new ATOM 519 N SER A 39 -4.235 3.259 2.281 1.00 0.00 N ATOM 520 CA SER A 39 -4.895 1.960 2.279 1.00 0.00 C ATOM 521 C SER A 39 -4.505 1.153 1.044 1.00 0.00 C ATOM 522 O SER A 39 -4.448 1.684 -0.065 1.00 0.00 O ATOM 523 CB SER A 39 -6.414 2.136 2.328 1.00 0.00 C ATOM 524 OG SER A 39 -6.786 3.093 3.305 1.00 0.00 O ATOM 0 H SER A 39 -4.791 4.015 1.881 1.00 0.00 H new ATOM 0 HA SER A 39 -4.570 1.414 3.165 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.778 2.450 1.350 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.887 1.180 2.553 1.00 0.00 H new ATOM 0 HG SER A 39 -7.761 3.188 3.315 1.00 0.00 H new ATOM 530 N PHE A 40 -4.237 -0.133 1.246 1.00 0.00 N ATOM 531 CA PHE A 40 -3.850 -1.014 0.150 1.00 0.00 C ATOM 532 C PHE A 40 -4.231 -2.460 0.454 1.00 0.00 C ATOM 533 O PHE A 40 -4.564 -2.800 1.590 1.00 0.00 O ATOM 534 CB PHE A 40 -2.345 -0.914 -0.107 1.00 0.00 C ATOM 535 CG PHE A 40 -1.910 0.436 -0.602 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.141 0.815 -1.914 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.268 1.325 0.245 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.742 2.056 -2.373 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.867 2.568 -0.207 1.00 0.00 C ATOM 540 CZ PHE A 40 -1.103 2.933 -1.518 1.00 0.00 C ATOM 0 H PHE A 40 -4.281 -0.588 2.158 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.386 -0.696 -0.745 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.811 -1.143 0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.058 -1.670 -0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.639 0.132 -2.587 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.079 1.043 1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.929 2.340 -3.398 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.370 3.253 0.464 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.788 3.903 -1.874 1.00 0.00 H new ATOM 550 N CYS A 41 -4.180 -3.306 -0.569 1.00 0.00 N ATOM 551 CA CYS A 41 -4.520 -4.715 -0.413 1.00 0.00 C ATOM 552 C CYS A 41 -3.284 -5.537 -0.058 1.00 0.00 C ATOM 553 O CYS A 41 -2.189 -4.996 0.095 1.00 0.00 O ATOM 554 CB CYS A 41 -5.152 -5.254 -1.698 1.00 0.00 C ATOM 555 SG CYS A 41 -4.056 -5.184 -3.152 1.00 0.00 S ATOM 0 H CYS A 41 -3.906 -3.040 -1.515 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.239 -4.801 0.402 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.456 -6.288 -1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.057 -4.686 -1.911 1.00 0.00 H new ATOM 560 N SER A 42 -3.469 -6.847 0.072 1.00 0.00 N ATOM 561 CA SER A 42 -2.370 -7.743 0.413 1.00 0.00 C ATOM 562 C SER A 42 -1.530 -8.066 -0.819 1.00 0.00 C ATOM 563 O SER A 42 -0.578 -8.843 -0.749 1.00 0.00 O ATOM 564 CB SER A 42 -2.911 -9.036 1.028 1.00 0.00 C ATOM 565 OG SER A 42 -1.860 -9.945 1.309 1.00 0.00 O ATOM 0 H SER A 42 -4.369 -7.311 -0.054 1.00 0.00 H new ATOM 0 HA SER A 42 -1.736 -7.239 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.453 -8.807 1.945 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.623 -9.498 0.344 1.00 0.00 H new ATOM 0 HG SER A 42 -1.099 -9.757 0.721 1.00 0.00 H new ATOM 571 N ARG A 43 -1.890 -7.462 -1.947 1.00 0.00 N ATOM 572 CA ARG A 43 -1.171 -7.685 -3.196 1.00 0.00 C ATOM 573 C ARG A 43 -0.341 -6.461 -3.571 1.00 0.00 C ATOM 574 O ARG A 43 0.686 -6.575 -4.242 1.00 0.00 O ATOM 575 CB ARG A 43 -2.152 -8.015 -4.322 1.00 0.00 C ATOM 576 CG ARG A 43 -2.430 -9.501 -4.472 1.00 0.00 C ATOM 577 CD ARG A 43 -3.255 -10.034 -3.311 1.00 0.00 C ATOM 578 NE ARG A 43 -3.475 -11.474 -3.411 1.00 0.00 N ATOM 579 CZ ARG A 43 -3.885 -12.227 -2.397 1.00 0.00 C ATOM 580 NH1 ARG A 43 -4.117 -11.679 -1.212 1.00 0.00 N ATOM 581 NH2 ARG A 43 -4.063 -13.531 -2.566 1.00 0.00 N ATOM 0 H ARG A 43 -2.675 -6.815 -2.022 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.497 -8.529 -3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.092 -7.495 -4.137 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.755 -7.632 -5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.959 -9.681 -5.408 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.487 -10.045 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.748 -9.809 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.217 -9.521 -3.284 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.304 -11.926 -4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.981 -10.677 -1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.432 -12.259 -0.435 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.885 -13.956 -3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.378 -14.108 -1.786 1.00 0.00 H new ATOM 595 N CYS A 44 -0.793 -5.290 -3.135 1.00 0.00 N ATOM 596 CA CYS A 44 -0.094 -4.044 -3.426 1.00 0.00 C ATOM 597 C CYS A 44 0.837 -3.662 -2.279 1.00 0.00 C ATOM 598 O CYS A 44 1.908 -3.094 -2.498 1.00 0.00 O ATOM 599 CB CYS A 44 -1.099 -2.918 -3.677 1.00 0.00 C ATOM 600 SG CYS A 44 -2.056 -3.104 -5.216 1.00 0.00 S ATOM 0 H CYS A 44 -1.641 -5.178 -2.579 1.00 0.00 H new ATOM 0 HA CYS A 44 0.506 -4.194 -4.324 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.790 -2.868 -2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.565 -1.968 -3.707 1.00 0.00 H new ATOM 605 N CYS A 45 0.423 -3.979 -1.057 1.00 0.00 N ATOM 606 CA CYS A 45 1.219 -3.670 0.125 1.00 0.00 C ATOM 607 C CYS A 45 2.072 -4.866 0.535 1.00 0.00 C ATOM 608 O CYS A 45 2.280 -5.115 1.722 1.00 0.00 O ATOM 609 CB CYS A 45 0.311 -3.255 1.283 1.00 0.00 C ATOM 610 SG CYS A 45 1.197 -2.604 2.719 1.00 0.00 S ATOM 0 H CYS A 45 -0.460 -4.450 -0.859 1.00 0.00 H new ATOM 0 HA CYS A 45 1.883 -2.841 -0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.390 -2.499 0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.280 -4.116 1.594 1.00 0.00 H new ATOM 0 HG CYS A 45 0.344 -2.279 3.645 1.00 0.00 H new ATOM 616 N SER A 46 2.561 -5.605 -0.456 1.00 0.00 N ATOM 617 CA SER A 46 3.386 -6.779 -0.199 1.00 0.00 C ATOM 618 C SER A 46 4.826 -6.539 -0.643 1.00 0.00 C ATOM 619 O SER A 46 5.503 -7.452 -1.116 1.00 0.00 O ATOM 620 CB SER A 46 2.814 -7.999 -0.924 1.00 0.00 C ATOM 621 OG SER A 46 3.248 -8.041 -2.272 1.00 0.00 O ATOM 0 H SER A 46 2.400 -5.411 -1.444 1.00 0.00 H new ATOM 0 HA SER A 46 3.382 -6.968 0.875 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.124 -8.909 -0.411 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.725 -7.969 -0.890 1.00 0.00 H new ATOM 0 HG SER A 46 4.225 -8.114 -2.299 1.00 0.00 H new ATOM 627 N PHE A 47 5.288 -5.303 -0.486 1.00 0.00 N ATOM 628 CA PHE A 47 6.647 -4.940 -0.871 1.00 0.00 C ATOM 629 C PHE A 47 7.488 -4.602 0.356 1.00 0.00 C ATOM 630 O PHE A 47 7.198 -3.649 1.079 1.00 0.00 O ATOM 631 CB PHE A 47 6.627 -3.751 -1.833 1.00 0.00 C ATOM 632 CG PHE A 47 6.072 -4.085 -3.189 1.00 0.00 C ATOM 633 CD1 PHE A 47 6.874 -4.672 -4.154 1.00 0.00 C ATOM 634 CD2 PHE A 47 4.750 -3.812 -3.496 1.00 0.00 C ATOM 635 CE1 PHE A 47 6.366 -4.980 -5.402 1.00 0.00 C ATOM 636 CE2 PHE A 47 4.236 -4.117 -4.743 1.00 0.00 C ATOM 637 CZ PHE A 47 5.045 -4.703 -5.696 1.00 0.00 C ATOM 0 H PHE A 47 4.741 -4.536 -0.095 1.00 0.00 H new ATOM 0 HA PHE A 47 7.097 -5.797 -1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.034 -2.949 -1.394 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.642 -3.370 -1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.907 -4.891 -3.929 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.113 -3.356 -2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.001 -5.437 -6.147 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.203 -3.897 -4.971 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.646 -4.944 -6.670 1.00 0.00 H new ATOM 647 N LYS A 48 8.532 -5.392 0.586 1.00 0.00 N ATOM 648 CA LYS A 48 9.417 -5.178 1.725 1.00 0.00 C ATOM 649 C LYS A 48 10.504 -4.162 1.386 1.00 0.00 C ATOM 650 O LYS A 48 11.210 -4.303 0.388 1.00 0.00 O ATOM 651 CB LYS A 48 10.057 -6.500 2.155 1.00 0.00 C ATOM 652 CG LYS A 48 9.094 -7.442 2.857 1.00 0.00 C ATOM 653 CD LYS A 48 9.719 -8.807 3.090 1.00 0.00 C ATOM 654 CE LYS A 48 10.486 -8.852 4.403 1.00 0.00 C ATOM 655 NZ LYS A 48 11.911 -8.455 4.227 1.00 0.00 N ATOM 0 H LYS A 48 8.786 -6.186 -0.002 1.00 0.00 H new ATOM 0 HA LYS A 48 8.820 -4.785 2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.465 -6.999 1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.895 -6.289 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.793 -7.011 3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.190 -7.552 2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.940 -9.569 3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.392 -9.046 2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.010 -8.188 5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.438 -9.859 4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.486 -8.881 4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.252 -8.787 3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.991 -7.419 4.274 1.00 0.00 H new ATOM 669 N VAL A 49 10.632 -3.138 2.225 1.00 0.00 N ATOM 670 CA VAL A 49 11.634 -2.100 2.016 1.00 0.00 C ATOM 671 C VAL A 49 12.224 -1.630 3.341 1.00 0.00 C ATOM 672 O VAL A 49 11.583 -1.692 4.390 1.00 0.00 O ATOM 673 CB VAL A 49 11.041 -0.889 1.272 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.627 -1.278 -0.139 1.00 0.00 C ATOM 675 CG2 VAL A 49 9.861 -0.316 2.043 1.00 0.00 C ATOM 0 H VAL A 49 10.054 -3.006 3.055 1.00 0.00 H new ATOM 0 HA VAL A 49 12.423 -2.540 1.407 1.00 0.00 H new ATOM 0 HB VAL A 49 11.808 -0.118 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.210 -0.409 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.498 -1.637 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.876 -2.067 -0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.454 0.539 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.090 -1.079 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.192 0.003 3.031 1.00 0.00 H new ATOM 685 N PRO A 50 13.475 -1.148 3.294 1.00 0.00 N ATOM 686 CA PRO A 50 14.178 -0.657 4.483 1.00 0.00 C ATOM 687 C PRO A 50 13.590 0.649 5.006 1.00 0.00 C ATOM 688 O PRO A 50 13.392 1.600 4.250 1.00 0.00 O ATOM 689 CB PRO A 50 15.608 -0.437 3.982 1.00 0.00 C ATOM 690 CG PRO A 50 15.466 -0.206 2.518 1.00 0.00 C ATOM 691 CD PRO A 50 14.298 -1.046 2.078 1.00 0.00 C ATOM 0 HA PRO A 50 14.106 -1.355 5.317 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.073 0.417 4.474 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.237 -1.304 4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.291 0.848 2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.374 -0.492 1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.751 -0.577 1.260 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.618 -2.027 1.726 1.00 0.00 H new ATOM 699 N LYS A 51 13.313 0.688 6.305 1.00 0.00 N ATOM 700 CA LYS A 51 12.749 1.878 6.932 1.00 0.00 C ATOM 701 C LYS A 51 13.848 2.864 7.316 1.00 0.00 C ATOM 702 O LYS A 51 13.697 4.073 7.146 1.00 0.00 O ATOM 703 CB LYS A 51 11.940 1.492 8.171 1.00 0.00 C ATOM 704 CG LYS A 51 12.772 0.844 9.264 1.00 0.00 C ATOM 705 CD LYS A 51 11.903 0.076 10.246 1.00 0.00 C ATOM 706 CE LYS A 51 10.917 0.994 10.953 1.00 0.00 C ATOM 707 NZ LYS A 51 9.627 0.306 11.239 1.00 0.00 N ATOM 0 H LYS A 51 13.470 -0.091 6.944 1.00 0.00 H new ATOM 0 HA LYS A 51 12.089 2.360 6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.459 2.384 8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.145 0.807 7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.500 0.168 8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.334 1.611 9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.359 -0.706 9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.535 -0.418 10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.355 1.348 11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.731 1.872 10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.881 0.701 10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.726 -0.711 11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.372 0.447 12.237 1.00 0.00 H new ATOM 721 N SER A 52 14.954 2.338 7.833 1.00 0.00 N ATOM 722 CA SER A 52 16.078 3.172 8.243 1.00 0.00 C ATOM 723 C SER A 52 16.223 4.379 7.322 1.00 0.00 C ATOM 724 O SER A 52 16.027 5.520 7.740 1.00 0.00 O ATOM 725 CB SER A 52 17.372 2.356 8.243 1.00 0.00 C ATOM 726 OG SER A 52 18.485 3.166 8.581 1.00 0.00 O ATOM 0 H SER A 52 15.096 1.338 7.978 1.00 0.00 H new ATOM 0 HA SER A 52 15.884 3.530 9.254 1.00 0.00 H new ATOM 0 HB2 SER A 52 17.287 1.534 8.954 1.00 0.00 H new ATOM 0 HB3 SER A 52 17.526 1.913 7.259 1.00 0.00 H new ATOM 0 HG SER A 52 19.300 2.621 8.576 1.00 0.00 H new ATOM 732 N SER A 53 16.569 4.118 6.065 1.00 0.00 N ATOM 733 CA SER A 53 16.745 5.182 5.084 1.00 0.00 C ATOM 734 C SER A 53 15.407 5.827 4.736 1.00 0.00 C ATOM 735 O SER A 53 15.328 7.034 4.509 1.00 0.00 O ATOM 736 CB SER A 53 17.403 4.632 3.817 1.00 0.00 C ATOM 737 OG SER A 53 17.852 5.683 2.979 1.00 0.00 O ATOM 0 H SER A 53 16.733 3.179 5.702 1.00 0.00 H new ATOM 0 HA SER A 53 17.392 5.942 5.521 1.00 0.00 H new ATOM 0 HB2 SER A 53 18.244 3.994 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 53 16.692 4.009 3.275 1.00 0.00 H new ATOM 0 HG SER A 53 18.270 5.306 2.177 1.00 0.00 H new ATOM 743 N MET A 54 14.357 5.013 4.697 1.00 0.00 N ATOM 744 CA MET A 54 13.021 5.504 4.378 1.00 0.00 C ATOM 745 C MET A 54 12.280 5.924 5.643 1.00 0.00 C ATOM 746 O MET A 54 11.498 5.154 6.200 1.00 0.00 O ATOM 747 CB MET A 54 12.223 4.429 3.637 1.00 0.00 C ATOM 748 CG MET A 54 10.792 4.840 3.329 1.00 0.00 C ATOM 749 SD MET A 54 9.685 3.427 3.159 1.00 0.00 S ATOM 750 CE MET A 54 9.645 2.823 4.845 1.00 0.00 C ATOM 0 H MET A 54 14.405 4.011 4.882 1.00 0.00 H new ATOM 0 HA MET A 54 13.126 6.377 3.734 1.00 0.00 H new ATOM 0 HB2 MET A 54 12.732 4.188 2.704 1.00 0.00 H new ATOM 0 HB3 MET A 54 12.210 3.519 4.237 1.00 0.00 H new ATOM 0 HG2 MET A 54 10.426 5.490 4.124 1.00 0.00 H new ATOM 0 HG3 MET A 54 10.776 5.422 2.408 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.634 2.497 5.091 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.332 1.983 4.947 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.944 3.621 5.525 1.00 0.00 H new ATOM 760 N GLY A 55 12.532 7.149 6.093 1.00 0.00 N ATOM 761 CA GLY A 55 11.881 7.649 7.290 1.00 0.00 C ATOM 762 C GLY A 55 12.870 8.161 8.317 1.00 0.00 C ATOM 763 O GLY A 55 13.739 8.973 8.001 1.00 0.00 O ATOM 0 H GLY A 55 13.176 7.805 5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.196 8.452 7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.281 6.854 7.733 1.00 0.00 H new ATOM 767 N ALA A 56 12.737 7.688 9.552 1.00 0.00 N ATOM 768 CA ALA A 56 13.627 8.103 10.629 1.00 0.00 C ATOM 769 C ALA A 56 14.624 7.002 10.974 1.00 0.00 C ATOM 770 O ALA A 56 14.362 5.820 10.748 1.00 0.00 O ATOM 771 CB ALA A 56 12.821 8.492 11.860 1.00 0.00 C ATOM 0 H ALA A 56 12.021 7.017 9.831 1.00 0.00 H new ATOM 0 HA ALA A 56 14.189 8.972 10.287 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.499 8.800 12.656 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.154 9.318 11.612 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.232 7.638 12.194 1.00 0.00 H new ATOM 777 N THR A 57 15.769 7.397 11.521 1.00 0.00 N ATOM 778 CA THR A 57 16.806 6.443 11.895 1.00 0.00 C ATOM 779 C THR A 57 16.568 5.893 13.297 1.00 0.00 C ATOM 780 O THR A 57 15.828 6.479 14.086 1.00 0.00 O ATOM 781 CB THR A 57 18.206 7.085 11.839 1.00 0.00 C ATOM 782 OG1 THR A 57 18.229 8.279 12.628 1.00 0.00 O ATOM 783 CG2 THR A 57 18.594 7.410 10.404 1.00 0.00 C ATOM 0 H THR A 57 16.002 8.371 11.715 1.00 0.00 H new ATOM 0 HA THR A 57 16.759 5.626 11.175 1.00 0.00 H new ATOM 0 HB THR A 57 18.926 6.372 12.241 1.00 0.00 H new ATOM 0 HG1 THR A 57 19.122 8.680 12.589 1.00 0.00 H new ATOM 0 HG21 THR A 57 19.586 7.862 10.389 1.00 0.00 H new ATOM 0 HG22 THR A 57 18.604 6.494 9.813 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.871 8.107 9.981 1.00 0.00 H new ATOM 791 N ALA A 58 17.201 4.764 13.600 1.00 0.00 N ATOM 792 CA ALA A 58 17.060 4.137 14.908 1.00 0.00 C ATOM 793 C ALA A 58 18.086 3.025 15.097 1.00 0.00 C ATOM 794 O ALA A 58 18.766 2.609 14.159 1.00 0.00 O ATOM 795 CB ALA A 58 15.650 3.592 15.082 1.00 0.00 C ATOM 0 H ALA A 58 17.816 4.265 12.957 1.00 0.00 H new ATOM 0 HA ALA A 58 17.241 4.896 15.669 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.558 3.126 16.063 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.932 4.408 14.999 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.448 2.851 14.309 1.00 0.00 H new ATOM 801 N PRO A 59 18.202 2.531 16.338 1.00 0.00 N ATOM 802 CA PRO A 59 19.144 1.460 16.679 1.00 0.00 C ATOM 803 C PRO A 59 18.738 0.119 16.078 1.00 0.00 C ATOM 804 O PRO A 59 19.568 -0.777 15.922 1.00 0.00 O ATOM 805 CB PRO A 59 19.078 1.403 18.207 1.00 0.00 C ATOM 806 CG PRO A 59 17.731 1.942 18.549 1.00 0.00 C ATOM 807 CD PRO A 59 17.423 2.979 17.505 1.00 0.00 C ATOM 0 HA PRO A 59 20.143 1.656 16.289 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.200 0.383 18.571 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.870 2.000 18.660 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.982 1.150 18.546 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.728 2.380 19.547 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.357 3.022 17.284 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.722 3.976 17.829 1.00 0.00 H new ATOM 815 N GLU A 60 17.459 -0.012 15.743 1.00 0.00 N ATOM 816 CA GLU A 60 16.945 -1.245 15.159 1.00 0.00 C ATOM 817 C GLU A 60 16.574 -1.040 13.693 1.00 0.00 C ATOM 818 O GLU A 60 16.591 -1.981 12.900 1.00 0.00 O ATOM 819 CB GLU A 60 15.725 -1.736 15.941 1.00 0.00 C ATOM 820 CG GLU A 60 15.987 -1.920 17.426 1.00 0.00 C ATOM 821 CD GLU A 60 14.736 -2.293 18.198 1.00 0.00 C ATOM 822 OE1 GLU A 60 13.839 -2.925 17.602 1.00 0.00 O ATOM 823 OE2 GLU A 60 14.654 -1.953 19.396 1.00 0.00 O ATOM 0 H GLU A 60 16.760 0.720 15.866 1.00 0.00 H new ATOM 0 HA GLU A 60 17.731 -1.998 15.215 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.910 -1.024 15.810 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.391 -2.684 15.519 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.740 -2.696 17.565 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.400 -0.998 17.835 1.00 0.00 H new ATOM 830 N ALA A 61 16.240 0.197 13.340 1.00 0.00 N ATOM 831 CA ALA A 61 15.867 0.527 11.971 1.00 0.00 C ATOM 832 C ALA A 61 16.963 0.123 10.991 1.00 0.00 C ATOM 833 O ALA A 61 16.680 -0.326 9.880 1.00 0.00 O ATOM 834 CB ALA A 61 15.568 2.013 11.848 1.00 0.00 C ATOM 0 H ALA A 61 16.220 0.987 13.984 1.00 0.00 H new ATOM 0 HA ALA A 61 14.967 -0.035 11.721 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.291 2.244 10.820 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.745 2.275 12.513 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.453 2.586 12.123 1.00 0.00 H new ATOM 840 N GLN A 62 18.214 0.286 11.409 1.00 0.00 N ATOM 841 CA GLN A 62 19.352 -0.061 10.566 1.00 0.00 C ATOM 842 C GLN A 62 19.089 -1.353 9.801 1.00 0.00 C ATOM 843 O GLN A 62 19.236 -1.404 8.579 1.00 0.00 O ATOM 844 CB GLN A 62 20.617 -0.205 11.415 1.00 0.00 C ATOM 845 CG GLN A 62 21.174 1.121 11.907 1.00 0.00 C ATOM 846 CD GLN A 62 22.485 0.962 12.651 1.00 0.00 C ATOM 847 OE1 GLN A 62 23.461 0.440 12.111 1.00 0.00 O ATOM 848 NE2 GLN A 62 22.516 1.414 13.900 1.00 0.00 N ATOM 0 H GLN A 62 18.465 0.656 12.326 1.00 0.00 H new ATOM 0 HA GLN A 62 19.496 0.743 9.845 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.398 -0.839 12.274 1.00 0.00 H new ATOM 0 HB3 GLN A 62 21.381 -0.716 10.829 1.00 0.00 H new ATOM 0 HG2 GLN A 62 21.321 1.787 11.057 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.444 1.597 12.562 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.684 1.840 14.309 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.371 1.335 14.450 1.00 0.00 H new ATOM 857 N ARG A 63 18.700 -2.396 10.526 1.00 0.00 N ATOM 858 CA ARG A 63 18.418 -3.690 9.916 1.00 0.00 C ATOM 859 C ARG A 63 16.951 -4.068 10.097 1.00 0.00 C ATOM 860 O ARG A 63 16.636 -5.109 10.673 1.00 0.00 O ATOM 861 CB ARG A 63 19.314 -4.771 10.523 1.00 0.00 C ATOM 862 CG ARG A 63 19.126 -4.946 12.021 1.00 0.00 C ATOM 863 CD ARG A 63 19.399 -6.379 12.453 1.00 0.00 C ATOM 864 NE ARG A 63 20.804 -6.742 12.285 1.00 0.00 N ATOM 865 CZ ARG A 63 21.236 -7.997 12.221 1.00 0.00 C ATOM 866 NH1 ARG A 63 20.376 -9.002 12.310 1.00 0.00 N ATOM 867 NH2 ARG A 63 22.530 -8.247 12.068 1.00 0.00 N ATOM 0 H ARG A 63 18.573 -2.370 11.538 1.00 0.00 H new ATOM 0 HA ARG A 63 18.626 -3.613 8.849 1.00 0.00 H new ATOM 0 HB2 ARG A 63 19.112 -5.720 10.026 1.00 0.00 H new ATOM 0 HB3 ARG A 63 20.356 -4.522 10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 63 19.795 -4.270 12.554 1.00 0.00 H new ATOM 0 HG3 ARG A 63 18.108 -4.670 12.296 1.00 0.00 H new ATOM 0 HD2 ARG A 63 19.115 -6.503 13.498 1.00 0.00 H new ATOM 0 HD3 ARG A 63 18.777 -7.058 11.870 1.00 0.00 H new ATOM 0 HE ARG A 63 21.491 -5.991 12.213 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.381 -8.813 12.428 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.710 -9.965 12.261 1.00 0.00 H new ATOM 0 HH21 ARG A 63 23.194 -7.476 11.999 1.00 0.00 H new ATOM 0 HH22 ARG A 63 22.861 -9.211 12.019 1.00 0.00 H new ATOM 881 N GLU A 64 16.060 -3.216 9.601 1.00 0.00 N ATOM 882 CA GLU A 64 14.626 -3.461 9.710 1.00 0.00 C ATOM 883 C GLU A 64 13.986 -3.571 8.329 1.00 0.00 C ATOM 884 O GLU A 64 14.578 -3.175 7.324 1.00 0.00 O ATOM 885 CB GLU A 64 13.954 -2.342 10.508 1.00 0.00 C ATOM 886 CG GLU A 64 12.744 -2.804 11.303 1.00 0.00 C ATOM 887 CD GLU A 64 12.964 -4.146 11.974 1.00 0.00 C ATOM 888 OE1 GLU A 64 14.003 -4.309 12.647 1.00 0.00 O ATOM 889 OE2 GLU A 64 12.098 -5.033 11.825 1.00 0.00 O ATOM 0 H GLU A 64 16.305 -2.351 9.120 1.00 0.00 H new ATOM 0 HA GLU A 64 14.484 -4.406 10.233 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.683 -1.906 11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.648 -1.552 9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.506 -2.058 12.061 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.882 -2.871 10.639 1.00 0.00 H new ATOM 896 N THR A 65 12.773 -4.112 8.287 1.00 0.00 N ATOM 897 CA THR A 65 12.053 -4.277 7.031 1.00 0.00 C ATOM 898 C THR A 65 10.566 -3.992 7.208 1.00 0.00 C ATOM 899 O THR A 65 9.905 -4.593 8.055 1.00 0.00 O ATOM 900 CB THR A 65 12.227 -5.699 6.465 1.00 0.00 C ATOM 901 OG1 THR A 65 11.799 -6.666 7.430 1.00 0.00 O ATOM 902 CG2 THR A 65 13.678 -5.957 6.089 1.00 0.00 C ATOM 0 H THR A 65 12.268 -4.444 9.109 1.00 0.00 H new ATOM 0 HA THR A 65 12.477 -3.560 6.328 1.00 0.00 H new ATOM 0 HB THR A 65 11.615 -5.787 5.568 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.102 -6.276 7.997 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.777 -6.967 5.692 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.991 -5.237 5.333 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.307 -5.852 6.973 1.00 0.00 H new ATOM 910 N VAL A 66 10.044 -3.071 6.404 1.00 0.00 N ATOM 911 CA VAL A 66 8.634 -2.707 6.471 1.00 0.00 C ATOM 912 C VAL A 66 7.936 -2.964 5.140 1.00 0.00 C ATOM 913 O VAL A 66 8.585 -3.097 4.102 1.00 0.00 O ATOM 914 CB VAL A 66 8.454 -1.226 6.855 1.00 0.00 C ATOM 915 CG1 VAL A 66 8.930 -0.982 8.278 1.00 0.00 C ATOM 916 CG2 VAL A 66 9.194 -0.328 5.875 1.00 0.00 C ATOM 0 H VAL A 66 10.577 -2.563 5.698 1.00 0.00 H new ATOM 0 HA VAL A 66 8.182 -3.332 7.241 1.00 0.00 H new ATOM 0 HB VAL A 66 7.393 -0.982 6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.795 0.069 8.532 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.351 -1.598 8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.985 -1.242 8.358 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.056 0.715 6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.256 -0.571 5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.800 -0.483 4.871 1.00 0.00 H new ATOM 926 N PHE A 67 6.610 -3.033 5.177 1.00 0.00 N ATOM 927 CA PHE A 67 5.822 -3.275 3.974 1.00 0.00 C ATOM 928 C PHE A 67 5.271 -1.967 3.413 1.00 0.00 C ATOM 929 O PHE A 67 4.747 -1.133 4.151 1.00 0.00 O ATOM 930 CB PHE A 67 4.673 -4.238 4.276 1.00 0.00 C ATOM 931 CG PHE A 67 5.044 -5.684 4.113 1.00 0.00 C ATOM 932 CD1 PHE A 67 5.530 -6.156 2.905 1.00 0.00 C ATOM 933 CD2 PHE A 67 4.906 -6.571 5.168 1.00 0.00 C ATOM 934 CE1 PHE A 67 5.872 -7.487 2.752 1.00 0.00 C ATOM 935 CE2 PHE A 67 5.246 -7.903 5.022 1.00 0.00 C ATOM 936 CZ PHE A 67 5.731 -8.361 3.812 1.00 0.00 C ATOM 0 H PHE A 67 6.058 -2.925 6.028 1.00 0.00 H new ATOM 0 HA PHE A 67 6.475 -3.724 3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.330 -4.072 5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.835 -4.010 3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.643 -5.477 2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.528 -6.218 6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.249 -7.843 1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.133 -8.584 5.852 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.999 -9.401 3.695 1.00 0.00 H new ATOM 946 N VAL A 68 5.395 -1.795 2.100 1.00 0.00 N ATOM 947 CA VAL A 68 4.910 -0.590 1.438 1.00 0.00 C ATOM 948 C VAL A 68 4.035 -0.936 0.239 1.00 0.00 C ATOM 949 O VAL A 68 3.947 -2.096 -0.165 1.00 0.00 O ATOM 950 CB VAL A 68 6.075 0.302 0.970 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.986 0.647 2.138 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.856 -0.383 -0.142 1.00 0.00 C ATOM 0 H VAL A 68 5.827 -2.475 1.474 1.00 0.00 H new ATOM 0 HA VAL A 68 4.317 -0.044 2.171 1.00 0.00 H new ATOM 0 HB VAL A 68 5.663 1.231 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.803 1.278 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.416 1.180 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.392 -0.270 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.676 0.261 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.258 -1.328 0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.194 -0.574 -0.987 1.00 0.00 H new ATOM 962 N CYS A 69 3.390 0.078 -0.329 1.00 0.00 N ATOM 963 CA CYS A 69 2.522 -0.118 -1.483 1.00 0.00 C ATOM 964 C CYS A 69 3.303 0.044 -2.785 1.00 0.00 C ATOM 965 O CYS A 69 4.235 0.844 -2.866 1.00 0.00 O ATOM 966 CB CYS A 69 1.359 0.875 -1.447 1.00 0.00 C ATOM 967 SG CYS A 69 1.834 2.592 -1.828 1.00 0.00 S ATOM 0 H CYS A 69 3.453 1.044 -0.008 1.00 0.00 H new ATOM 0 HA CYS A 69 2.126 -1.133 -1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.599 0.553 -2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.902 0.847 -0.458 1.00 0.00 H new ATOM 972 N ALA A 70 2.914 -0.720 -3.800 1.00 0.00 N ATOM 973 CA ALA A 70 3.575 -0.660 -5.098 1.00 0.00 C ATOM 974 C ALA A 70 3.942 0.775 -5.461 1.00 0.00 C ATOM 975 O ALA A 70 5.116 1.100 -5.638 1.00 0.00 O ATOM 976 CB ALA A 70 2.686 -1.268 -6.172 1.00 0.00 C ATOM 0 H ALA A 70 2.145 -1.388 -3.749 1.00 0.00 H new ATOM 0 HA ALA A 70 4.497 -1.238 -5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.192 -1.216 -7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.479 -2.310 -5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.748 -0.714 -6.225 1.00 0.00 H new ATOM 982 N SER A 71 2.930 1.629 -5.572 1.00 0.00 N ATOM 983 CA SER A 71 3.146 3.029 -5.919 1.00 0.00 C ATOM 984 C SER A 71 4.384 3.578 -5.218 1.00 0.00 C ATOM 985 O SER A 71 5.111 4.404 -5.771 1.00 0.00 O ATOM 986 CB SER A 71 1.921 3.865 -5.543 1.00 0.00 C ATOM 987 OG SER A 71 0.773 3.435 -6.254 1.00 0.00 O ATOM 0 H SER A 71 1.953 1.376 -5.427 1.00 0.00 H new ATOM 0 HA SER A 71 3.302 3.090 -6.996 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.739 3.788 -4.471 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.114 4.916 -5.759 1.00 0.00 H new ATOM 0 HG SER A 71 0.003 3.984 -5.995 1.00 0.00 H new ATOM 993 N CYS A 72 4.619 3.113 -3.995 1.00 0.00 N ATOM 994 CA CYS A 72 5.769 3.556 -3.216 1.00 0.00 C ATOM 995 C CYS A 72 7.000 2.712 -3.534 1.00 0.00 C ATOM 996 O CYS A 72 8.021 3.231 -3.983 1.00 0.00 O ATOM 997 CB CYS A 72 5.457 3.479 -1.720 1.00 0.00 C ATOM 998 SG CYS A 72 4.181 4.655 -1.165 1.00 0.00 S ATOM 0 H CYS A 72 4.028 2.429 -3.522 1.00 0.00 H new ATOM 0 HA CYS A 72 5.981 4.591 -3.484 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.132 2.467 -1.479 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.373 3.662 -1.159 1.00 0.00 H new ATOM 1003 N ASN A 73 6.894 1.408 -3.299 1.00 0.00 N ATOM 1004 CA ASN A 73 7.998 0.492 -3.561 1.00 0.00 C ATOM 1005 C ASN A 73 8.696 0.841 -4.872 1.00 0.00 C ATOM 1006 O ASN A 73 9.920 0.766 -4.973 1.00 0.00 O ATOM 1007 CB ASN A 73 7.490 -0.950 -3.609 1.00 0.00 C ATOM 1008 CG ASN A 73 8.589 -1.939 -3.949 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.292 -2.430 -3.066 1.00 0.00 O ATOM 1010 ND2 ASN A 73 8.742 -2.234 -5.234 1.00 0.00 N ATOM 0 H ASN A 73 6.055 0.962 -2.928 1.00 0.00 H new ATOM 0 HA ASN A 73 8.719 0.590 -2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.055 -1.212 -2.644 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.694 -1.027 -4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.466 -2.892 -5.524 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.136 -1.803 -5.932 1.00 0.00 H new ATOM 1017 N GLN A 74 7.908 1.224 -5.872 1.00 0.00 N ATOM 1018 CA GLN A 74 8.450 1.584 -7.176 1.00 0.00 C ATOM 1019 C GLN A 74 9.280 2.861 -7.087 1.00 0.00 C ATOM 1020 O GLN A 74 10.336 2.973 -7.709 1.00 0.00 O ATOM 1021 CB GLN A 74 7.319 1.767 -8.190 1.00 0.00 C ATOM 1022 CG GLN A 74 6.749 0.456 -8.708 1.00 0.00 C ATOM 1023 CD GLN A 74 7.729 -0.300 -9.584 1.00 0.00 C ATOM 1024 OE1 GLN A 74 7.775 -0.100 -10.799 1.00 0.00 O ATOM 1025 NE2 GLN A 74 8.519 -1.173 -8.972 1.00 0.00 N ATOM 0 H GLN A 74 6.893 1.293 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 74 9.098 0.773 -7.508 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.518 2.345 -7.728 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.689 2.351 -9.033 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.464 -0.171 -7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.841 0.658 -9.276 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.447 -1.307 -7.963 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.199 -1.710 -9.510 1.00 0.00 H new ATOM 1034 N THR A 75 8.794 3.823 -6.308 1.00 0.00 N ATOM 1035 CA THR A 75 9.489 5.093 -6.138 1.00 0.00 C ATOM 1036 C THR A 75 10.741 4.924 -5.284 1.00 0.00 C ATOM 1037 O THR A 75 11.797 5.475 -5.597 1.00 0.00 O ATOM 1038 CB THR A 75 8.577 6.150 -5.488 1.00 0.00 C ATOM 1039 OG1 THR A 75 7.410 6.352 -6.293 1.00 0.00 O ATOM 1040 CG2 THR A 75 9.315 7.470 -5.317 1.00 0.00 C ATOM 0 H THR A 75 7.922 3.746 -5.785 1.00 0.00 H new ATOM 0 HA THR A 75 9.774 5.433 -7.134 1.00 0.00 H new ATOM 0 HB THR A 75 8.281 5.787 -4.504 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.731 5.685 -6.059 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.651 8.201 -4.856 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.187 7.320 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.637 7.836 -6.292 1.00 0.00 H new ATOM 1048 N LEU A 76 10.617 4.159 -4.206 1.00 0.00 N ATOM 1049 CA LEU A 76 11.740 3.917 -3.306 1.00 0.00 C ATOM 1050 C LEU A 76 12.883 3.220 -4.037 1.00 0.00 C ATOM 1051 O LEU A 76 14.035 3.646 -3.959 1.00 0.00 O ATOM 1052 CB LEU A 76 11.290 3.071 -2.114 1.00 0.00 C ATOM 1053 CG LEU A 76 10.167 3.659 -1.259 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.606 2.605 -0.317 1.00 0.00 C ATOM 1055 CD2 LEU A 76 10.668 4.864 -0.476 1.00 0.00 C ATOM 0 H LEU A 76 9.750 3.695 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 76 12.099 4.881 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.965 2.099 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.154 2.895 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 76 9.366 3.988 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.808 3.042 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.209 1.772 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.398 2.245 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.855 5.270 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.487 4.559 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.021 5.627 -1.169 1.00 0.00 H new ATOM 1067 N SER A 77 12.555 2.146 -4.750 1.00 0.00 N ATOM 1068 CA SER A 77 13.554 1.389 -5.494 1.00 0.00 C ATOM 1069 C SER A 77 13.765 1.986 -6.882 1.00 0.00 C ATOM 1070 O SER A 77 13.830 1.264 -7.878 1.00 0.00 O ATOM 1071 CB SER A 77 13.129 -0.076 -5.615 1.00 0.00 C ATOM 1072 OG SER A 77 14.202 -0.883 -6.067 1.00 0.00 O ATOM 0 H SER A 77 11.606 1.781 -4.827 1.00 0.00 H new ATOM 0 HA SER A 77 14.496 1.442 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.780 -0.438 -4.648 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.291 -0.159 -6.307 1.00 0.00 H new ATOM 0 HG SER A 77 14.479 -0.589 -6.960 1.00 0.00 H new ATOM 1078 N LYS A 78 13.871 3.309 -6.941 1.00 0.00 N ATOM 1079 CA LYS A 78 14.076 4.005 -8.205 1.00 0.00 C ATOM 1080 C LYS A 78 15.536 4.417 -8.369 1.00 0.00 C ATOM 1081 O LYS A 78 16.146 4.174 -9.411 1.00 0.00 O ATOM 1082 CB LYS A 78 13.175 5.240 -8.283 1.00 0.00 C ATOM 1083 CG LYS A 78 12.855 5.670 -9.704 1.00 0.00 C ATOM 1084 CD LYS A 78 12.107 6.993 -9.731 1.00 0.00 C ATOM 1085 CE LYS A 78 11.608 7.323 -11.129 1.00 0.00 C ATOM 1086 NZ LYS A 78 12.712 7.776 -12.020 1.00 0.00 N ATOM 0 H LYS A 78 13.818 3.921 -6.127 1.00 0.00 H new ATOM 0 HA LYS A 78 13.816 3.322 -9.013 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.243 5.034 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.659 6.066 -7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.779 5.762 -10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.255 4.902 -10.191 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.263 6.949 -9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.763 7.790 -9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.130 6.444 -11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.847 8.101 -11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.331 7.991 -12.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.152 8.630 -11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.426 7.024 -12.098 1.00 0.00 H new ATOM 1100 N SER A 79 16.090 5.040 -7.335 1.00 0.00 N ATOM 1101 CA SER A 79 17.478 5.488 -7.366 1.00 0.00 C ATOM 1102 C SER A 79 18.422 4.313 -7.602 1.00 0.00 C ATOM 1103 O SER A 79 18.383 3.316 -6.882 1.00 0.00 O ATOM 1104 CB SER A 79 17.838 6.191 -6.055 1.00 0.00 C ATOM 1105 OG SER A 79 19.009 6.975 -6.203 1.00 0.00 O ATOM 0 H SER A 79 15.600 5.246 -6.465 1.00 0.00 H new ATOM 0 HA SER A 79 17.589 6.192 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.009 6.825 -5.739 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.989 5.450 -5.271 1.00 0.00 H new ATOM 0 HG SER A 79 19.217 7.415 -5.353 1.00 0.00 H new ATOM 1111 N GLY A 80 19.271 4.439 -8.618 1.00 0.00 N ATOM 1112 CA GLY A 80 20.213 3.382 -8.933 1.00 0.00 C ATOM 1113 C GLY A 80 21.630 3.897 -9.093 1.00 0.00 C ATOM 1114 O GLY A 80 22.080 4.778 -8.360 1.00 0.00 O ATOM 0 H GLY A 80 19.323 5.255 -9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.190 2.631 -8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.904 2.886 -9.853 1.00 0.00 H new ATOM 1118 N PRO A 81 22.359 3.340 -10.071 1.00 0.00 N ATOM 1119 CA PRO A 81 23.744 3.732 -10.348 1.00 0.00 C ATOM 1120 C PRO A 81 23.843 5.134 -10.938 1.00 0.00 C ATOM 1121 O PRO A 81 24.930 5.600 -11.278 1.00 0.00 O ATOM 1122 CB PRO A 81 24.212 2.689 -11.365 1.00 0.00 C ATOM 1123 CG PRO A 81 22.964 2.223 -12.032 1.00 0.00 C ATOM 1124 CD PRO A 81 21.887 2.285 -10.984 1.00 0.00 C ATOM 0 HA PRO A 81 24.348 3.763 -9.441 1.00 0.00 H new ATOM 0 HB2 PRO A 81 24.907 3.122 -12.084 1.00 0.00 H new ATOM 0 HB3 PRO A 81 24.731 1.865 -10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 81 22.717 2.857 -12.884 1.00 0.00 H new ATOM 0 HG3 PRO A 81 23.080 1.208 -12.413 1.00 0.00 H new ATOM 0 HD2 PRO A 81 20.918 2.533 -11.418 1.00 0.00 H new ATOM 0 HD3 PRO A 81 21.771 1.331 -10.470 1.00 0.00 H new ATOM 1132 N SER A 82 22.700 5.803 -11.058 1.00 0.00 N ATOM 1133 CA SER A 82 22.658 7.151 -11.611 1.00 0.00 C ATOM 1134 C SER A 82 23.913 7.933 -11.235 1.00 0.00 C ATOM 1135 O SER A 82 24.523 8.591 -12.077 1.00 0.00 O ATOM 1136 CB SER A 82 21.415 7.891 -11.113 1.00 0.00 C ATOM 1137 OG SER A 82 21.505 8.164 -9.726 1.00 0.00 O ATOM 0 H SER A 82 21.791 5.433 -10.780 1.00 0.00 H new ATOM 0 HA SER A 82 22.614 7.069 -12.697 1.00 0.00 H new ATOM 0 HB2 SER A 82 21.299 8.824 -11.664 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.527 7.291 -11.312 1.00 0.00 H new ATOM 0 HG SER A 82 20.699 8.639 -9.433 1.00 0.00 H new ATOM 1143 N SER A 83 24.292 7.854 -9.964 1.00 0.00 N ATOM 1144 CA SER A 83 25.473 8.556 -9.473 1.00 0.00 C ATOM 1145 C SER A 83 25.279 10.067 -9.555 1.00 0.00 C ATOM 1146 O SER A 83 26.167 10.796 -9.995 1.00 0.00 O ATOM 1147 CB SER A 83 26.708 8.145 -10.277 1.00 0.00 C ATOM 1148 OG SER A 83 26.890 6.740 -10.248 1.00 0.00 O ATOM 0 H SER A 83 23.799 7.311 -9.255 1.00 0.00 H new ATOM 0 HA SER A 83 25.621 8.282 -8.428 1.00 0.00 H new ATOM 0 HB2 SER A 83 26.602 8.480 -11.309 1.00 0.00 H new ATOM 0 HB3 SER A 83 27.591 8.638 -9.871 1.00 0.00 H new ATOM 0 HG SER A 83 26.389 6.330 -10.984 1.00 0.00 H new ATOM 1154 N GLY A 84 24.108 10.531 -9.127 1.00 0.00 N ATOM 1155 CA GLY A 84 23.817 11.953 -9.159 1.00 0.00 C ATOM 1156 C GLY A 84 23.391 12.489 -7.807 1.00 0.00 C ATOM 1157 O GLY A 84 22.714 13.514 -7.756 1.00 0.00 O ATOM 0 H GLY A 84 23.356 9.948 -8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 84 24.700 12.494 -9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 84 23.028 12.143 -9.887 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.239 -3.263 -4.441 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.480 3.719 0.093 1.00 0.00 ZN