USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 874 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 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.12) USER MOD Set 1.2: A 77 ASN : amide:sc= 1.66 K(o=2.9,f=0.6) USER MOD Set 2.1: A 4 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 61 ASN : amide:sc= 0.226 K(o=0.23,f=-5.9!) USER MOD Single : A 1 GLU N :NH3+ -123:sc= 0.816 (180deg=-0.0745) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -43:sc= 0.23 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0516 K(o=-0.052,f=-0.57) USER MOD Single : A 12 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.025) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0392 X(o=-0.039,f=-0.41) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.01 K(o=-1,f=-3.1) USER MOD Single : A 39 THR OG1 : rot 157:sc= 1.23 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= 0.783 (180deg=0.227) USER MOD Single : A 47 SER OG : rot 180:sc= -0.511 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 2 (180deg=1.96) USER MOD Single : A 64 GLN : amide:sc= 0.944 K(o=0.94,f=-0.36) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.656 K(o=0.66,f=-4.9!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= 0.983 (180deg=0.875) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -157:sc= 0.0962 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -15:sc= 0.009 USER MOD Single : A 97 SER OG : rot -96:sc= 0.877 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.0637 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= 0.437 X(o=0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -20.248 -13.756 14.843 1.00 0.00 N ATOM 2 CA GLU A 1 -19.057 -13.413 15.660 1.00 0.00 C ATOM 3 C GLU A 1 -17.973 -14.490 15.487 1.00 0.00 C ATOM 4 O GLU A 1 -17.925 -15.462 16.242 1.00 0.00 O ATOM 5 CB GLU A 1 -19.421 -13.219 17.151 1.00 0.00 C ATOM 6 CG GLU A 1 -20.329 -12.003 17.391 1.00 0.00 C ATOM 7 CD GLU A 1 -20.693 -11.873 18.879 1.00 0.00 C ATOM 8 OE1 GLU A 1 -21.724 -12.449 19.307 1.00 0.00 O ATOM 9 OE2 GLU A 1 -19.957 -11.191 19.633 1.00 0.00 O ATOM 0 H1 GLU A 1 -20.457 -12.975 14.189 1.00 0.00 H new ATOM 0 H2 GLU A 1 -20.058 -14.622 14.299 1.00 0.00 H new ATOM 0 H3 GLU A 1 -21.065 -13.912 15.468 1.00 0.00 H new ATOM 0 HA GLU A 1 -18.664 -12.461 15.304 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -19.919 -14.116 17.518 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -18.506 -13.103 17.731 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -19.825 -11.096 17.056 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -21.238 -12.101 16.798 1.00 0.00 H new ATOM 18 N GLU A 2 -17.114 -14.358 14.464 1.00 0.00 N ATOM 19 CA GLU A 2 -16.267 -15.475 13.983 1.00 0.00 C ATOM 20 C GLU A 2 -14.768 -15.341 14.306 1.00 0.00 C ATOM 21 O GLU A 2 -14.039 -16.333 14.252 1.00 0.00 O ATOM 22 CB GLU A 2 -16.438 -15.661 12.461 1.00 0.00 C ATOM 23 CG GLU A 2 -17.887 -15.679 11.947 1.00 0.00 C ATOM 24 CD GLU A 2 -18.787 -16.681 12.693 1.00 0.00 C ATOM 25 OE1 GLU A 2 -18.534 -17.907 12.627 1.00 0.00 O ATOM 26 OE2 GLU A 2 -19.765 -16.238 13.342 1.00 0.00 O ATOM 0 H GLU A 2 -16.983 -13.488 13.948 1.00 0.00 H new ATOM 0 HA GLU A 2 -16.620 -16.348 14.531 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.903 -14.858 11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.959 -16.596 12.172 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -18.311 -14.680 12.043 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -17.885 -15.924 10.885 1.00 0.00 H new ATOM 33 N LYS A 3 -14.306 -14.125 14.646 1.00 0.00 N ATOM 34 CA LYS A 3 -12.904 -13.766 14.996 1.00 0.00 C ATOM 35 C LYS A 3 -11.833 -14.287 14.019 1.00 0.00 C ATOM 36 O LYS A 3 -10.687 -14.567 14.376 1.00 0.00 O ATOM 37 CB LYS A 3 -12.618 -14.179 16.445 1.00 0.00 C ATOM 38 CG LYS A 3 -13.595 -13.575 17.461 1.00 0.00 C ATOM 39 CD LYS A 3 -13.421 -12.055 17.638 1.00 0.00 C ATOM 40 CE LYS A 3 -14.332 -11.480 18.732 1.00 0.00 C ATOM 41 NZ LYS A 3 -13.897 -11.874 20.100 1.00 0.00 N ATOM 0 H LYS A 3 -14.927 -13.317 14.689 1.00 0.00 H new ATOM 0 HA LYS A 3 -12.828 -12.683 14.900 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.657 -15.266 16.518 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.603 -13.878 16.706 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.616 -13.783 17.142 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.456 -14.065 18.425 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -12.382 -11.838 17.885 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.635 -11.556 16.693 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.343 -10.393 18.657 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.354 -11.822 18.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.544 -11.461 20.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.911 -12.911 20.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.932 -11.526 20.271 1.00 0.00 H new ATOM 55 N TYR A 4 -12.259 -14.404 12.770 1.00 0.00 N ATOM 56 CA TYR A 4 -11.476 -14.732 11.575 1.00 0.00 C ATOM 57 C TYR A 4 -10.215 -13.856 11.402 1.00 0.00 C ATOM 58 O TYR A 4 -10.137 -12.739 11.924 1.00 0.00 O ATOM 59 CB TYR A 4 -12.396 -14.603 10.350 1.00 0.00 C ATOM 60 CG TYR A 4 -12.782 -13.171 10.012 1.00 0.00 C ATOM 61 CD1 TYR A 4 -13.741 -12.485 10.788 1.00 0.00 C ATOM 62 CD2 TYR A 4 -12.152 -12.511 8.937 1.00 0.00 C ATOM 63 CE1 TYR A 4 -14.081 -11.152 10.479 1.00 0.00 C ATOM 64 CE2 TYR A 4 -12.480 -11.176 8.634 1.00 0.00 C ATOM 65 CZ TYR A 4 -13.450 -10.492 9.398 1.00 0.00 C ATOM 66 OH TYR A 4 -13.743 -9.196 9.103 1.00 0.00 O ATOM 0 H TYR A 4 -13.243 -14.261 12.541 1.00 0.00 H new ATOM 0 HA TYR A 4 -11.107 -15.752 11.684 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -11.899 -15.047 9.487 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -13.303 -15.180 10.528 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -14.216 -12.983 11.621 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -11.415 -13.032 8.344 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -14.824 -10.634 11.068 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.988 -10.674 7.814 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.996 -8.723 9.923 1.00 0.00 H new ATOM 76 N THR A 5 -9.254 -14.340 10.608 1.00 0.00 N ATOM 77 CA THR A 5 -7.961 -13.679 10.326 1.00 0.00 C ATOM 78 C THR A 5 -7.618 -13.800 8.835 1.00 0.00 C ATOM 79 O THR A 5 -7.899 -14.820 8.209 1.00 0.00 O ATOM 80 CB THR A 5 -6.844 -14.303 11.191 1.00 0.00 C ATOM 81 OG1 THR A 5 -7.137 -14.148 12.564 1.00 0.00 O ATOM 82 CG2 THR A 5 -5.472 -13.655 10.987 1.00 0.00 C ATOM 0 H THR A 5 -9.352 -15.233 10.124 1.00 0.00 H new ATOM 0 HA THR A 5 -8.044 -12.622 10.577 1.00 0.00 H new ATOM 0 HB THR A 5 -6.806 -15.347 10.880 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.421 -14.550 13.099 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.739 -14.146 11.627 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.171 -13.760 9.945 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.527 -12.597 11.244 1.00 0.00 H new ATOM 90 N THR A 6 -6.985 -12.772 8.257 1.00 0.00 N ATOM 91 CA THR A 6 -6.678 -12.637 6.810 1.00 0.00 C ATOM 92 C THR A 6 -5.507 -13.516 6.303 1.00 0.00 C ATOM 93 O THR A 6 -4.769 -13.133 5.393 1.00 0.00 O ATOM 94 CB THR A 6 -6.511 -11.139 6.468 1.00 0.00 C ATOM 95 OG1 THR A 6 -6.571 -10.926 5.077 1.00 0.00 O ATOM 96 CG2 THR A 6 -5.234 -10.485 7.011 1.00 0.00 C ATOM 0 H THR A 6 -6.655 -11.973 8.799 1.00 0.00 H new ATOM 0 HA THR A 6 -7.528 -13.039 6.259 1.00 0.00 H new ATOM 0 HB THR A 6 -7.348 -10.658 6.974 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.045 -11.614 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.210 -9.435 6.718 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.222 -10.559 8.098 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.362 -10.996 6.603 1.00 0.00 H new ATOM 104 N LYS A 7 -5.284 -14.684 6.915 1.00 0.00 N ATOM 105 CA LYS A 7 -4.231 -15.652 6.541 1.00 0.00 C ATOM 106 C LYS A 7 -4.552 -16.411 5.241 1.00 0.00 C ATOM 107 O LYS A 7 -5.687 -16.815 4.992 1.00 0.00 O ATOM 108 CB LYS A 7 -3.946 -16.598 7.732 1.00 0.00 C ATOM 109 CG LYS A 7 -4.755 -17.905 7.784 1.00 0.00 C ATOM 110 CD LYS A 7 -6.288 -17.738 7.798 1.00 0.00 C ATOM 111 CE LYS A 7 -6.952 -18.976 7.190 1.00 0.00 C ATOM 112 NZ LYS A 7 -6.839 -20.177 8.062 1.00 0.00 N ATOM 0 H LYS A 7 -5.844 -14.997 7.708 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.320 -15.096 6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.887 -16.854 7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.129 -16.048 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.482 -18.515 6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.459 -18.459 8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.637 -17.592 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.571 -16.849 7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.005 -18.764 7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.496 -19.190 6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.305 -20.985 7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.835 -20.399 8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.298 -19.987 8.976 1.00 0.00 H new ATOM 126 N TYR A 8 -3.523 -16.665 4.445 1.00 0.00 N ATOM 127 CA TYR A 8 -3.572 -17.454 3.209 1.00 0.00 C ATOM 128 C TYR A 8 -2.186 -18.065 2.968 1.00 0.00 C ATOM 129 O TYR A 8 -1.198 -17.334 2.948 1.00 0.00 O ATOM 130 CB TYR A 8 -3.983 -16.561 2.023 1.00 0.00 C ATOM 131 CG TYR A 8 -5.412 -16.043 2.085 1.00 0.00 C ATOM 132 CD1 TYR A 8 -5.697 -14.824 2.731 1.00 0.00 C ATOM 133 CD2 TYR A 8 -6.467 -16.818 1.563 1.00 0.00 C ATOM 134 CE1 TYR A 8 -7.025 -14.376 2.858 1.00 0.00 C ATOM 135 CE2 TYR A 8 -7.798 -16.368 1.677 1.00 0.00 C ATOM 136 CZ TYR A 8 -8.081 -15.146 2.323 1.00 0.00 C ATOM 137 OH TYR A 8 -9.372 -14.727 2.443 1.00 0.00 O ATOM 0 H TYR A 8 -2.587 -16.314 4.647 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.312 -18.248 3.302 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.304 -15.710 1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.855 -17.125 1.099 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.890 -14.229 3.132 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.255 -17.758 1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.236 -13.445 3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.603 -16.960 1.269 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.968 -15.378 2.017 1.00 0.00 H new ATOM 147 N ASP A 9 -2.100 -19.394 2.829 1.00 0.00 N ATOM 148 CA ASP A 9 -0.842 -20.159 2.687 1.00 0.00 C ATOM 149 C ASP A 9 0.262 -19.769 3.707 1.00 0.00 C ATOM 150 O ASP A 9 1.448 -19.693 3.374 1.00 0.00 O ATOM 151 CB ASP A 9 -0.370 -20.124 1.220 1.00 0.00 C ATOM 152 CG ASP A 9 -1.396 -20.753 0.263 1.00 0.00 C ATOM 153 OD1 ASP A 9 -1.618 -21.986 0.339 1.00 0.00 O ATOM 154 OD2 ASP A 9 -1.978 -20.026 -0.579 1.00 0.00 O ATOM 0 H ASP A 9 -2.927 -19.991 2.811 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.060 -21.195 2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.186 -19.091 0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.578 -20.655 1.133 1.00 0.00 H new ATOM 159 N ASN A 10 -0.137 -19.513 4.963 1.00 0.00 N ATOM 160 CA ASN A 10 0.710 -19.006 6.055 1.00 0.00 C ATOM 161 C ASN A 10 1.450 -17.692 5.729 1.00 0.00 C ATOM 162 O ASN A 10 2.665 -17.566 5.903 1.00 0.00 O ATOM 163 CB ASN A 10 1.589 -20.147 6.611 1.00 0.00 C ATOM 164 CG ASN A 10 2.291 -19.784 7.914 1.00 0.00 C ATOM 165 OD1 ASN A 10 1.760 -19.085 8.768 1.00 0.00 O ATOM 166 ND2 ASN A 10 3.500 -20.257 8.121 1.00 0.00 N ATOM 0 H ASN A 10 -1.102 -19.660 5.258 1.00 0.00 H new ATOM 0 HA ASN A 10 0.059 -18.688 6.870 1.00 0.00 H new ATOM 0 HB2 ASN A 10 0.969 -21.028 6.773 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.337 -20.417 5.866 1.00 0.00 H new ATOM 0 HD21 ASN A 10 3.990 -20.041 8.989 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.948 -20.840 7.414 1.00 0.00 H new ATOM 173 N VAL A 11 0.679 -16.694 5.283 1.00 0.00 N ATOM 174 CA VAL A 11 1.118 -15.310 5.049 1.00 0.00 C ATOM 175 C VAL A 11 0.039 -14.339 5.524 1.00 0.00 C ATOM 176 O VAL A 11 -1.154 -14.622 5.399 1.00 0.00 O ATOM 177 CB VAL A 11 1.418 -15.024 3.559 1.00 0.00 C ATOM 178 CG1 VAL A 11 2.388 -13.844 3.464 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.045 -16.198 2.806 1.00 0.00 C ATOM 0 H VAL A 11 -0.308 -16.832 5.066 1.00 0.00 H new ATOM 0 HA VAL A 11 2.042 -15.173 5.611 1.00 0.00 H new ATOM 0 HB VAL A 11 0.454 -14.818 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.605 -13.635 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.937 -12.964 3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.313 -14.091 3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.222 -15.912 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.991 -16.467 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.369 -17.052 2.836 1.00 0.00 H new ATOM 189 N ASN A 12 0.466 -13.193 6.051 1.00 0.00 N ATOM 190 CA ASN A 12 -0.383 -12.151 6.624 1.00 0.00 C ATOM 191 C ASN A 12 0.216 -10.753 6.413 1.00 0.00 C ATOM 192 O ASN A 12 1.394 -10.608 6.087 1.00 0.00 O ATOM 193 CB ASN A 12 -0.509 -12.406 8.132 1.00 0.00 C ATOM 194 CG ASN A 12 -1.373 -13.605 8.471 1.00 0.00 C ATOM 195 OD1 ASN A 12 -0.900 -14.711 8.697 1.00 0.00 O ATOM 196 ND2 ASN A 12 -2.672 -13.431 8.507 1.00 0.00 N ATOM 0 H ASN A 12 1.457 -12.955 6.092 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.354 -12.185 6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.486 -12.554 8.552 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.928 -11.520 8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.286 -14.216 8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.069 -12.510 8.319 1.00 0.00 H new ATOM 203 N LEU A 13 -0.585 -9.717 6.678 1.00 0.00 N ATOM 204 CA LEU A 13 -0.187 -8.312 6.585 1.00 0.00 C ATOM 205 C LEU A 13 1.074 -7.946 7.373 1.00 0.00 C ATOM 206 O LEU A 13 1.892 -7.179 6.880 1.00 0.00 O ATOM 207 CB LEU A 13 -1.359 -7.424 7.041 1.00 0.00 C ATOM 208 CG LEU A 13 -2.023 -6.670 5.885 1.00 0.00 C ATOM 209 CD1 LEU A 13 -3.147 -5.806 6.470 1.00 0.00 C ATOM 210 CD2 LEU A 13 -1.034 -5.756 5.165 1.00 0.00 C ATOM 0 H LEU A 13 -1.555 -9.837 6.971 1.00 0.00 H new ATOM 0 HA LEU A 13 0.064 -8.139 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.105 -8.044 7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.998 -6.705 7.777 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.400 -7.396 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.639 -5.256 5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.874 -6.445 6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.728 -5.102 7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.543 -5.239 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.637 -5.024 5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.216 -6.352 4.761 1.00 0.00 H new ATOM 222 N ASP A 14 1.277 -8.492 8.570 1.00 0.00 N ATOM 223 CA ASP A 14 2.495 -8.213 9.336 1.00 0.00 C ATOM 224 C ASP A 14 3.770 -8.683 8.624 1.00 0.00 C ATOM 225 O ASP A 14 4.800 -8.015 8.696 1.00 0.00 O ATOM 226 CB ASP A 14 2.388 -8.805 10.736 1.00 0.00 C ATOM 227 CG ASP A 14 2.416 -10.340 10.777 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.372 -10.963 10.477 1.00 0.00 O ATOM 229 OD2 ASP A 14 3.469 -10.920 11.132 1.00 0.00 O ATOM 0 H ASP A 14 0.622 -9.125 9.029 1.00 0.00 H new ATOM 0 HA ASP A 14 2.581 -7.130 9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.208 -8.422 11.343 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.462 -8.458 11.195 1.00 0.00 H new ATOM 234 N GLU A 15 3.683 -9.775 7.862 1.00 0.00 N ATOM 235 CA GLU A 15 4.754 -10.219 6.970 1.00 0.00 C ATOM 236 C GLU A 15 4.933 -9.253 5.785 1.00 0.00 C ATOM 237 O GLU A 15 6.057 -9.016 5.354 1.00 0.00 O ATOM 238 CB GLU A 15 4.462 -11.646 6.467 1.00 0.00 C ATOM 239 CG GLU A 15 5.724 -12.424 6.073 1.00 0.00 C ATOM 240 CD GLU A 15 6.457 -12.996 7.307 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.197 -12.248 7.988 1.00 0.00 O ATOM 242 OE2 GLU A 15 6.299 -14.207 7.600 1.00 0.00 O ATOM 0 H GLU A 15 2.862 -10.380 7.847 1.00 0.00 H new ATOM 0 HA GLU A 15 5.687 -10.225 7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.933 -12.196 7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.795 -11.591 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.453 -13.239 5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.398 -11.768 5.522 1.00 0.00 H new ATOM 249 N ILE A 16 3.852 -8.644 5.281 1.00 0.00 N ATOM 250 CA ILE A 16 3.893 -7.761 4.089 1.00 0.00 C ATOM 251 C ILE A 16 4.835 -6.574 4.315 1.00 0.00 C ATOM 252 O ILE A 16 5.793 -6.391 3.565 1.00 0.00 O ATOM 253 CB ILE A 16 2.451 -7.395 3.621 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.742 -8.648 3.062 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.334 -6.267 2.594 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.440 -9.265 1.831 1.00 0.00 C ATOM 0 H ILE A 16 2.920 -8.744 5.682 1.00 0.00 H new ATOM 0 HA ILE A 16 4.330 -8.297 3.247 1.00 0.00 H new ATOM 0 HB ILE A 16 1.972 -7.015 4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.682 -9.400 3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.719 -8.385 2.793 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.284 -6.106 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.754 -5.351 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.880 -6.539 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.883 -10.140 1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.477 -8.530 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.454 -9.561 2.098 1.00 0.00 H new ATOM 268 N LEU A 17 4.650 -5.838 5.407 1.00 0.00 N ATOM 269 CA LEU A 17 5.519 -4.712 5.787 1.00 0.00 C ATOM 270 C LEU A 17 6.889 -5.177 6.323 1.00 0.00 C ATOM 271 O LEU A 17 7.873 -4.453 6.171 1.00 0.00 O ATOM 272 CB LEU A 17 4.854 -3.791 6.838 1.00 0.00 C ATOM 273 CG LEU A 17 3.657 -4.382 7.610 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.355 -3.604 8.883 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.400 -4.240 6.767 1.00 0.00 C ATOM 0 H LEU A 17 3.887 -6.002 6.064 1.00 0.00 H new ATOM 0 HA LEU A 17 5.677 -4.148 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.614 -3.494 7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.521 -2.883 6.335 1.00 0.00 H new ATOM 0 HG LEU A 17 3.918 -5.415 7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.505 -4.057 9.393 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.226 -3.627 9.539 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.118 -2.570 8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.550 -4.656 7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.217 -3.185 6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.530 -4.776 5.827 1.00 0.00 H new ATOM 287 N ALA A 18 6.970 -6.355 6.959 1.00 0.00 N ATOM 288 CA ALA A 18 8.226 -6.872 7.520 1.00 0.00 C ATOM 289 C ALA A 18 9.233 -7.288 6.438 1.00 0.00 C ATOM 290 O ALA A 18 10.448 -7.233 6.646 1.00 0.00 O ATOM 291 CB ALA A 18 7.941 -8.112 8.372 1.00 0.00 C ATOM 0 H ALA A 18 6.171 -6.973 7.098 1.00 0.00 H new ATOM 0 HA ALA A 18 8.654 -6.061 8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.875 -8.492 8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.265 -7.847 9.185 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.480 -8.881 7.752 1.00 0.00 H new ATOM 297 N ASN A 19 8.712 -7.742 5.299 1.00 0.00 N ATOM 298 CA ASN A 19 9.442 -8.469 4.274 1.00 0.00 C ATOM 299 C ASN A 19 9.266 -7.741 2.935 1.00 0.00 C ATOM 300 O ASN A 19 8.401 -8.070 2.124 1.00 0.00 O ATOM 301 CB ASN A 19 8.976 -9.946 4.283 1.00 0.00 C ATOM 302 CG ASN A 19 10.081 -10.905 4.661 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.162 -11.427 5.763 1.00 0.00 O ATOM 304 ND2 ASN A 19 10.976 -11.161 3.741 1.00 0.00 N ATOM 0 H ASN A 19 7.730 -7.605 5.060 1.00 0.00 H new ATOM 0 HA ASN A 19 10.515 -8.494 4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.149 -10.057 4.984 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.595 -10.208 3.296 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.746 -11.799 3.942 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.903 -10.723 2.823 1.00 0.00 H new ATOM 311 N ASP A 20 10.096 -6.720 2.705 1.00 0.00 N ATOM 312 CA ASP A 20 10.019 -5.843 1.528 1.00 0.00 C ATOM 313 C ASP A 20 10.066 -6.592 0.184 1.00 0.00 C ATOM 314 O ASP A 20 9.542 -6.087 -0.804 1.00 0.00 O ATOM 315 CB ASP A 20 11.124 -4.781 1.582 1.00 0.00 C ATOM 316 CG ASP A 20 10.973 -3.842 2.788 1.00 0.00 C ATOM 317 OD1 ASP A 20 10.167 -2.886 2.708 1.00 0.00 O ATOM 318 OD2 ASP A 20 11.673 -4.057 3.807 1.00 0.00 O ATOM 0 H ASP A 20 10.854 -6.473 3.341 1.00 0.00 H new ATOM 0 HA ASP A 20 9.040 -5.367 1.573 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.096 -5.273 1.627 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.106 -4.194 0.663 1.00 0.00 H new ATOM 323 N ARG A 21 10.642 -7.803 0.125 1.00 0.00 N ATOM 324 CA ARG A 21 10.566 -8.699 -1.049 1.00 0.00 C ATOM 325 C ARG A 21 9.124 -9.056 -1.445 1.00 0.00 C ATOM 326 O ARG A 21 8.824 -9.124 -2.638 1.00 0.00 O ATOM 327 CB ARG A 21 11.376 -9.984 -0.798 1.00 0.00 C ATOM 328 CG ARG A 21 12.890 -9.723 -0.698 1.00 0.00 C ATOM 329 CD ARG A 21 13.683 -11.018 -0.471 1.00 0.00 C ATOM 330 NE ARG A 21 13.616 -11.927 -1.635 1.00 0.00 N ATOM 331 CZ ARG A 21 13.956 -13.205 -1.665 1.00 0.00 C ATOM 332 NH1 ARG A 21 14.426 -13.825 -0.620 1.00 0.00 N ATOM 333 NH2 ARG A 21 13.830 -13.893 -2.763 1.00 0.00 N ATOM 0 H ARG A 21 11.180 -8.196 0.897 1.00 0.00 H new ATOM 0 HA ARG A 21 10.997 -8.148 -1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.031 -10.452 0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.186 -10.692 -1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.236 -9.242 -1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.085 -9.030 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.725 -10.772 -0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.295 -11.530 0.410 1.00 0.00 H new ATOM 0 HE ARG A 21 13.271 -11.526 -2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.543 -13.324 0.261 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.677 -14.812 -0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.468 -13.447 -3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.094 -14.878 -2.781 1.00 0.00 H new ATOM 347 N LEU A 22 8.227 -9.233 -0.469 1.00 0.00 N ATOM 348 CA LEU A 22 6.781 -9.356 -0.701 1.00 0.00 C ATOM 349 C LEU A 22 6.204 -7.996 -1.104 1.00 0.00 C ATOM 350 O LEU A 22 5.490 -7.894 -2.099 1.00 0.00 O ATOM 351 CB LEU A 22 6.046 -9.858 0.562 1.00 0.00 C ATOM 352 CG LEU A 22 6.597 -11.147 1.196 1.00 0.00 C ATOM 353 CD1 LEU A 22 6.011 -11.368 2.587 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.249 -12.370 0.356 1.00 0.00 C ATOM 0 H LEU A 22 8.486 -9.296 0.516 1.00 0.00 H new ATOM 0 HA LEU A 22 6.633 -10.082 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.073 -9.068 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.999 -10.021 0.308 1.00 0.00 H new ATOM 0 HG LEU A 22 7.679 -11.025 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.418 -12.286 3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.270 -10.526 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.926 -11.450 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.652 -13.264 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.166 -12.459 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.680 -12.262 -0.640 1.00 0.00 H new ATOM 366 N LEU A 23 6.553 -6.936 -0.365 1.00 0.00 N ATOM 367 CA LEU A 23 6.020 -5.590 -0.589 1.00 0.00 C ATOM 368 C LEU A 23 6.274 -5.103 -2.034 1.00 0.00 C ATOM 369 O LEU A 23 5.360 -4.621 -2.697 1.00 0.00 O ATOM 370 CB LEU A 23 6.588 -4.629 0.480 1.00 0.00 C ATOM 371 CG LEU A 23 5.647 -3.495 0.903 1.00 0.00 C ATOM 372 CD1 LEU A 23 4.971 -2.806 -0.275 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.598 -4.046 1.856 1.00 0.00 C ATOM 0 H LEU A 23 7.216 -6.990 0.408 1.00 0.00 H new ATOM 0 HA LEU A 23 4.936 -5.612 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.852 -5.209 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.511 -4.191 0.099 1.00 0.00 H new ATOM 0 HG LEU A 23 6.254 -2.736 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.319 -2.014 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.730 -2.377 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.380 -3.533 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.926 -3.244 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.027 -4.828 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.089 -4.462 2.736 1.00 0.00 H new ATOM 385 N ASN A 24 7.484 -5.311 -2.565 1.00 0.00 N ATOM 386 CA ASN A 24 7.883 -4.956 -3.937 1.00 0.00 C ATOM 387 C ASN A 24 6.961 -5.546 -5.022 1.00 0.00 C ATOM 388 O ASN A 24 6.698 -4.882 -6.022 1.00 0.00 O ATOM 389 CB ASN A 24 9.345 -5.376 -4.183 1.00 0.00 C ATOM 390 CG ASN A 24 10.328 -4.285 -3.795 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.772 -3.491 -4.611 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.691 -4.196 -2.538 1.00 0.00 N ATOM 0 H ASN A 24 8.240 -5.746 -2.036 1.00 0.00 H new ATOM 0 HA ASN A 24 7.787 -3.873 -4.019 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.563 -6.279 -3.612 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.478 -5.625 -5.236 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.341 -3.466 -2.245 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.323 -4.856 -1.853 1.00 0.00 H new ATOM 399 N LYS A 25 6.427 -6.756 -4.817 1.00 0.00 N ATOM 400 CA LYS A 25 5.425 -7.379 -5.702 1.00 0.00 C ATOM 401 C LYS A 25 4.070 -6.671 -5.588 1.00 0.00 C ATOM 402 O LYS A 25 3.441 -6.355 -6.597 1.00 0.00 O ATOM 403 CB LYS A 25 5.337 -8.873 -5.342 1.00 0.00 C ATOM 404 CG LYS A 25 4.199 -9.637 -6.037 1.00 0.00 C ATOM 405 CD LYS A 25 4.156 -11.122 -5.638 1.00 0.00 C ATOM 406 CE LYS A 25 4.014 -11.352 -4.128 1.00 0.00 C ATOM 407 NZ LYS A 25 4.035 -12.802 -3.794 1.00 0.00 N ATOM 0 H LYS A 25 6.680 -7.342 -4.021 1.00 0.00 H new ATOM 0 HA LYS A 25 5.725 -7.280 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.284 -9.350 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.212 -8.966 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.247 -9.169 -5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.320 -9.558 -7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.322 -11.602 -6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.067 -11.609 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.824 -10.845 -3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.081 -10.910 -3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.937 -12.923 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.247 -13.281 -4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.936 -13.217 -4.107 1.00 0.00 H new ATOM 421 N TYR A 26 3.647 -6.374 -4.359 1.00 0.00 N ATOM 422 CA TYR A 26 2.373 -5.717 -4.052 1.00 0.00 C ATOM 423 C TYR A 26 2.307 -4.282 -4.611 1.00 0.00 C ATOM 424 O TYR A 26 1.249 -3.860 -5.073 1.00 0.00 O ATOM 425 CB TYR A 26 2.121 -5.742 -2.532 1.00 0.00 C ATOM 426 CG TYR A 26 1.610 -7.064 -1.969 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.290 -8.275 -2.210 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.437 -7.083 -1.192 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.786 -9.493 -1.723 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.079 -8.299 -0.700 1.00 0.00 C ATOM 431 CZ TYR A 26 0.581 -9.513 -0.990 1.00 0.00 C ATOM 432 OH TYR A 26 0.067 -10.700 -0.565 1.00 0.00 O ATOM 0 H TYR A 26 4.195 -6.589 -3.526 1.00 0.00 H new ATOM 0 HA TYR A 26 1.579 -6.276 -4.548 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.051 -5.487 -2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.400 -4.962 -2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.210 -8.267 -2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.073 -6.157 -0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.321 -10.413 -1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.978 -8.302 -0.102 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.766 -10.539 -0.074 1.00 0.00 H new ATOM 442 N VAL A 27 3.427 -3.547 -4.634 1.00 0.00 N ATOM 443 CA VAL A 27 3.520 -2.209 -5.265 1.00 0.00 C ATOM 444 C VAL A 27 3.618 -2.254 -6.782 1.00 0.00 C ATOM 445 O VAL A 27 3.012 -1.425 -7.453 1.00 0.00 O ATOM 446 CB VAL A 27 4.656 -1.345 -4.684 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.375 -1.079 -3.209 1.00 0.00 C ATOM 448 CG2 VAL A 27 6.034 -1.991 -4.799 1.00 0.00 C ATOM 0 H VAL A 27 4.303 -3.859 -4.215 1.00 0.00 H new ATOM 0 HA VAL A 27 2.572 -1.732 -5.015 1.00 0.00 H new ATOM 0 HB VAL A 27 4.677 -0.425 -5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.175 -0.468 -2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.426 -0.553 -3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.323 -2.026 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.784 -1.327 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.038 -2.939 -4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.266 -2.170 -5.849 1.00 0.00 H new ATOM 458 N GLN A 28 4.295 -3.249 -7.352 1.00 0.00 N ATOM 459 CA GLN A 28 4.401 -3.418 -8.811 1.00 0.00 C ATOM 460 C GLN A 28 3.031 -3.388 -9.513 1.00 0.00 C ATOM 461 O GLN A 28 2.912 -2.834 -10.606 1.00 0.00 O ATOM 462 CB GLN A 28 5.100 -4.749 -9.095 1.00 0.00 C ATOM 463 CG GLN A 28 5.848 -4.738 -10.434 1.00 0.00 C ATOM 464 CD GLN A 28 6.508 -6.078 -10.777 1.00 0.00 C ATOM 465 OE1 GLN A 28 6.376 -7.084 -10.093 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.245 -6.146 -11.866 1.00 0.00 N ATOM 0 H GLN A 28 4.789 -3.965 -6.819 1.00 0.00 H new ATOM 0 HA GLN A 28 4.975 -2.581 -9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.802 -4.967 -8.291 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.362 -5.551 -9.100 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.151 -4.472 -11.228 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.613 -3.962 -10.408 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.368 -5.319 -12.451 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.693 -7.025 -12.125 1.00 0.00 H new ATOM 475 N CYS A 29 2.007 -3.891 -8.810 1.00 0.00 N ATOM 476 CA CYS A 29 0.589 -3.898 -9.169 1.00 0.00 C ATOM 477 C CYS A 29 0.031 -2.565 -9.711 1.00 0.00 C ATOM 478 O CYS A 29 -0.897 -2.568 -10.525 1.00 0.00 O ATOM 479 CB CYS A 29 -0.176 -4.337 -7.918 1.00 0.00 C ATOM 480 SG CYS A 29 -1.965 -4.526 -8.086 1.00 0.00 S ATOM 0 H CYS A 29 2.165 -4.337 -7.906 1.00 0.00 H new ATOM 0 HA CYS A 29 0.462 -4.583 -10.007 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.237 -5.289 -7.583 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.017 -3.610 -7.129 1.00 0.00 H new ATOM 485 N LEU A 30 0.596 -1.431 -9.278 1.00 0.00 N ATOM 486 CA LEU A 30 0.206 -0.083 -9.709 1.00 0.00 C ATOM 487 C LEU A 30 1.390 0.816 -10.129 1.00 0.00 C ATOM 488 O LEU A 30 1.168 1.901 -10.671 1.00 0.00 O ATOM 489 CB LEU A 30 -0.729 0.571 -8.660 1.00 0.00 C ATOM 490 CG LEU A 30 -0.274 0.732 -7.189 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.306 -0.574 -6.388 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.117 1.345 -7.045 1.00 0.00 C ATOM 0 H LEU A 30 1.358 -1.426 -8.600 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.361 -0.196 -10.633 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.980 1.565 -9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.653 -0.007 -8.649 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.013 1.419 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.026 -0.383 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.323 -0.966 -6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.357 -1.303 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.370 1.428 -5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.848 0.709 -7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.127 2.336 -7.499 1.00 0.00 H new ATOM 504 N LEU A 31 2.636 0.374 -9.905 1.00 0.00 N ATOM 505 CA LEU A 31 3.856 1.098 -10.285 1.00 0.00 C ATOM 506 C LEU A 31 4.230 0.830 -11.757 1.00 0.00 C ATOM 507 O LEU A 31 4.581 1.763 -12.481 1.00 0.00 O ATOM 508 CB LEU A 31 4.965 0.789 -9.241 1.00 0.00 C ATOM 509 CG LEU A 31 6.275 0.112 -9.697 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.231 1.073 -10.398 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.022 -0.438 -8.479 1.00 0.00 C ATOM 0 H LEU A 31 2.827 -0.516 -9.445 1.00 0.00 H new ATOM 0 HA LEU A 31 3.700 2.176 -10.255 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.234 1.731 -8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.522 0.156 -8.472 1.00 0.00 H new ATOM 0 HG LEU A 31 5.981 -0.672 -10.395 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.133 0.537 -10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.747 1.487 -11.283 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.497 1.882 -9.718 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.946 -0.915 -8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.256 0.379 -7.796 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.396 -1.170 -7.968 1.00 0.00 H new ATOM 523 N GLU A 32 4.108 -0.417 -12.225 1.00 0.00 N ATOM 524 CA GLU A 32 4.366 -0.784 -13.625 1.00 0.00 C ATOM 525 C GLU A 32 3.167 -0.479 -14.549 1.00 0.00 C ATOM 526 O GLU A 32 2.033 -0.289 -14.103 1.00 0.00 O ATOM 527 CB GLU A 32 4.744 -2.274 -13.723 1.00 0.00 C ATOM 528 CG GLU A 32 6.157 -2.578 -13.207 1.00 0.00 C ATOM 529 CD GLU A 32 7.252 -1.945 -14.089 1.00 0.00 C ATOM 530 OE1 GLU A 32 7.553 -2.498 -15.174 1.00 0.00 O ATOM 531 OE2 GLU A 32 7.825 -0.899 -13.701 1.00 0.00 O ATOM 0 H GLU A 32 3.826 -1.205 -11.642 1.00 0.00 H new ATOM 0 HA GLU A 32 5.199 -0.170 -13.967 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.023 -2.862 -13.155 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.668 -2.593 -14.762 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.256 -2.207 -12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.303 -3.658 -13.169 1.00 0.00 H new ATOM 538 N ASP A 33 3.414 -0.469 -15.863 1.00 0.00 N ATOM 539 CA ASP A 33 2.399 -0.272 -16.915 1.00 0.00 C ATOM 540 C ASP A 33 1.460 -1.486 -17.133 1.00 0.00 C ATOM 541 O ASP A 33 0.533 -1.415 -17.941 1.00 0.00 O ATOM 542 CB ASP A 33 3.107 0.096 -18.229 1.00 0.00 C ATOM 543 CG ASP A 33 3.824 1.452 -18.142 1.00 0.00 C ATOM 544 OD1 ASP A 33 3.144 2.505 -18.213 1.00 0.00 O ATOM 545 OD2 ASP A 33 5.073 1.475 -18.019 1.00 0.00 O ATOM 0 H ASP A 33 4.352 -0.601 -16.240 1.00 0.00 H new ATOM 0 HA ASP A 33 1.751 0.537 -16.578 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.830 -0.680 -18.480 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.377 0.124 -19.038 1.00 0.00 H new ATOM 550 N ASP A 34 1.671 -2.592 -16.409 1.00 0.00 N ATOM 551 CA ASP A 34 0.879 -3.830 -16.470 1.00 0.00 C ATOM 552 C ASP A 34 0.597 -4.374 -15.059 1.00 0.00 C ATOM 553 O ASP A 34 1.409 -4.220 -14.143 1.00 0.00 O ATOM 554 CB ASP A 34 1.622 -4.901 -17.287 1.00 0.00 C ATOM 555 CG ASP A 34 1.789 -4.526 -18.769 1.00 0.00 C ATOM 556 OD1 ASP A 34 0.819 -4.689 -19.549 1.00 0.00 O ATOM 557 OD2 ASP A 34 2.903 -4.113 -19.173 1.00 0.00 O ATOM 0 H ASP A 34 2.433 -2.653 -15.733 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.069 -3.595 -16.954 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.606 -5.066 -16.848 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.079 -5.844 -17.217 1.00 0.00 H new ATOM 562 N GLU A 35 -0.544 -5.049 -14.900 1.00 0.00 N ATOM 563 CA GLU A 35 -1.132 -5.444 -13.610 1.00 0.00 C ATOM 564 C GLU A 35 -1.187 -6.967 -13.380 1.00 0.00 C ATOM 565 O GLU A 35 -1.732 -7.445 -12.384 1.00 0.00 O ATOM 566 CB GLU A 35 -2.511 -4.769 -13.435 1.00 0.00 C ATOM 567 CG GLU A 35 -3.625 -5.257 -14.378 1.00 0.00 C ATOM 568 CD GLU A 35 -3.519 -4.657 -15.795 1.00 0.00 C ATOM 569 OE1 GLU A 35 -2.775 -5.214 -16.637 1.00 0.00 O ATOM 570 OE2 GLU A 35 -4.184 -3.630 -16.076 1.00 0.00 O ATOM 0 H GLU A 35 -1.108 -5.349 -15.695 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.461 -5.085 -12.830 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.840 -4.921 -12.407 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.388 -3.695 -13.575 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.586 -6.344 -14.446 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.594 -4.999 -13.951 1.00 0.00 H new ATOM 577 N SER A 36 -0.564 -7.747 -14.267 1.00 0.00 N ATOM 578 CA SER A 36 -0.409 -9.214 -14.144 1.00 0.00 C ATOM 579 C SER A 36 0.372 -9.655 -12.890 1.00 0.00 C ATOM 580 O SER A 36 0.351 -10.826 -12.506 1.00 0.00 O ATOM 581 CB SER A 36 0.316 -9.764 -15.377 1.00 0.00 C ATOM 582 OG SER A 36 -0.309 -9.343 -16.584 1.00 0.00 O ATOM 0 H SER A 36 -0.139 -7.374 -15.116 1.00 0.00 H new ATOM 0 HA SER A 36 -1.419 -9.614 -14.058 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.354 -9.430 -15.368 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.331 -10.853 -15.335 1.00 0.00 H new ATOM 0 HG SER A 36 0.179 -9.710 -17.350 1.00 0.00 H new ATOM 588 N ASN A 37 1.061 -8.706 -12.253 1.00 0.00 N ATOM 589 CA ASN A 37 1.876 -8.839 -11.043 1.00 0.00 C ATOM 590 C ASN A 37 1.107 -8.552 -9.730 1.00 0.00 C ATOM 591 O ASN A 37 1.669 -8.724 -8.645 1.00 0.00 O ATOM 592 CB ASN A 37 3.131 -7.957 -11.230 1.00 0.00 C ATOM 593 CG ASN A 37 2.790 -6.557 -11.715 1.00 0.00 C ATOM 594 OD1 ASN A 37 1.847 -5.944 -11.254 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.450 -6.044 -12.724 1.00 0.00 N ATOM 0 H ASN A 37 1.064 -7.746 -12.598 1.00 0.00 H new ATOM 0 HA ASN A 37 2.172 -9.881 -10.921 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.668 -7.890 -10.284 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.802 -8.433 -11.945 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.170 -5.143 -13.111 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.244 -6.546 -13.122 1.00 0.00 H new ATOM 602 N CYS A 38 -0.173 -8.169 -9.796 1.00 0.00 N ATOM 603 CA CYS A 38 -1.043 -8.024 -8.621 1.00 0.00 C ATOM 604 C CYS A 38 -1.329 -9.376 -7.935 1.00 0.00 C ATOM 605 O CYS A 38 -1.929 -10.272 -8.537 1.00 0.00 O ATOM 606 CB CYS A 38 -2.362 -7.377 -9.053 1.00 0.00 C ATOM 607 SG CYS A 38 -2.251 -5.699 -9.715 1.00 0.00 S ATOM 0 H CYS A 38 -0.640 -7.948 -10.676 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.526 -7.395 -7.896 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.824 -8.013 -9.808 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.033 -7.362 -8.194 1.00 0.00 H new ATOM 612 N THR A 39 -0.930 -9.529 -6.667 1.00 0.00 N ATOM 613 CA THR A 39 -1.140 -10.747 -5.864 1.00 0.00 C ATOM 614 C THR A 39 -2.596 -10.914 -5.408 1.00 0.00 C ATOM 615 O THR A 39 -3.386 -9.969 -5.458 1.00 0.00 O ATOM 616 CB THR A 39 -0.223 -10.754 -4.624 1.00 0.00 C ATOM 617 OG1 THR A 39 0.860 -9.858 -4.767 1.00 0.00 O ATOM 618 CG2 THR A 39 0.403 -12.122 -4.388 1.00 0.00 C ATOM 0 H THR A 39 -0.441 -8.795 -6.156 1.00 0.00 H new ATOM 0 HA THR A 39 -0.892 -11.584 -6.517 1.00 0.00 H new ATOM 0 HB THR A 39 -0.868 -10.467 -3.794 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.199 -9.610 -3.881 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.041 -12.083 -3.505 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.384 -12.861 -4.234 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.000 -12.403 -5.255 1.00 0.00 H new ATOM 626 N ALA A 40 -2.947 -12.109 -4.922 1.00 0.00 N ATOM 627 CA ALA A 40 -4.313 -12.504 -4.544 1.00 0.00 C ATOM 628 C ALA A 40 -4.956 -11.610 -3.461 1.00 0.00 C ATOM 629 O ALA A 40 -6.142 -11.295 -3.548 1.00 0.00 O ATOM 630 CB ALA A 40 -4.278 -13.972 -4.100 1.00 0.00 C ATOM 0 H ALA A 40 -2.267 -12.855 -4.775 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.951 -12.373 -5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.281 -14.290 -3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.922 -14.592 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.607 -14.078 -3.248 1.00 0.00 H new ATOM 636 N ASP A 41 -4.168 -11.162 -2.478 1.00 0.00 N ATOM 637 CA ASP A 41 -4.579 -10.156 -1.483 1.00 0.00 C ATOM 638 C ASP A 41 -4.077 -8.743 -1.841 1.00 0.00 C ATOM 639 O ASP A 41 -4.762 -7.758 -1.566 1.00 0.00 O ATOM 640 CB ASP A 41 -4.081 -10.594 -0.099 1.00 0.00 C ATOM 641 CG ASP A 41 -4.480 -9.592 0.998 1.00 0.00 C ATOM 642 OD1 ASP A 41 -5.690 -9.499 1.315 1.00 0.00 O ATOM 643 OD2 ASP A 41 -3.578 -8.921 1.551 1.00 0.00 O ATOM 0 H ASP A 41 -3.212 -11.491 -2.346 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.667 -10.096 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.490 -11.576 0.140 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.996 -10.697 -0.119 1.00 0.00 H new ATOM 648 N GLY A 42 -2.929 -8.629 -2.522 1.00 0.00 N ATOM 649 CA GLY A 42 -2.347 -7.352 -2.962 1.00 0.00 C ATOM 650 C GLY A 42 -3.288 -6.499 -3.815 1.00 0.00 C ATOM 651 O GLY A 42 -3.389 -5.290 -3.606 1.00 0.00 O ATOM 0 H GLY A 42 -2.367 -9.437 -2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.049 -6.779 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.441 -7.555 -3.532 1.00 0.00 H new ATOM 655 N LYS A 43 -4.034 -7.137 -4.722 1.00 0.00 N ATOM 656 CA LYS A 43 -5.078 -6.493 -5.542 1.00 0.00 C ATOM 657 C LYS A 43 -6.229 -5.888 -4.737 1.00 0.00 C ATOM 658 O LYS A 43 -6.778 -4.865 -5.137 1.00 0.00 O ATOM 659 CB LYS A 43 -5.615 -7.498 -6.582 1.00 0.00 C ATOM 660 CG LYS A 43 -6.440 -8.643 -5.959 1.00 0.00 C ATOM 661 CD LYS A 43 -6.920 -9.699 -6.960 1.00 0.00 C ATOM 662 CE LYS A 43 -5.767 -10.414 -7.678 1.00 0.00 C ATOM 663 NZ LYS A 43 -6.266 -11.482 -8.586 1.00 0.00 N ATOM 0 H LYS A 43 -3.931 -8.133 -4.914 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.599 -5.649 -6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.234 -6.966 -7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.776 -7.923 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.838 -9.133 -5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.308 -8.216 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.528 -10.437 -6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.563 -9.224 -7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.189 -9.689 -8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.092 -10.848 -6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.460 -11.944 -9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.796 -12.187 -8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.890 -11.063 -9.304 1.00 0.00 H new ATOM 677 N GLU A 44 -6.597 -6.498 -3.614 1.00 0.00 N ATOM 678 CA GLU A 44 -7.652 -5.993 -2.734 1.00 0.00 C ATOM 679 C GLU A 44 -7.098 -4.884 -1.827 1.00 0.00 C ATOM 680 O GLU A 44 -7.699 -3.813 -1.738 1.00 0.00 O ATOM 681 CB GLU A 44 -8.243 -7.175 -1.946 1.00 0.00 C ATOM 682 CG GLU A 44 -9.300 -6.790 -0.904 1.00 0.00 C ATOM 683 CD GLU A 44 -10.561 -6.116 -1.486 1.00 0.00 C ATOM 684 OE1 GLU A 44 -10.920 -6.355 -2.664 1.00 0.00 O ATOM 685 OE2 GLU A 44 -11.226 -5.367 -0.732 1.00 0.00 O ATOM 0 H GLU A 44 -6.170 -7.364 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.457 -5.541 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.687 -7.877 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.431 -7.700 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.601 -7.687 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.846 -6.116 -0.177 1.00 0.00 H new ATOM 692 N LEU A 45 -5.912 -5.098 -1.239 1.00 0.00 N ATOM 693 CA LEU A 45 -5.182 -4.116 -0.433 1.00 0.00 C ATOM 694 C LEU A 45 -4.973 -2.805 -1.210 1.00 0.00 C ATOM 695 O LEU A 45 -5.393 -1.748 -0.743 1.00 0.00 O ATOM 696 CB LEU A 45 -3.872 -4.775 0.070 1.00 0.00 C ATOM 697 CG LEU A 45 -2.856 -3.821 0.744 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.148 -4.464 1.948 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.763 -3.388 -0.238 1.00 0.00 C ATOM 0 H LEU A 45 -5.421 -5.989 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.761 -3.825 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.131 -5.560 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.383 -5.259 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.445 -2.966 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.447 -3.751 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.888 -4.747 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.606 -5.351 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.066 -2.719 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.227 -4.267 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.217 -2.870 -1.083 1.00 0.00 H new ATOM 711 N LYS A 46 -4.422 -2.851 -2.430 1.00 0.00 N ATOM 712 CA LYS A 46 -4.168 -1.637 -3.231 1.00 0.00 C ATOM 713 C LYS A 46 -5.443 -0.890 -3.628 1.00 0.00 C ATOM 714 O LYS A 46 -5.402 0.327 -3.788 1.00 0.00 O ATOM 715 CB LYS A 46 -3.278 -1.950 -4.450 1.00 0.00 C ATOM 716 CG LYS A 46 -4.032 -2.582 -5.634 1.00 0.00 C ATOM 717 CD LYS A 46 -4.465 -1.562 -6.706 1.00 0.00 C ATOM 718 CE LYS A 46 -5.497 -2.135 -7.687 1.00 0.00 C ATOM 719 NZ LYS A 46 -4.893 -3.001 -8.733 1.00 0.00 N ATOM 0 H LYS A 46 -4.141 -3.718 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.622 -0.952 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.804 -1.028 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.480 -2.625 -4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.396 -3.336 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.915 -3.098 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.884 -0.683 -6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.588 -1.230 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.237 -2.711 -7.131 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.028 -1.313 -8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.546 -3.777 -8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.713 -2.438 -9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.997 -3.395 -8.383 1.00 0.00 H new ATOM 733 N SER A 47 -6.559 -1.604 -3.788 1.00 0.00 N ATOM 734 CA SER A 47 -7.851 -1.034 -4.208 1.00 0.00 C ATOM 735 C SER A 47 -8.602 -0.351 -3.065 1.00 0.00 C ATOM 736 O SER A 47 -9.399 0.553 -3.322 1.00 0.00 O ATOM 737 CB SER A 47 -8.753 -2.110 -4.821 1.00 0.00 C ATOM 738 OG SER A 47 -8.320 -2.398 -6.139 1.00 0.00 O ATOM 0 H SER A 47 -6.596 -2.611 -3.628 1.00 0.00 H new ATOM 0 HA SER A 47 -7.612 -0.276 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.724 -3.014 -4.212 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.788 -1.768 -4.834 1.00 0.00 H new ATOM 0 HG SER A 47 -8.897 -3.088 -6.529 1.00 0.00 H new ATOM 744 N VAL A 48 -8.323 -0.716 -1.809 1.00 0.00 N ATOM 745 CA VAL A 48 -8.858 -0.020 -0.629 1.00 0.00 C ATOM 746 C VAL A 48 -7.927 1.089 -0.109 1.00 0.00 C ATOM 747 O VAL A 48 -8.392 1.995 0.583 1.00 0.00 O ATOM 748 CB VAL A 48 -9.241 -1.024 0.475 1.00 0.00 C ATOM 749 CG1 VAL A 48 -8.025 -1.708 1.081 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.956 -0.336 1.630 1.00 0.00 C ATOM 0 H VAL A 48 -7.718 -1.505 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.767 0.490 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.886 -1.753 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.347 -2.406 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.488 -2.251 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.367 -0.958 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.212 -1.074 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.302 0.421 2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.867 0.138 1.264 1.00 0.00 H new ATOM 760 N ILE A 49 -6.633 1.087 -0.467 1.00 0.00 N ATOM 761 CA ILE A 49 -5.709 2.168 -0.081 1.00 0.00 C ATOM 762 C ILE A 49 -6.275 3.559 -0.447 1.00 0.00 C ATOM 763 O ILE A 49 -6.290 4.423 0.429 1.00 0.00 O ATOM 764 CB ILE A 49 -4.272 1.975 -0.644 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.504 0.920 0.183 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.449 3.285 -0.640 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.118 0.534 -0.352 1.00 0.00 C ATOM 0 H ILE A 49 -6.202 0.349 -1.023 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.622 2.115 1.004 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.393 1.645 -1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.389 1.296 1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.114 0.018 0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.455 3.091 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.951 4.032 -1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.360 3.656 0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.669 -0.212 0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.218 0.121 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.481 1.418 -0.385 1.00 0.00 H new ATOM 779 N PRO A 50 -6.783 3.806 -1.677 1.00 0.00 N ATOM 780 CA PRO A 50 -7.336 5.114 -2.033 1.00 0.00 C ATOM 781 C PRO A 50 -8.703 5.379 -1.371 1.00 0.00 C ATOM 782 O PRO A 50 -9.062 6.533 -1.146 1.00 0.00 O ATOM 783 CB PRO A 50 -7.445 5.106 -3.562 1.00 0.00 C ATOM 784 CG PRO A 50 -7.639 3.629 -3.898 1.00 0.00 C ATOM 785 CD PRO A 50 -6.808 2.922 -2.840 1.00 0.00 C ATOM 0 HA PRO A 50 -6.694 5.918 -1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.284 5.710 -3.908 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.547 5.510 -4.030 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.688 3.339 -3.847 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.293 3.396 -4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.244 1.956 -2.585 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.799 2.730 -3.203 1.00 0.00 H new ATOM 793 N ASP A 51 -9.460 4.341 -0.996 1.00 0.00 N ATOM 794 CA ASP A 51 -10.713 4.474 -0.230 1.00 0.00 C ATOM 795 C ASP A 51 -10.472 5.033 1.182 1.00 0.00 C ATOM 796 O ASP A 51 -11.290 5.803 1.692 1.00 0.00 O ATOM 797 CB ASP A 51 -11.450 3.124 -0.152 1.00 0.00 C ATOM 798 CG ASP A 51 -12.655 3.058 -1.099 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.472 3.112 -2.338 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.795 2.948 -0.589 1.00 0.00 O ATOM 0 H ASP A 51 -9.221 3.374 -1.216 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.339 5.189 -0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.756 2.320 -0.396 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.786 2.956 0.871 1.00 0.00 H new ATOM 805 N ALA A 52 -9.316 4.741 1.790 1.00 0.00 N ATOM 806 CA ALA A 52 -8.871 5.385 3.029 1.00 0.00 C ATOM 807 C ALA A 52 -8.602 6.901 2.877 1.00 0.00 C ATOM 808 O ALA A 52 -8.477 7.607 3.880 1.00 0.00 O ATOM 809 CB ALA A 52 -7.650 4.634 3.573 1.00 0.00 C ATOM 0 H ALA A 52 -8.660 4.047 1.433 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.687 5.323 3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.313 5.107 4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.921 3.598 3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.847 4.662 2.836 1.00 0.00 H new ATOM 815 N LEU A 53 -8.567 7.413 1.640 1.00 0.00 N ATOM 816 CA LEU A 53 -8.348 8.823 1.281 1.00 0.00 C ATOM 817 C LEU A 53 -9.625 9.488 0.713 1.00 0.00 C ATOM 818 O LEU A 53 -9.668 10.709 0.557 1.00 0.00 O ATOM 819 CB LEU A 53 -7.195 8.932 0.256 1.00 0.00 C ATOM 820 CG LEU A 53 -5.995 7.981 0.453 1.00 0.00 C ATOM 821 CD1 LEU A 53 -4.997 8.097 -0.697 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.250 8.233 1.760 1.00 0.00 C ATOM 0 H LEU A 53 -8.698 6.824 0.817 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.083 9.356 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.607 8.758 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.823 9.956 0.272 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.422 6.978 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.165 7.414 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.491 7.841 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.622 9.119 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.417 7.535 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.870 9.255 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.930 8.089 2.600 1.00 0.00 H new ATOM 834 N SER A 54 -10.667 8.694 0.424 1.00 0.00 N ATOM 835 CA SER A 54 -11.916 9.122 -0.237 1.00 0.00 C ATOM 836 C SER A 54 -13.139 9.061 0.693 1.00 0.00 C ATOM 837 O SER A 54 -14.040 9.897 0.600 1.00 0.00 O ATOM 838 CB SER A 54 -12.162 8.223 -1.460 1.00 0.00 C ATOM 839 OG SER A 54 -13.061 8.829 -2.376 1.00 0.00 O ATOM 0 H SER A 54 -10.666 7.700 0.651 1.00 0.00 H new ATOM 0 HA SER A 54 -11.791 10.164 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.215 8.018 -1.959 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.564 7.264 -1.133 1.00 0.00 H new ATOM 0 HG SER A 54 -13.196 8.235 -3.143 1.00 0.00 H new ATOM 845 N ASN A 55 -13.156 8.094 1.616 1.00 0.00 N ATOM 846 CA ASN A 55 -14.219 7.855 2.604 1.00 0.00 C ATOM 847 C ASN A 55 -13.653 7.270 3.915 1.00 0.00 C ATOM 848 O ASN A 55 -14.364 6.581 4.641 1.00 0.00 O ATOM 849 CB ASN A 55 -15.344 6.987 1.982 1.00 0.00 C ATOM 850 CG ASN A 55 -14.869 5.956 0.974 1.00 0.00 C ATOM 851 OD1 ASN A 55 -14.925 6.159 -0.230 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.383 4.824 1.424 1.00 0.00 N ATOM 0 H ASN A 55 -12.393 7.423 1.700 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.667 8.810 2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.873 6.473 2.785 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.064 7.645 1.496 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -14.053 4.115 0.770 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.335 4.653 2.428 1.00 0.00 H new ATOM 859 N GLU A 56 -12.369 7.506 4.216 1.00 0.00 N ATOM 860 CA GLU A 56 -11.678 7.045 5.438 1.00 0.00 C ATOM 861 C GLU A 56 -11.861 5.536 5.733 1.00 0.00 C ATOM 862 O GLU A 56 -11.904 5.109 6.889 1.00 0.00 O ATOM 863 CB GLU A 56 -12.055 7.951 6.630 1.00 0.00 C ATOM 864 CG GLU A 56 -11.704 9.426 6.389 1.00 0.00 C ATOM 865 CD GLU A 56 -12.025 10.279 7.631 1.00 0.00 C ATOM 866 OE1 GLU A 56 -11.139 10.440 8.509 1.00 0.00 O ATOM 867 OE2 GLU A 56 -13.160 10.804 7.739 1.00 0.00 O ATOM 0 H GLU A 56 -11.758 8.040 3.598 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.607 7.143 5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.124 7.863 6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.539 7.601 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.646 9.517 6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.262 9.801 5.531 1.00 0.00 H new ATOM 874 N CYS A 57 -11.989 4.721 4.675 1.00 0.00 N ATOM 875 CA CYS A 57 -12.289 3.282 4.733 1.00 0.00 C ATOM 876 C CYS A 57 -13.611 2.945 5.464 1.00 0.00 C ATOM 877 O CYS A 57 -13.767 1.856 6.009 1.00 0.00 O ATOM 878 CB CYS A 57 -11.077 2.531 5.324 1.00 0.00 C ATOM 879 SG CYS A 57 -10.679 0.885 4.656 1.00 0.00 S ATOM 0 H CYS A 57 -11.882 5.059 3.719 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.458 2.939 3.712 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.199 3.164 5.197 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.241 2.425 6.396 1.00 0.00 H new ATOM 884 N ALA A 58 -14.590 3.851 5.523 1.00 0.00 N ATOM 885 CA ALA A 58 -15.805 3.645 6.314 1.00 0.00 C ATOM 886 C ALA A 58 -16.658 2.442 5.862 1.00 0.00 C ATOM 887 O ALA A 58 -17.290 1.786 6.695 1.00 0.00 O ATOM 888 CB ALA A 58 -16.612 4.952 6.285 1.00 0.00 C ATOM 0 H ALA A 58 -14.563 4.742 5.027 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.508 3.392 7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.525 4.829 6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.015 5.758 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.869 5.198 5.255 1.00 0.00 H new ATOM 894 N LYS A 59 -16.626 2.112 4.562 1.00 0.00 N ATOM 895 CA LYS A 59 -17.303 0.942 3.972 1.00 0.00 C ATOM 896 C LYS A 59 -16.575 -0.397 4.202 1.00 0.00 C ATOM 897 O LYS A 59 -17.132 -1.457 3.909 1.00 0.00 O ATOM 898 CB LYS A 59 -17.520 1.179 2.468 1.00 0.00 C ATOM 899 CG LYS A 59 -18.432 2.391 2.212 1.00 0.00 C ATOM 900 CD LYS A 59 -18.935 2.446 0.765 1.00 0.00 C ATOM 901 CE LYS A 59 -17.794 2.644 -0.245 1.00 0.00 C ATOM 902 NZ LYS A 59 -18.307 2.712 -1.638 1.00 0.00 N ATOM 0 H LYS A 59 -16.116 2.664 3.872 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.257 0.847 4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.558 1.338 1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.961 0.289 2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -19.285 2.350 2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -17.887 3.307 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -19.466 1.523 0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.652 3.261 0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -17.253 3.561 -0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -17.082 1.823 -0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -17.512 2.846 -2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -18.802 1.827 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -18.967 3.511 -1.726 1.00 0.00 H new ATOM 916 N CYS A 60 -15.335 -0.361 4.689 1.00 0.00 N ATOM 917 CA CYS A 60 -14.462 -1.512 4.886 1.00 0.00 C ATOM 918 C CYS A 60 -14.885 -2.401 6.066 1.00 0.00 C ATOM 919 O CYS A 60 -15.668 -2.010 6.935 1.00 0.00 O ATOM 920 CB CYS A 60 -13.052 -0.977 5.156 1.00 0.00 C ATOM 921 SG CYS A 60 -12.385 0.090 3.856 1.00 0.00 S ATOM 0 H CYS A 60 -14.893 0.515 4.969 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.513 -2.132 3.991 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.063 -0.421 6.093 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.378 -1.822 5.295 1.00 0.00 H new ATOM 926 N ASN A 61 -14.260 -3.573 6.140 1.00 0.00 N ATOM 927 CA ASN A 61 -14.146 -4.367 7.366 1.00 0.00 C ATOM 928 C ASN A 61 -12.963 -3.886 8.232 1.00 0.00 C ATOM 929 O ASN A 61 -12.027 -3.252 7.737 1.00 0.00 O ATOM 930 CB ASN A 61 -13.998 -5.854 6.990 1.00 0.00 C ATOM 931 CG ASN A 61 -12.759 -6.171 6.167 1.00 0.00 C ATOM 932 OD1 ASN A 61 -12.300 -5.409 5.333 1.00 0.00 O ATOM 933 ND2 ASN A 61 -12.158 -7.311 6.376 1.00 0.00 N ATOM 0 H ASN A 61 -13.809 -4.008 5.335 1.00 0.00 H new ATOM 0 HA ASN A 61 -15.049 -4.239 7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.974 -6.447 7.904 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.881 -6.165 6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.320 -7.551 5.846 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.526 -7.962 7.069 1.00 0.00 H new ATOM 940 N GLU A 62 -12.970 -4.236 9.521 1.00 0.00 N ATOM 941 CA GLU A 62 -11.949 -3.826 10.504 1.00 0.00 C ATOM 942 C GLU A 62 -10.505 -4.137 10.072 1.00 0.00 C ATOM 943 O GLU A 62 -9.591 -3.348 10.331 1.00 0.00 O ATOM 944 CB GLU A 62 -12.269 -4.461 11.873 1.00 0.00 C ATOM 945 CG GLU A 62 -12.086 -5.996 11.932 1.00 0.00 C ATOM 946 CD GLU A 62 -10.865 -6.498 12.736 1.00 0.00 C ATOM 947 OE1 GLU A 62 -9.887 -5.748 12.955 1.00 0.00 O ATOM 948 OE2 GLU A 62 -10.869 -7.695 13.109 1.00 0.00 O ATOM 0 H GLU A 62 -13.699 -4.825 9.924 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.996 -2.739 10.577 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.631 -4.003 12.629 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.299 -4.221 12.138 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.986 -6.434 12.363 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.006 -6.373 10.912 1.00 0.00 H new ATOM 955 N LYS A 63 -10.314 -5.254 9.348 1.00 0.00 N ATOM 956 CA LYS A 63 -8.995 -5.716 8.900 1.00 0.00 C ATOM 957 C LYS A 63 -8.340 -4.706 7.956 1.00 0.00 C ATOM 958 O LYS A 63 -7.154 -4.418 8.079 1.00 0.00 O ATOM 959 CB LYS A 63 -9.092 -7.082 8.198 1.00 0.00 C ATOM 960 CG LYS A 63 -9.626 -8.244 9.053 1.00 0.00 C ATOM 961 CD LYS A 63 -8.727 -8.554 10.260 1.00 0.00 C ATOM 962 CE LYS A 63 -9.069 -9.905 10.906 1.00 0.00 C ATOM 963 NZ LYS A 63 -10.411 -9.930 11.536 1.00 0.00 N ATOM 0 H LYS A 63 -11.078 -5.864 9.057 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.376 -5.817 9.791 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.735 -6.974 7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.101 -7.352 7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.628 -8.000 9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.714 -9.136 8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.684 -8.559 9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.831 -7.762 11.001 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.016 -10.686 10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.317 -10.141 11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.602 -10.882 11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.442 -9.241 12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.132 -9.685 10.828 1.00 0.00 H new ATOM 977 N GLN A 64 -9.128 -4.151 7.032 1.00 0.00 N ATOM 978 CA GLN A 64 -8.700 -3.131 6.071 1.00 0.00 C ATOM 979 C GLN A 64 -8.577 -1.743 6.714 1.00 0.00 C ATOM 980 O GLN A 64 -7.574 -1.067 6.491 1.00 0.00 O ATOM 981 CB GLN A 64 -9.697 -3.098 4.903 1.00 0.00 C ATOM 982 CG GLN A 64 -9.570 -4.349 4.029 1.00 0.00 C ATOM 983 CD GLN A 64 -10.465 -4.348 2.787 1.00 0.00 C ATOM 984 OE1 GLN A 64 -11.288 -3.476 2.541 1.00 0.00 O ATOM 985 NE2 GLN A 64 -10.293 -5.341 1.944 1.00 0.00 N ATOM 0 H GLN A 64 -10.110 -4.406 6.929 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.707 -3.396 5.708 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.713 -3.024 5.291 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.522 -2.209 4.297 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.532 -4.453 3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.809 -5.225 4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.608 -6.069 2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.845 -5.384 1.087 1.00 0.00 H new ATOM 994 N LYS A 65 -9.546 -1.348 7.556 1.00 0.00 N ATOM 995 CA LYS A 65 -9.536 -0.071 8.310 1.00 0.00 C ATOM 996 C LYS A 65 -8.241 0.156 9.094 1.00 0.00 C ATOM 997 O LYS A 65 -7.651 1.232 9.008 1.00 0.00 O ATOM 998 CB LYS A 65 -10.729 0.033 9.280 1.00 0.00 C ATOM 999 CG LYS A 65 -12.084 0.143 8.577 1.00 0.00 C ATOM 1000 CD LYS A 65 -13.215 0.453 9.565 1.00 0.00 C ATOM 1001 CE LYS A 65 -14.558 0.465 8.825 1.00 0.00 C ATOM 1002 NZ LYS A 65 -15.694 0.802 9.721 1.00 0.00 N ATOM 0 H LYS A 65 -10.375 -1.913 7.739 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.614 0.705 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.736 -0.843 9.929 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.590 0.904 9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.038 0.926 7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.301 -0.790 8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.233 -0.294 10.359 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.042 1.419 10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.515 1.188 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.731 -0.513 8.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.579 0.798 9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.754 0.099 10.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.545 1.746 10.131 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.791 -0.845 9.853 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.476 -0.807 10.510 1.00 0.00 C ATOM 1018 C GLU A 66 -5.332 -1.099 9.528 1.00 0.00 C ATOM 1019 O GLU A 66 -4.305 -0.420 9.562 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.432 -1.795 11.688 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.309 -1.315 12.856 1.00 0.00 C ATOM 1022 CD GLU A 66 -7.219 -2.216 14.110 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -6.159 -2.840 14.366 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -8.203 -2.262 14.889 1.00 0.00 O ATOM 0 H GLU A 66 -8.320 -1.699 10.031 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.334 0.205 10.888 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.772 -2.776 11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.403 -1.913 12.028 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.016 -0.301 13.126 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.347 -1.270 12.525 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.514 -2.081 8.639 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.497 -2.585 7.716 1.00 0.00 C ATOM 1033 C GLY A 67 -3.914 -1.536 6.776 1.00 0.00 C ATOM 1034 O GLY A 67 -2.725 -1.245 6.844 1.00 0.00 O ATOM 0 H GLY A 67 -6.407 -2.563 8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.685 -3.025 8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.933 -3.386 7.119 1.00 0.00 H new ATOM 1038 N THR A 68 -4.701 -0.913 5.902 1.00 0.00 N ATOM 1039 CA THR A 68 -4.118 0.052 4.950 1.00 0.00 C ATOM 1040 C THR A 68 -3.584 1.304 5.644 1.00 0.00 C ATOM 1041 O THR A 68 -2.551 1.827 5.226 1.00 0.00 O ATOM 1042 CB THR A 68 -5.085 0.418 3.826 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.284 0.948 4.344 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.385 -0.836 3.006 1.00 0.00 C ATOM 0 H THR A 68 -5.709 -1.046 5.826 1.00 0.00 H new ATOM 0 HA THR A 68 -3.268 -0.456 4.495 1.00 0.00 H new ATOM 0 HB THR A 68 -4.625 1.179 3.196 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.887 1.176 3.606 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.075 -0.587 2.200 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.458 -1.225 2.584 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.836 -1.592 3.649 1.00 0.00 H new ATOM 1052 N LYS A 69 -4.205 1.727 6.754 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.750 2.831 7.618 1.00 0.00 C ATOM 1054 C LYS A 69 -2.366 2.583 8.241 1.00 0.00 C ATOM 1055 O LYS A 69 -1.492 3.441 8.136 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.832 3.083 8.683 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.511 4.276 9.598 1.00 0.00 C ATOM 1058 CD LYS A 69 -5.676 4.645 10.530 1.00 0.00 C ATOM 1059 CE LYS A 69 -6.058 3.498 11.477 1.00 0.00 C ATOM 1060 NZ LYS A 69 -7.119 3.911 12.433 1.00 0.00 N ATOM 0 H LYS A 69 -5.067 1.297 7.088 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.616 3.724 7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.787 3.259 8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.950 2.187 9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.632 4.041 10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.256 5.140 8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.403 5.521 11.118 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.543 4.921 9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.404 2.644 10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.177 3.172 12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.353 3.113 13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.779 4.710 13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.968 4.199 11.906 1.00 0.00 H new ATOM 1074 N LYS A 70 -2.128 1.418 8.856 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.805 1.047 9.411 1.00 0.00 C ATOM 1076 C LYS A 70 0.221 0.823 8.305 1.00 0.00 C ATOM 1077 O LYS A 70 1.351 1.297 8.401 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.907 -0.145 10.399 1.00 0.00 C ATOM 1079 CG LYS A 70 -1.168 -1.522 9.761 1.00 0.00 C ATOM 1080 CD LYS A 70 -1.765 -2.595 10.683 1.00 0.00 C ATOM 1081 CE LYS A 70 -0.879 -2.970 11.878 1.00 0.00 C ATOM 1082 NZ LYS A 70 0.212 -3.911 11.509 1.00 0.00 N ATOM 0 H LYS A 70 -2.842 0.701 8.987 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.442 1.891 9.998 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.020 -0.200 10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.707 0.063 11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.841 -1.385 8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.226 -1.899 9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.726 -2.242 11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.961 -3.492 10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.445 -2.064 12.302 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.496 -3.422 12.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.780 -4.132 12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.199 -4.788 11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.819 -3.473 10.787 1.00 0.00 H new ATOM 1096 N VAL A 71 -0.152 0.123 7.236 1.00 0.00 N ATOM 1097 CA VAL A 71 0.741 -0.210 6.115 1.00 0.00 C ATOM 1098 C VAL A 71 1.241 1.027 5.377 1.00 0.00 C ATOM 1099 O VAL A 71 2.438 1.103 5.109 1.00 0.00 O ATOM 1100 CB VAL A 71 0.043 -1.207 5.175 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.829 -1.475 3.886 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.150 -2.534 5.926 1.00 0.00 C ATOM 0 H VAL A 71 -1.099 -0.238 7.117 1.00 0.00 H new ATOM 0 HA VAL A 71 1.634 -0.684 6.521 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.909 -0.765 4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.282 -2.186 3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.958 -0.542 3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.807 -1.888 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.644 -3.253 5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.821 -2.926 6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.764 -2.365 6.811 1.00 0.00 H new ATOM 1112 N LEU A 72 0.387 2.030 5.149 1.00 0.00 N ATOM 1113 CA LEU A 72 0.763 3.331 4.573 1.00 0.00 C ATOM 1114 C LEU A 72 1.988 3.937 5.263 1.00 0.00 C ATOM 1115 O LEU A 72 2.918 4.358 4.575 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.490 4.233 4.544 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.372 5.751 4.770 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.688 6.365 4.301 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.215 6.106 6.254 1.00 0.00 C ATOM 0 H LEU A 72 -0.608 1.961 5.364 1.00 0.00 H new ATOM 0 HA LEU A 72 1.097 3.211 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.966 4.089 3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.179 3.849 5.297 1.00 0.00 H new ATOM 0 HG LEU A 72 0.502 6.119 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.656 7.446 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.839 6.140 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.511 5.949 4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.136 7.188 6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.083 5.748 6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.686 5.635 6.648 1.00 0.00 H new ATOM 1131 N LYS A 73 2.041 3.901 6.602 1.00 0.00 N ATOM 1132 CA LYS A 73 3.112 4.503 7.398 1.00 0.00 C ATOM 1133 C LYS A 73 4.441 3.765 7.236 1.00 0.00 C ATOM 1134 O LYS A 73 5.485 4.389 7.054 1.00 0.00 O ATOM 1135 CB LYS A 73 2.646 4.496 8.865 1.00 0.00 C ATOM 1136 CG LYS A 73 3.574 5.253 9.820 1.00 0.00 C ATOM 1137 CD LYS A 73 3.779 6.704 9.365 1.00 0.00 C ATOM 1138 CE LYS A 73 4.066 7.606 10.563 1.00 0.00 C ATOM 1139 NZ LYS A 73 5.417 7.389 11.153 1.00 0.00 N ATOM 0 H LYS A 73 1.327 3.444 7.169 1.00 0.00 H new ATOM 0 HA LYS A 73 3.299 5.520 7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.650 4.934 8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.559 3.463 9.202 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.153 5.241 10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.538 4.746 9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.606 6.756 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.890 7.056 8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.975 8.648 10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.310 7.433 11.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.449 7.801 12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.611 6.369 11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.135 7.845 10.554 1.00 0.00 H new ATOM 1153 N HIS A 74 4.402 2.432 7.248 1.00 0.00 N ATOM 1154 CA HIS A 74 5.560 1.571 6.982 1.00 0.00 C ATOM 1155 C HIS A 74 6.061 1.751 5.549 1.00 0.00 C ATOM 1156 O HIS A 74 7.260 1.906 5.350 1.00 0.00 O ATOM 1157 CB HIS A 74 5.211 0.096 7.236 1.00 0.00 C ATOM 1158 CG HIS A 74 4.840 -0.225 8.661 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.578 -0.095 9.201 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.633 -0.822 9.604 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.580 -0.641 10.427 1.00 0.00 C ATOM 1162 NE2 HIS A 74 4.832 -1.061 10.711 1.00 0.00 N ATOM 0 H HIS A 74 3.549 1.909 7.446 1.00 0.00 H new ATOM 0 HA HIS A 74 6.356 1.866 7.665 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.382 -0.184 6.587 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.063 -0.520 6.949 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.777 0.343 8.745 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.682 -1.061 9.505 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.723 -0.730 11.078 1.00 0.00 H new ATOM 1171 N LEU A 75 5.169 1.785 4.559 1.00 0.00 N ATOM 1172 CA LEU A 75 5.536 1.939 3.150 1.00 0.00 C ATOM 1173 C LEU A 75 6.282 3.259 2.900 1.00 0.00 C ATOM 1174 O LEU A 75 7.344 3.243 2.284 1.00 0.00 O ATOM 1175 CB LEU A 75 4.265 1.863 2.277 1.00 0.00 C ATOM 1176 CG LEU A 75 4.077 0.524 1.547 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.199 -0.685 2.479 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.709 0.526 0.861 1.00 0.00 C ATOM 0 H LEU A 75 4.164 1.706 4.713 1.00 0.00 H new ATOM 0 HA LEU A 75 6.213 1.128 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.394 2.045 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.297 2.664 1.539 1.00 0.00 H new ATOM 0 HG LEU A 75 4.877 0.428 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.057 -1.602 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.188 -0.693 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.439 -0.622 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.563 -0.419 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.927 0.652 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.662 1.347 0.145 1.00 0.00 H new ATOM 1190 N ILE A 76 5.791 4.388 3.427 1.00 0.00 N ATOM 1191 CA ILE A 76 6.496 5.679 3.320 1.00 0.00 C ATOM 1192 C ILE A 76 7.834 5.680 4.086 1.00 0.00 C ATOM 1193 O ILE A 76 8.813 6.250 3.606 1.00 0.00 O ATOM 1194 CB ILE A 76 5.547 6.844 3.703 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.087 8.237 3.337 1.00 0.00 C ATOM 1196 CG2 ILE A 76 5.059 6.848 5.155 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.910 8.954 4.418 1.00 0.00 C ATOM 0 H ILE A 76 4.907 4.437 3.933 1.00 0.00 H new ATOM 0 HA ILE A 76 6.779 5.836 2.279 1.00 0.00 H new ATOM 0 HB ILE A 76 4.679 6.633 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.705 8.141 2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.242 8.873 3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.403 7.703 5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.512 5.927 5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.915 6.916 5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.235 9.925 4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.297 9.095 5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.783 8.352 4.670 1.00 0.00 H new ATOM 1209 N ASN A 77 7.920 4.988 5.230 1.00 0.00 N ATOM 1210 CA ASN A 77 9.164 4.841 6.006 1.00 0.00 C ATOM 1211 C ASN A 77 10.229 3.950 5.332 1.00 0.00 C ATOM 1212 O ASN A 77 11.422 4.249 5.415 1.00 0.00 O ATOM 1213 CB ASN A 77 8.829 4.296 7.410 1.00 0.00 C ATOM 1214 CG ASN A 77 8.552 5.417 8.392 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.411 5.797 9.173 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.381 6.008 8.357 1.00 0.00 N ATOM 0 H ASN A 77 7.122 4.509 5.649 1.00 0.00 H new ATOM 0 HA ASN A 77 9.608 5.834 6.070 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.959 3.642 7.349 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.659 3.690 7.773 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.185 6.788 8.984 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.667 5.687 7.703 1.00 0.00 H new ATOM 1223 N HIS A 78 9.811 2.857 4.683 1.00 0.00 N ATOM 1224 CA HIS A 78 10.695 1.769 4.214 1.00 0.00 C ATOM 1225 C HIS A 78 10.871 1.679 2.693 1.00 0.00 C ATOM 1226 O HIS A 78 11.889 1.169 2.219 1.00 0.00 O ATOM 1227 CB HIS A 78 10.163 0.429 4.738 1.00 0.00 C ATOM 1228 CG HIS A 78 10.346 0.239 6.226 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.540 -0.060 6.859 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.376 0.327 7.190 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.303 -0.148 8.184 1.00 0.00 C ATOM 1232 NE2 HIS A 78 9.993 0.087 8.407 1.00 0.00 N ATOM 0 H HIS A 78 8.829 2.695 4.462 1.00 0.00 H new ATOM 0 HA HIS A 78 11.683 2.003 4.610 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.102 0.352 4.499 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.668 -0.382 4.213 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.330 0.542 7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.040 -0.370 8.941 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.534 0.088 9.318 1.00 0.00 H new ATOM 1241 N LYS A 79 9.917 2.209 1.926 1.00 0.00 N ATOM 1242 CA LYS A 79 9.923 2.303 0.457 1.00 0.00 C ATOM 1243 C LYS A 79 9.574 3.727 -0.002 1.00 0.00 C ATOM 1244 O LYS A 79 8.657 3.898 -0.799 1.00 0.00 O ATOM 1245 CB LYS A 79 8.994 1.209 -0.126 1.00 0.00 C ATOM 1246 CG LYS A 79 9.641 -0.175 -0.278 1.00 0.00 C ATOM 1247 CD LYS A 79 10.557 -0.293 -1.510 1.00 0.00 C ATOM 1248 CE LYS A 79 11.919 0.395 -1.330 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.956 -0.152 -2.248 1.00 0.00 N ATOM 0 H LYS A 79 9.070 2.608 2.331 1.00 0.00 H new ATOM 0 HA LYS A 79 10.924 2.114 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.119 1.116 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.639 1.537 -1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.220 -0.397 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.856 -0.929 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.718 -1.348 -1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.051 0.141 -2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.809 1.465 -1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.250 0.275 -0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.857 0.343 -2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.082 -1.168 -2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.654 -0.014 -3.234 1.00 0.00 H new ATOM 1263 N PRO A 80 10.303 4.761 0.459 1.00 0.00 N ATOM 1264 CA PRO A 80 9.978 6.166 0.182 1.00 0.00 C ATOM 1265 C PRO A 80 9.986 6.496 -1.322 1.00 0.00 C ATOM 1266 O PRO A 80 9.071 7.145 -1.827 1.00 0.00 O ATOM 1267 CB PRO A 80 11.024 6.976 0.956 1.00 0.00 C ATOM 1268 CG PRO A 80 12.211 6.020 1.088 1.00 0.00 C ATOM 1269 CD PRO A 80 11.550 4.652 1.205 1.00 0.00 C ATOM 0 HA PRO A 80 8.963 6.405 0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.301 7.884 0.421 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.649 7.283 1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.870 6.075 0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.817 6.250 1.964 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.188 3.871 0.792 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.363 4.394 2.247 1.00 0.00 H new ATOM 1277 N ASP A 81 10.984 5.997 -2.057 1.00 0.00 N ATOM 1278 CA ASP A 81 11.115 6.194 -3.511 1.00 0.00 C ATOM 1279 C ASP A 81 9.957 5.581 -4.328 1.00 0.00 C ATOM 1280 O ASP A 81 9.517 6.168 -5.318 1.00 0.00 O ATOM 1281 CB ASP A 81 12.462 5.609 -3.959 1.00 0.00 C ATOM 1282 CG ASP A 81 12.726 5.843 -5.456 1.00 0.00 C ATOM 1283 OD1 ASP A 81 13.091 6.982 -5.835 1.00 0.00 O ATOM 1284 OD2 ASP A 81 12.594 4.883 -6.251 1.00 0.00 O ATOM 0 H ASP A 81 11.736 5.436 -1.657 1.00 0.00 H new ATOM 0 HA ASP A 81 11.070 7.265 -3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.265 6.060 -3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.479 4.539 -3.751 1.00 0.00 H new ATOM 1289 N VAL A 82 9.436 4.419 -3.911 1.00 0.00 N ATOM 1290 CA VAL A 82 8.261 3.782 -4.543 1.00 0.00 C ATOM 1291 C VAL A 82 6.950 4.389 -4.041 1.00 0.00 C ATOM 1292 O VAL A 82 6.039 4.624 -4.834 1.00 0.00 O ATOM 1293 CB VAL A 82 8.266 2.256 -4.349 1.00 0.00 C ATOM 1294 CG1 VAL A 82 7.035 1.627 -5.006 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.519 1.626 -4.973 1.00 0.00 C ATOM 0 H VAL A 82 9.814 3.890 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 82 8.333 3.981 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 82 8.256 2.066 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.056 0.547 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.132 2.038 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.040 1.848 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.497 0.547 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.542 1.842 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.409 2.041 -4.500 1.00 0.00 H new ATOM 1305 N TRP A 83 6.859 4.720 -2.751 1.00 0.00 N ATOM 1306 CA TRP A 83 5.746 5.481 -2.176 1.00 0.00 C ATOM 1307 C TRP A 83 5.461 6.770 -2.958 1.00 0.00 C ATOM 1308 O TRP A 83 4.302 7.038 -3.268 1.00 0.00 O ATOM 1309 CB TRP A 83 6.040 5.789 -0.702 1.00 0.00 C ATOM 1310 CG TRP A 83 5.251 6.936 -0.157 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.725 8.185 0.044 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.823 7.002 0.121 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.699 9.013 0.455 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.500 8.338 0.508 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.767 6.070 0.050 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.192 8.731 0.816 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.445 6.460 0.322 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.160 7.785 0.694 1.00 0.00 C ATOM 0 H TRP A 83 7.568 4.463 -2.065 1.00 0.00 H new ATOM 0 HA TRP A 83 4.847 4.868 -2.245 1.00 0.00 H new ATOM 0 HB2 TRP A 83 5.831 4.901 -0.106 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.103 6.005 -0.590 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.752 8.490 -0.096 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.815 9.999 0.689 1.00 0.00 H new ATOM 0 HE3 TRP A 83 2.977 5.045 -0.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.981 9.739 1.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.645 5.739 0.245 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.139 8.079 0.888 1.00 0.00 H new ATOM 1329 N ALA A 84 6.495 7.517 -3.365 1.00 0.00 N ATOM 1330 CA ALA A 84 6.353 8.711 -4.201 1.00 0.00 C ATOM 1331 C ALA A 84 5.567 8.465 -5.510 1.00 0.00 C ATOM 1332 O ALA A 84 4.923 9.382 -6.015 1.00 0.00 O ATOM 1333 CB ALA A 84 7.751 9.279 -4.475 1.00 0.00 C ATOM 0 H ALA A 84 7.462 7.306 -3.120 1.00 0.00 H new ATOM 0 HA ALA A 84 5.751 9.437 -3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.666 10.170 -5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.229 9.540 -3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.353 8.531 -4.992 1.00 0.00 H new ATOM 1339 N GLN A 85 5.570 7.237 -6.040 1.00 0.00 N ATOM 1340 CA GLN A 85 4.788 6.830 -7.218 1.00 0.00 C ATOM 1341 C GLN A 85 3.314 6.556 -6.872 1.00 0.00 C ATOM 1342 O GLN A 85 2.424 6.919 -7.645 1.00 0.00 O ATOM 1343 CB GLN A 85 5.429 5.596 -7.886 1.00 0.00 C ATOM 1344 CG GLN A 85 6.953 5.762 -8.004 1.00 0.00 C ATOM 1345 CD GLN A 85 7.614 4.838 -9.024 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.103 4.575 -10.105 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.789 4.318 -8.730 1.00 0.00 N ATOM 0 H GLN A 85 6.130 6.477 -5.653 1.00 0.00 H new ATOM 0 HA GLN A 85 4.801 7.663 -7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.201 4.703 -7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.998 5.449 -8.876 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.173 6.795 -8.272 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.402 5.584 -7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.229 4.527 -7.834 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.258 3.707 -9.399 1.00 0.00 H new ATOM 1356 N LEU A 86 3.054 5.977 -5.690 1.00 0.00 N ATOM 1357 CA LEU A 86 1.702 5.797 -5.129 1.00 0.00 C ATOM 1358 C LEU A 86 1.028 7.162 -4.964 1.00 0.00 C ATOM 1359 O LEU A 86 0.063 7.466 -5.667 1.00 0.00 O ATOM 1360 CB LEU A 86 1.782 5.051 -3.770 1.00 0.00 C ATOM 1361 CG LEU A 86 0.496 4.474 -3.140 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.499 5.546 -2.695 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.215 3.482 -4.055 1.00 0.00 C ATOM 0 H LEU A 86 3.790 5.613 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 86 1.104 5.193 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.484 4.226 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.220 5.738 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 86 0.848 3.948 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.378 5.069 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.031 6.190 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.798 6.145 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.112 3.109 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.493 3.979 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.451 2.648 -4.275 1.00 0.00 H new ATOM 1375 N LYS A 87 1.586 8.024 -4.102 1.00 0.00 N ATOM 1376 CA LYS A 87 1.009 9.336 -3.761 1.00 0.00 C ATOM 1377 C LYS A 87 0.860 10.275 -4.957 1.00 0.00 C ATOM 1378 O LYS A 87 -0.036 11.105 -4.965 1.00 0.00 O ATOM 1379 CB LYS A 87 1.776 10.032 -2.629 1.00 0.00 C ATOM 1380 CG LYS A 87 3.301 10.015 -2.793 1.00 0.00 C ATOM 1381 CD LYS A 87 3.991 11.237 -2.193 1.00 0.00 C ATOM 1382 CE LYS A 87 3.843 12.447 -3.121 1.00 0.00 C ATOM 1383 NZ LYS A 87 4.150 13.706 -2.404 1.00 0.00 N ATOM 0 H LYS A 87 2.461 7.829 -3.615 1.00 0.00 H new ATOM 0 HA LYS A 87 0.002 9.111 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.441 11.067 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.519 9.553 -1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.699 9.116 -2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.544 9.955 -3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.559 11.464 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.047 11.023 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.511 12.339 -3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.827 12.486 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.192 14.492 -3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.407 13.896 -1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.067 13.616 -1.922 1.00 0.00 H new ATOM 1397 N ALA A 88 1.706 10.156 -5.976 1.00 0.00 N ATOM 1398 CA ALA A 88 1.634 10.996 -7.174 1.00 0.00 C ATOM 1399 C ALA A 88 0.371 10.716 -8.008 1.00 0.00 C ATOM 1400 O ALA A 88 -0.326 11.647 -8.418 1.00 0.00 O ATOM 1401 CB ALA A 88 2.890 10.771 -8.014 1.00 0.00 C ATOM 0 H ALA A 88 2.464 9.474 -5.997 1.00 0.00 H new ATOM 0 HA ALA A 88 1.575 12.038 -6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.846 11.392 -8.908 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.771 11.038 -7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.951 9.722 -8.304 1.00 0.00 H new ATOM 1407 N LYS A 89 0.059 9.431 -8.226 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.155 8.989 -8.929 1.00 0.00 C ATOM 1409 C LYS A 89 -2.402 9.101 -8.040 1.00 0.00 C ATOM 1410 O LYS A 89 -3.472 9.470 -8.520 1.00 0.00 O ATOM 1411 CB LYS A 89 -0.917 7.551 -9.426 1.00 0.00 C ATOM 1412 CG LYS A 89 -2.031 7.057 -10.365 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.746 5.664 -10.957 1.00 0.00 C ATOM 1414 CE LYS A 89 -0.494 5.578 -11.848 1.00 0.00 C ATOM 1415 NZ LYS A 89 -0.615 6.396 -13.085 1.00 0.00 N ATOM 0 H LYS A 89 0.649 8.659 -7.916 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.350 9.640 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.039 7.504 -9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.846 6.881 -8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.973 7.027 -9.818 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.157 7.772 -11.178 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.640 4.953 -10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.611 5.350 -11.541 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.375 5.911 -11.280 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.317 4.538 -12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.254 6.303 -13.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.427 6.064 -13.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.756 7.394 -12.829 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.256 8.800 -6.748 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.360 8.731 -5.781 1.00 0.00 C ATOM 1431 C TYR A 90 -3.718 10.093 -5.154 1.00 0.00 C ATOM 1432 O TYR A 90 -4.836 10.257 -4.668 1.00 0.00 O ATOM 1433 CB TYR A 90 -3.017 7.701 -4.688 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.240 6.230 -5.041 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.135 5.735 -6.361 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.522 5.331 -3.995 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.316 4.363 -6.629 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.667 3.955 -4.256 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.585 3.466 -5.576 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.767 2.141 -5.835 1.00 0.00 O ATOM 0 H TYR A 90 -1.348 8.592 -6.333 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.248 8.417 -6.329 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.970 7.831 -4.414 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.610 7.933 -3.803 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.914 6.414 -7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.628 5.699 -2.985 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.248 3.999 -7.643 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.842 3.270 -3.440 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.286 1.734 -5.110 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.807 11.072 -5.173 1.00 0.00 N ATOM 1451 CA ASP A 91 -2.982 12.403 -4.572 1.00 0.00 C ATOM 1452 C ASP A 91 -2.186 13.483 -5.348 1.00 0.00 C ATOM 1453 O ASP A 91 -1.138 13.950 -4.883 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.596 12.367 -3.080 1.00 0.00 C ATOM 1455 CG ASP A 91 -2.983 13.670 -2.348 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.588 14.582 -2.964 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.640 13.798 -1.149 1.00 0.00 O ATOM 0 H ASP A 91 -1.898 10.958 -5.621 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.034 12.679 -4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.088 11.522 -2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.522 12.205 -2.988 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.643 13.887 -6.551 1.00 0.00 N ATOM 1463 CA PRO A 92 -1.895 14.763 -7.463 1.00 0.00 C ATOM 1464 C PRO A 92 -1.650 16.200 -6.950 1.00 0.00 C ATOM 1465 O PRO A 92 -0.898 16.949 -7.575 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.688 14.751 -8.776 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.115 14.452 -8.323 1.00 0.00 C ATOM 1468 CD PRO A 92 -3.904 13.488 -7.160 1.00 0.00 C ATOM 0 HA PRO A 92 -0.880 14.382 -7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.623 15.708 -9.294 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.317 13.991 -9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.638 15.356 -8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.707 14.001 -9.120 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.723 13.551 -6.444 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.863 12.456 -7.508 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.235 16.585 -5.809 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.005 17.867 -5.121 1.00 0.00 C ATOM 1478 C ASP A 93 -1.317 17.703 -3.745 1.00 0.00 C ATOM 1479 O ASP A 93 -0.932 18.692 -3.115 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.344 18.608 -4.984 1.00 0.00 C ATOM 1481 CG ASP A 93 -3.879 19.097 -6.340 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -3.350 20.105 -6.871 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -4.846 18.498 -6.871 1.00 0.00 O ATOM 0 H ASP A 93 -2.906 15.993 -5.320 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.314 18.453 -5.727 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.078 17.947 -4.523 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.219 19.460 -4.316 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.127 16.463 -3.275 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.542 16.132 -1.967 1.00 0.00 C ATOM 1490 C GLY A 94 -1.393 16.531 -0.747 1.00 0.00 C ATOM 1491 O GLY A 94 -0.876 16.545 0.372 1.00 0.00 O ATOM 0 H GLY A 94 -1.384 15.635 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.363 15.058 -1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.429 16.620 -1.887 1.00 0.00 H new ATOM 1495 N THR A 95 -2.666 16.886 -0.951 1.00 0.00 N ATOM 1496 CA THR A 95 -3.580 17.490 0.038 1.00 0.00 C ATOM 1497 C THR A 95 -3.780 16.654 1.310 1.00 0.00 C ATOM 1498 O THR A 95 -4.009 17.221 2.381 1.00 0.00 O ATOM 1499 CB THR A 95 -4.947 17.771 -0.619 1.00 0.00 C ATOM 1500 OG1 THR A 95 -4.761 18.486 -1.825 1.00 0.00 O ATOM 1501 CG2 THR A 95 -5.882 18.622 0.244 1.00 0.00 C ATOM 0 H THR A 95 -3.115 16.755 -1.857 1.00 0.00 H new ATOM 0 HA THR A 95 -3.103 18.416 0.359 1.00 0.00 H new ATOM 0 HB THR A 95 -5.400 16.792 -0.772 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.632 18.661 -2.239 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.823 18.778 -0.284 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.075 18.109 1.186 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.415 19.586 0.445 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.650 15.325 1.227 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.793 14.404 2.368 1.00 0.00 C ATOM 1511 C TYR A 96 -2.618 13.424 2.513 1.00 0.00 C ATOM 1512 O TYR A 96 -2.363 12.966 3.625 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.152 13.687 2.329 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.613 13.309 0.941 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.070 12.182 0.301 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.514 14.150 0.260 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.423 11.903 -1.030 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -6.863 13.873 -1.073 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.320 12.745 -1.724 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.651 12.474 -3.017 1.00 0.00 O ATOM 0 H TYR A 96 -3.439 14.848 0.351 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.764 15.016 3.269 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.092 12.785 2.938 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.903 14.331 2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.386 11.534 0.829 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.937 15.008 0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.006 11.039 -1.526 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.546 14.523 -1.599 1.00 0.00 H new ATOM 0 HH TYR A 96 -6.014 11.829 -3.389 1.00 0.00 H new ATOM 1530 N SER A 97 -1.833 13.186 1.458 1.00 0.00 N ATOM 1531 CA SER A 97 -0.536 12.493 1.519 1.00 0.00 C ATOM 1532 C SER A 97 0.404 13.136 2.548 1.00 0.00 C ATOM 1533 O SER A 97 1.002 12.453 3.385 1.00 0.00 O ATOM 1534 CB SER A 97 0.105 12.544 0.125 1.00 0.00 C ATOM 1535 OG SER A 97 1.403 11.984 0.114 1.00 0.00 O ATOM 0 H SER A 97 -2.085 13.476 0.513 1.00 0.00 H new ATOM 0 HA SER A 97 -0.702 11.462 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.526 12.008 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.155 13.579 -0.213 1.00 0.00 H new ATOM 0 HG SER A 97 2.068 12.698 0.210 1.00 0.00 H new ATOM 1541 N LYS A 98 0.486 14.478 2.541 1.00 0.00 N ATOM 1542 CA LYS A 98 1.399 15.249 3.400 1.00 0.00 C ATOM 1543 C LYS A 98 1.231 15.003 4.904 1.00 0.00 C ATOM 1544 O LYS A 98 2.219 15.094 5.632 1.00 0.00 O ATOM 1545 CB LYS A 98 1.287 16.750 3.078 1.00 0.00 C ATOM 1546 CG LYS A 98 2.121 17.136 1.846 1.00 0.00 C ATOM 1547 CD LYS A 98 2.017 18.646 1.577 1.00 0.00 C ATOM 1548 CE LYS A 98 3.016 19.137 0.518 1.00 0.00 C ATOM 1549 NZ LYS A 98 2.690 18.648 -0.848 1.00 0.00 N ATOM 0 H LYS A 98 -0.086 15.063 1.932 1.00 0.00 H new ATOM 0 HA LYS A 98 2.400 14.886 3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.242 17.007 2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.619 17.332 3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.163 16.860 2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.773 16.581 0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.004 18.882 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.187 19.188 2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.030 20.227 0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.018 18.806 0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.395 19.008 -1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.702 17.608 -0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.745 18.985 -1.121 1.00 0.00 H new ATOM 1563 N LYS A 99 0.025 14.636 5.364 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.327 14.388 6.782 1.00 0.00 C ATOM 1565 C LYS A 99 0.600 13.380 7.486 1.00 0.00 C ATOM 1566 O LYS A 99 0.814 13.477 8.696 1.00 0.00 O ATOM 1567 CB LYS A 99 -1.795 13.920 6.869 1.00 0.00 C ATOM 1568 CG LYS A 99 -2.842 14.897 6.296 1.00 0.00 C ATOM 1569 CD LYS A 99 -3.020 16.213 7.067 1.00 0.00 C ATOM 1570 CE LYS A 99 -3.580 15.980 8.479 1.00 0.00 C ATOM 1571 NZ LYS A 99 -3.875 17.263 9.169 1.00 0.00 N ATOM 0 H LYS A 99 -0.768 14.497 4.738 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.194 15.332 7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.886 12.969 6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.036 13.731 7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.566 15.134 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.805 14.387 6.258 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.060 16.725 7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.692 16.869 6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.489 15.382 8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.862 15.407 9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.251 17.068 10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.002 17.822 9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.579 17.798 8.621 1.00 0.00 H new ATOM 1585 N TYR A 100 1.173 12.446 6.724 1.00 0.00 N ATOM 1586 CA TYR A 100 2.080 11.386 7.188 1.00 0.00 C ATOM 1587 C TYR A 100 3.344 11.244 6.317 1.00 0.00 C ATOM 1588 O TYR A 100 4.352 10.737 6.803 1.00 0.00 O ATOM 1589 CB TYR A 100 1.307 10.063 7.313 1.00 0.00 C ATOM 1590 CG TYR A 100 0.393 9.814 6.135 1.00 0.00 C ATOM 1591 CD1 TYR A 100 0.881 9.182 4.981 1.00 0.00 C ATOM 1592 CD2 TYR A 100 -0.917 10.326 6.157 1.00 0.00 C ATOM 1593 CE1 TYR A 100 0.073 9.104 3.841 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -1.721 10.264 5.008 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.222 9.664 3.833 1.00 0.00 C ATOM 1596 OH TYR A 100 -2.010 9.551 2.728 1.00 0.00 O ATOM 0 H TYR A 100 1.011 12.403 5.718 1.00 0.00 H new ATOM 0 HA TYR A 100 2.449 11.672 8.173 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.015 9.239 7.400 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.718 10.075 8.230 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.874 8.758 4.973 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.306 10.769 7.062 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.445 8.609 2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.720 10.675 5.024 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.870 9.992 2.893 1.00 0.00 H new ATOM 1606 N GLU A 101 3.355 11.739 5.075 1.00 0.00 N ATOM 1607 CA GLU A 101 4.580 11.880 4.269 1.00 0.00 C ATOM 1608 C GLU A 101 5.604 12.829 4.928 1.00 0.00 C ATOM 1609 O GLU A 101 6.787 12.494 5.040 1.00 0.00 O ATOM 1610 CB GLU A 101 4.186 12.383 2.872 1.00 0.00 C ATOM 1611 CG GLU A 101 5.358 12.562 1.900 1.00 0.00 C ATOM 1612 CD GLU A 101 4.947 13.268 0.594 1.00 0.00 C ATOM 1613 OE1 GLU A 101 3.745 13.546 0.358 1.00 0.00 O ATOM 1614 OE2 GLU A 101 5.843 13.526 -0.245 1.00 0.00 O ATOM 0 H GLU A 101 2.512 12.056 4.595 1.00 0.00 H new ATOM 0 HA GLU A 101 5.068 10.908 4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.474 11.682 2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.670 13.337 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.144 13.139 2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.780 11.585 1.663 1.00 0.00 H new ATOM 1621 N ASP A 102 5.152 13.989 5.425 1.00 0.00 N ATOM 1622 CA ASP A 102 6.004 14.976 6.112 1.00 0.00 C ATOM 1623 C ASP A 102 6.641 14.434 7.406 1.00 0.00 C ATOM 1624 O ASP A 102 7.636 14.992 7.879 1.00 0.00 O ATOM 1625 CB ASP A 102 5.229 16.274 6.405 1.00 0.00 C ATOM 1626 CG ASP A 102 4.966 17.161 5.171 1.00 0.00 C ATOM 1627 OD1 ASP A 102 5.686 17.048 4.150 1.00 0.00 O ATOM 1628 OD2 ASP A 102 4.076 18.040 5.256 1.00 0.00 O ATOM 0 H ASP A 102 4.175 14.273 5.362 1.00 0.00 H new ATOM 0 HA ASP A 102 6.820 15.194 5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.273 16.015 6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.785 16.855 7.141 1.00 0.00 H new ATOM 1633 N ARG A 103 6.086 13.354 7.983 1.00 0.00 N ATOM 1634 CA ARG A 103 6.633 12.671 9.168 1.00 0.00 C ATOM 1635 C ARG A 103 8.083 12.218 8.979 1.00 0.00 C ATOM 1636 O ARG A 103 8.846 12.212 9.944 1.00 0.00 O ATOM 1637 CB ARG A 103 5.740 11.467 9.539 1.00 0.00 C ATOM 1638 CG ARG A 103 5.803 11.064 11.023 1.00 0.00 C ATOM 1639 CD ARG A 103 5.387 12.169 12.011 1.00 0.00 C ATOM 1640 NE ARG A 103 4.074 12.762 11.668 1.00 0.00 N ATOM 1641 CZ ARG A 103 3.646 13.976 11.965 1.00 0.00 C ATOM 1642 NH1 ARG A 103 4.329 14.787 12.723 1.00 0.00 N ATOM 1643 NH2 ARG A 103 2.507 14.406 11.500 1.00 0.00 N ATOM 0 H ARG A 103 5.230 12.924 7.633 1.00 0.00 H new ATOM 0 HA ARG A 103 6.636 13.396 9.982 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.707 11.703 9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.032 10.612 8.930 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.160 10.198 11.177 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.821 10.751 11.257 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.345 11.756 13.019 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.146 12.951 12.019 1.00 0.00 H new ATOM 0 HE ARG A 103 3.430 12.168 11.145 1.00 0.00 H new ATOM 0 HH11 ARG A 103 5.226 14.491 13.108 1.00 0.00 H new ATOM 0 HH12 ARG A 103 3.967 15.718 12.931 1.00 0.00 H new ATOM 0 HH21 ARG A 103 1.940 13.804 10.903 1.00 0.00 H new ATOM 0 HH22 ARG A 103 2.183 15.344 11.733 1.00 0.00 H new ATOM 1657 N GLU A 104 8.462 11.880 7.742 1.00 0.00 N ATOM 1658 CA GLU A 104 9.778 11.318 7.400 1.00 0.00 C ATOM 1659 C GLU A 104 10.504 12.114 6.299 1.00 0.00 C ATOM 1660 O GLU A 104 11.721 12.296 6.387 1.00 0.00 O ATOM 1661 CB GLU A 104 9.650 9.850 6.948 1.00 0.00 C ATOM 1662 CG GLU A 104 8.545 9.001 7.596 1.00 0.00 C ATOM 1663 CD GLU A 104 8.597 8.862 9.132 1.00 0.00 C ATOM 1664 OE1 GLU A 104 9.658 9.096 9.758 1.00 0.00 O ATOM 1665 OE2 GLU A 104 7.547 8.466 9.703 1.00 0.00 O ATOM 0 H GLU A 104 7.852 11.991 6.932 1.00 0.00 H new ATOM 0 HA GLU A 104 10.373 11.381 8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.491 9.843 5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.604 9.357 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.581 9.431 7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.583 8.002 7.161 1.00 0.00 H new ATOM 1672 N LYS A 105 9.764 12.609 5.289 1.00 0.00 N ATOM 1673 CA LYS A 105 10.242 13.433 4.156 1.00 0.00 C ATOM 1674 C LYS A 105 11.594 12.983 3.557 1.00 0.00 C ATOM 1675 O LYS A 105 12.507 13.780 3.344 1.00 0.00 O ATOM 1676 CB LYS A 105 10.180 14.918 4.574 1.00 0.00 C ATOM 1677 CG LYS A 105 10.101 15.875 3.373 1.00 0.00 C ATOM 1678 CD LYS A 105 9.998 17.336 3.841 1.00 0.00 C ATOM 1679 CE LYS A 105 10.013 18.332 2.673 1.00 0.00 C ATOM 1680 NZ LYS A 105 8.791 18.238 1.828 1.00 0.00 N ATOM 0 H LYS A 105 8.760 12.437 5.236 1.00 0.00 H new ATOM 0 HA LYS A 105 9.573 13.284 3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 105 9.312 15.074 5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 105 11.061 15.160 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.984 15.751 2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 105 9.236 15.624 2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 105 9.080 17.467 4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.827 17.558 4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.103 19.345 3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.893 18.150 2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.850 18.930 1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.717 17.280 1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.951 18.438 2.408 1.00 0.00 H new ATOM 1694 N GLU A 106 11.731 11.680 3.297 1.00 0.00 N ATOM 1695 CA GLU A 106 12.967 11.047 2.787 1.00 0.00 C ATOM 1696 C GLU A 106 13.399 11.504 1.376 1.00 0.00 C ATOM 1697 O GLU A 106 14.561 11.326 1.001 1.00 0.00 O ATOM 1698 CB GLU A 106 12.806 9.512 2.815 1.00 0.00 C ATOM 1699 CG GLU A 106 13.495 8.857 4.020 1.00 0.00 C ATOM 1700 CD GLU A 106 15.034 8.880 3.888 1.00 0.00 C ATOM 1701 OE1 GLU A 106 15.601 8.002 3.196 1.00 0.00 O ATOM 1702 OE2 GLU A 106 15.685 9.767 4.487 1.00 0.00 O ATOM 0 H GLU A 106 10.972 11.013 3.436 1.00 0.00 H new ATOM 0 HA GLU A 106 13.765 11.374 3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.745 9.264 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.217 9.093 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.201 9.376 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.155 7.826 4.116 1.00 0.00 H new ATOM 1709 N LEU A 107 12.492 12.091 0.586 1.00 0.00 N ATOM 1710 CA LEU A 107 12.753 12.598 -0.768 1.00 0.00 C ATOM 1711 C LEU A 107 13.572 13.908 -0.731 1.00 0.00 C ATOM 1712 O LEU A 107 13.038 15.011 -0.881 1.00 0.00 O ATOM 1713 CB LEU A 107 11.429 12.743 -1.556 1.00 0.00 C ATOM 1714 CG LEU A 107 10.798 11.454 -2.129 1.00 0.00 C ATOM 1715 CD1 LEU A 107 11.694 10.768 -3.164 1.00 0.00 C ATOM 1716 CD2 LEU A 107 10.426 10.423 -1.064 1.00 0.00 C ATOM 0 H LEU A 107 11.525 12.231 0.880 1.00 0.00 H new ATOM 0 HA LEU A 107 13.367 11.871 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 107 10.697 13.214 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 107 11.603 13.430 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 107 9.884 11.806 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 107 11.201 9.868 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 107 11.876 11.449 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 107 12.643 10.498 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 107 9.989 9.547 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.320 10.128 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 107 9.703 10.858 -0.374 1.00 0.00 H new ATOM 1728 N HIS A 108 14.889 13.779 -0.521 1.00 0.00 N ATOM 1729 CA HIS A 108 15.875 14.878 -0.529 1.00 0.00 C ATOM 1730 C HIS A 108 15.961 15.648 -1.868 1.00 0.00 C ATOM 1731 O HIS A 108 16.432 16.789 -1.895 1.00 0.00 O ATOM 1732 CB HIS A 108 17.245 14.297 -0.126 1.00 0.00 C ATOM 1733 CG HIS A 108 18.320 15.335 0.088 1.00 0.00 C ATOM 1734 ND1 HIS A 108 19.395 15.590 -0.748 1.00 0.00 N ATOM 1735 CD2 HIS A 108 18.404 16.198 1.146 1.00 0.00 C ATOM 1736 CE1 HIS A 108 20.117 16.593 -0.209 1.00 0.00 C ATOM 1737 NE2 HIS A 108 19.532 16.978 0.946 1.00 0.00 N ATOM 0 H HIS A 108 15.317 12.873 -0.333 1.00 0.00 H new ATOM 0 HA HIS A 108 15.543 15.627 0.190 1.00 0.00 H new ATOM 0 HB2 HIS A 108 17.126 13.719 0.791 1.00 0.00 H new ATOM 0 HB3 HIS A 108 17.574 13.603 -0.900 1.00 0.00 H new ATOM 0 HD2 HIS A 108 17.720 16.260 1.980 1.00 0.00 H new ATOM 0 HE1 HIS A 108 21.015 17.019 -0.631 1.00 0.00 H new ATOM 0 HE2 HIS A 108 19.864 17.717 1.566 1.00 0.00 H new ATOM 1746 N GLN A 109 15.495 15.043 -2.969 1.00 0.00 N ATOM 1747 CA GLN A 109 15.440 15.600 -4.333 1.00 0.00 C ATOM 1748 C GLN A 109 14.152 15.167 -5.053 1.00 0.00 C ATOM 1749 O GLN A 109 13.708 14.013 -4.858 1.00 0.00 O ATOM 1750 CB GLN A 109 16.714 15.179 -5.094 1.00 0.00 C ATOM 1751 CG GLN A 109 16.909 15.885 -6.452 1.00 0.00 C ATOM 1752 CD GLN A 109 16.430 15.070 -7.662 1.00 0.00 C ATOM 1753 OE1 GLN A 109 17.201 14.403 -8.344 1.00 0.00 O ATOM 1754 NE2 GLN A 109 15.158 15.095 -7.997 1.00 0.00 N ATOM 1755 OXT GLN A 109 13.608 15.989 -5.824 1.00 0.00 O ATOM 0 H GLN A 109 15.123 14.094 -2.932 1.00 0.00 H new ATOM 0 HA GLN A 109 15.410 16.689 -4.290 1.00 0.00 H new ATOM 0 HB2 GLN A 109 17.581 15.381 -4.465 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.684 14.102 -5.259 1.00 0.00 H new ATOM 0 HG2 GLN A 109 16.375 16.835 -6.434 1.00 0.00 H new ATOM 0 HG3 GLN A 109 17.967 16.116 -6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 109 14.496 15.642 -7.446 1.00 0.00 H new ATOM 0 HE22 GLN A 109 14.834 14.567 -8.807 1.00 0.00 H new TER 1764 GLN A 109