USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 693 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 14 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.144 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 7:sc= 0.64! USER MOD Single : A 8 ASN : amide:sc= 0.354 K(o=0.35,f=-2.6!) USER MOD Single : A 20 THR OG1 : rot 37:sc= 0.0809 USER MOD Single : A 21 CYS SG : rot 100:sc= -1.63 USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0611) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 30 GLN :FLIP amide:sc= -2.85 F(o=-3.5!,f=-2.8) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= -0.212 (180deg=-0.817) USER MOD Single : A 35 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.22) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= -0.0594 (180deg=-0.808) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -120:sc= -3.34! USER MOD Single : A 43 GLN : amide:sc= -0.34 K(o=-0.34,f=-1.3) USER MOD Single : A 44 ASN : amide:sc= -3.44! C(o=-3.4!,f=-14!) USER MOD Single : A 51 THR OG1 : rot 121:sc= 0.183 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.23! C(o=-2.2!,f=-2.9!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 100:sc= -1.51 USER MOD Single : A 65 LYS NZ :NH3+ -140:sc= 0.0922 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 66:sc= 0.00255 USER MOD Single : A 74 ASN : amide:sc=-0.00383 K(o=-0.0038,f=-1.4!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-1.7!) USER MOD Single : A 83 GLN : amide:sc= -0.0406 X(o=-0.041,f=-0.48) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 139:sc= -1.21 USER MOD Single : A 92 SER OG : rot 180:sc=-0.00856 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.113 6.279 -34.964 1.00 0.00 N ATOM 2 CA GLY A 1 -7.314 7.713 -35.049 1.00 0.00 C ATOM 3 C GLY A 1 -6.248 8.493 -34.305 1.00 0.00 C ATOM 4 O GLY A 1 -5.584 9.355 -34.882 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.867 5.791 -35.488 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.190 6.033 -35.376 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.137 5.984 -33.967 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.316 8.015 -36.096 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.294 7.964 -34.643 1.00 0.00 H new ATOM 8 N SER A 2 -6.084 8.192 -33.021 1.00 0.00 N ATOM 9 CA SER A 2 -5.095 8.875 -32.196 1.00 0.00 C ATOM 10 C SER A 2 -4.381 7.889 -31.277 1.00 0.00 C ATOM 11 O SER A 2 -4.845 6.768 -31.069 1.00 0.00 O ATOM 12 CB SER A 2 -5.763 9.972 -31.365 1.00 0.00 C ATOM 13 OG SER A 2 -6.457 9.422 -30.258 1.00 0.00 O ATOM 0 H SER A 2 -6.623 7.479 -32.529 1.00 0.00 H new ATOM 0 HA SER A 2 -4.357 9.329 -32.857 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.009 10.676 -31.012 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.456 10.535 -31.990 1.00 0.00 H new ATOM 0 HG SER A 2 -6.874 10.143 -29.742 1.00 0.00 H new ATOM 19 N SER A 3 -3.247 8.315 -30.729 1.00 0.00 N ATOM 20 CA SER A 3 -2.465 7.470 -29.835 1.00 0.00 C ATOM 21 C SER A 3 -3.295 7.041 -28.628 1.00 0.00 C ATOM 22 O SER A 3 -3.266 5.880 -28.222 1.00 0.00 O ATOM 23 CB SER A 3 -1.209 8.209 -29.368 1.00 0.00 C ATOM 24 OG SER A 3 -1.530 9.204 -28.411 1.00 0.00 O ATOM 0 H SER A 3 -2.850 9.241 -30.889 1.00 0.00 H new ATOM 0 HA SER A 3 -2.169 6.578 -30.386 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.504 7.498 -28.936 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.714 8.669 -30.224 1.00 0.00 H new ATOM 0 HG SER A 3 -0.711 9.661 -28.127 1.00 0.00 H new ATOM 30 N GLY A 4 -4.034 7.989 -28.059 1.00 0.00 N ATOM 31 CA GLY A 4 -4.861 7.691 -26.905 1.00 0.00 C ATOM 32 C GLY A 4 -5.524 8.928 -26.332 1.00 0.00 C ATOM 33 O GLY A 4 -5.724 9.917 -27.038 1.00 0.00 O ATOM 0 H GLY A 4 -4.074 8.957 -28.377 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.628 6.970 -27.188 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.249 7.221 -26.135 1.00 0.00 H new ATOM 37 N SER A 5 -5.869 8.873 -25.050 1.00 0.00 N ATOM 38 CA SER A 5 -6.519 9.996 -24.384 1.00 0.00 C ATOM 39 C SER A 5 -5.494 10.870 -23.668 1.00 0.00 C ATOM 40 O SER A 5 -4.463 10.383 -23.203 1.00 0.00 O ATOM 41 CB SER A 5 -7.561 9.490 -23.385 1.00 0.00 C ATOM 42 OG SER A 5 -6.947 9.052 -22.185 1.00 0.00 O ATOM 0 H SER A 5 -5.709 8.063 -24.451 1.00 0.00 H new ATOM 0 HA SER A 5 -7.017 10.598 -25.144 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.273 10.285 -23.164 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.126 8.670 -23.828 1.00 0.00 H new ATOM 0 HG SER A 5 -7.634 8.735 -21.563 1.00 0.00 H new ATOM 48 N SER A 6 -5.786 12.164 -23.583 1.00 0.00 N ATOM 49 CA SER A 6 -4.889 13.108 -22.927 1.00 0.00 C ATOM 50 C SER A 6 -5.174 13.178 -21.430 1.00 0.00 C ATOM 51 O SER A 6 -6.284 13.504 -21.012 1.00 0.00 O ATOM 52 CB SER A 6 -5.034 14.498 -23.550 1.00 0.00 C ATOM 53 OG SER A 6 -6.207 15.145 -23.088 1.00 0.00 O ATOM 0 H SER A 6 -6.636 12.582 -23.960 1.00 0.00 H new ATOM 0 HA SER A 6 -3.866 12.758 -23.069 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.161 15.103 -23.305 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.067 14.411 -24.636 1.00 0.00 H new ATOM 0 HG SER A 6 -6.624 14.604 -22.385 1.00 0.00 H new ATOM 59 N GLY A 7 -4.161 12.868 -20.626 1.00 0.00 N ATOM 60 CA GLY A 7 -4.321 12.900 -19.184 1.00 0.00 C ATOM 61 C GLY A 7 -3.865 14.214 -18.580 1.00 0.00 C ATOM 62 O GLY A 7 -3.898 15.252 -19.239 1.00 0.00 O ATOM 0 H GLY A 7 -3.232 12.595 -20.948 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.369 12.733 -18.934 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.753 12.083 -18.740 1.00 0.00 H new ATOM 66 N ASN A 8 -3.441 14.169 -17.321 1.00 0.00 N ATOM 67 CA ASN A 8 -2.980 15.365 -16.626 1.00 0.00 C ATOM 68 C ASN A 8 -1.666 15.866 -17.220 1.00 0.00 C ATOM 69 O ASN A 8 -0.729 15.093 -17.419 1.00 0.00 O ATOM 70 CB ASN A 8 -2.801 15.077 -15.134 1.00 0.00 C ATOM 71 CG ASN A 8 -3.938 14.251 -14.565 1.00 0.00 C ATOM 72 OD1 ASN A 8 -4.074 13.067 -14.872 1.00 0.00 O ATOM 73 ND2 ASN A 8 -4.762 14.875 -13.731 1.00 0.00 N ATOM 0 H ASN A 8 -3.407 13.317 -16.761 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.735 16.141 -16.751 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.860 14.550 -14.979 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.732 16.019 -14.590 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.546 14.371 -13.317 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.611 15.858 -13.505 1.00 0.00 H new ATOM 80 N ASP A 9 -1.606 17.163 -17.499 1.00 0.00 N ATOM 81 CA ASP A 9 -0.407 17.768 -18.068 1.00 0.00 C ATOM 82 C ASP A 9 0.738 17.757 -17.060 1.00 0.00 C ATOM 83 O ASP A 9 1.887 18.025 -17.408 1.00 0.00 O ATOM 84 CB ASP A 9 -0.696 19.202 -18.514 1.00 0.00 C ATOM 85 CG ASP A 9 -1.717 19.265 -19.633 1.00 0.00 C ATOM 86 OD1 ASP A 9 -1.416 18.771 -20.739 1.00 0.00 O ATOM 87 OD2 ASP A 9 -2.818 19.810 -19.403 1.00 0.00 O ATOM 0 H ASP A 9 -2.373 17.816 -17.341 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.109 17.179 -18.935 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.058 19.778 -17.663 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.231 19.670 -18.845 1.00 0.00 H new ATOM 92 N ALA A 10 0.415 17.446 -15.809 1.00 0.00 N ATOM 93 CA ALA A 10 1.416 17.399 -14.751 1.00 0.00 C ATOM 94 C ALA A 10 2.158 16.066 -14.755 1.00 0.00 C ATOM 95 O ALA A 10 1.541 15.001 -14.774 1.00 0.00 O ATOM 96 CB ALA A 10 0.765 17.637 -13.397 1.00 0.00 C ATOM 0 H ALA A 10 -0.532 17.223 -15.504 1.00 0.00 H new ATOM 0 HA ALA A 10 2.142 18.190 -14.938 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.525 17.599 -12.616 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.287 18.616 -13.390 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.017 16.866 -13.213 1.00 0.00 H new ATOM 102 N VAL A 11 3.486 16.133 -14.739 1.00 0.00 N ATOM 103 CA VAL A 11 4.312 14.932 -14.741 1.00 0.00 C ATOM 104 C VAL A 11 4.934 14.690 -13.370 1.00 0.00 C ATOM 105 O VAL A 11 5.206 13.550 -12.994 1.00 0.00 O ATOM 106 CB VAL A 11 5.434 15.024 -15.793 1.00 0.00 C ATOM 107 CG1 VAL A 11 6.303 13.777 -15.756 1.00 0.00 C ATOM 108 CG2 VAL A 11 4.847 15.234 -17.180 1.00 0.00 C ATOM 0 H VAL A 11 4.012 17.007 -14.725 1.00 0.00 H new ATOM 0 HA VAL A 11 3.657 14.098 -14.992 1.00 0.00 H new ATOM 0 HB VAL A 11 6.062 15.883 -15.556 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.090 13.860 -16.506 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.752 13.676 -14.768 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.691 12.900 -15.968 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.653 15.297 -17.911 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.195 14.397 -17.430 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.271 16.159 -17.195 1.00 0.00 H new ATOM 118 N ASP A 12 5.155 15.770 -12.629 1.00 0.00 N ATOM 119 CA ASP A 12 5.743 15.676 -11.298 1.00 0.00 C ATOM 120 C ASP A 12 4.688 15.300 -10.262 1.00 0.00 C ATOM 121 O ASP A 12 4.907 15.438 -9.059 1.00 0.00 O ATOM 122 CB ASP A 12 6.403 17.001 -10.914 1.00 0.00 C ATOM 123 CG ASP A 12 5.393 18.112 -10.707 1.00 0.00 C ATOM 124 OD1 ASP A 12 4.343 17.850 -10.084 1.00 0.00 O ATOM 125 OD2 ASP A 12 5.652 19.243 -11.168 1.00 0.00 O ATOM 0 H ASP A 12 4.936 16.720 -12.927 1.00 0.00 H new ATOM 0 HA ASP A 12 6.501 14.893 -11.318 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.981 16.864 -10.000 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.106 17.293 -11.694 1.00 0.00 H new ATOM 130 N PHE A 13 3.542 14.825 -10.739 1.00 0.00 N ATOM 131 CA PHE A 13 2.451 14.431 -9.855 1.00 0.00 C ATOM 132 C PHE A 13 1.566 13.379 -10.517 1.00 0.00 C ATOM 133 O PHE A 13 0.757 13.693 -11.390 1.00 0.00 O ATOM 134 CB PHE A 13 1.611 15.651 -9.471 1.00 0.00 C ATOM 135 CG PHE A 13 0.191 15.314 -9.119 1.00 0.00 C ATOM 136 CD1 PHE A 13 -0.093 14.469 -8.059 1.00 0.00 C ATOM 137 CD2 PHE A 13 -0.862 15.843 -9.849 1.00 0.00 C ATOM 138 CE1 PHE A 13 -1.399 14.157 -7.732 1.00 0.00 C ATOM 139 CE2 PHE A 13 -2.170 15.535 -9.527 1.00 0.00 C ATOM 140 CZ PHE A 13 -2.439 14.691 -8.468 1.00 0.00 C ATOM 0 H PHE A 13 3.345 14.704 -11.732 1.00 0.00 H new ATOM 0 HA PHE A 13 2.886 13.999 -8.954 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.078 16.151 -8.623 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.613 16.359 -10.300 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.716 14.049 -7.481 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.658 16.503 -10.679 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.606 13.497 -6.903 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.981 15.954 -10.103 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.461 14.449 -8.215 1.00 0.00 H new ATOM 150 N SER A 14 1.727 12.128 -10.096 1.00 0.00 N ATOM 151 CA SER A 14 0.947 11.029 -10.651 1.00 0.00 C ATOM 152 C SER A 14 -0.069 10.516 -9.635 1.00 0.00 C ATOM 153 O SER A 14 0.188 10.470 -8.431 1.00 0.00 O ATOM 154 CB SER A 14 1.871 9.889 -11.086 1.00 0.00 C ATOM 155 OG SER A 14 2.349 9.165 -9.965 1.00 0.00 O ATOM 0 H SER A 14 2.391 11.851 -9.373 1.00 0.00 H new ATOM 0 HA SER A 14 0.407 11.402 -11.521 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.334 9.217 -11.755 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.713 10.293 -11.648 1.00 0.00 H new ATOM 0 HG SER A 14 2.936 8.441 -10.269 1.00 0.00 H new ATOM 161 N PRO A 15 -1.251 10.121 -10.129 1.00 0.00 N ATOM 162 CA PRO A 15 -2.330 9.604 -9.282 1.00 0.00 C ATOM 163 C PRO A 15 -2.005 8.232 -8.701 1.00 0.00 C ATOM 164 O PRO A 15 -2.822 7.632 -8.003 1.00 0.00 O ATOM 165 CB PRO A 15 -3.520 9.510 -10.242 1.00 0.00 C ATOM 166 CG PRO A 15 -2.907 9.362 -11.591 1.00 0.00 C ATOM 167 CD PRO A 15 -1.626 10.148 -11.553 1.00 0.00 C ATOM 0 HA PRO A 15 -2.511 10.243 -8.417 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.157 8.659 -10.001 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.145 10.401 -10.187 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.715 8.314 -11.819 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.574 9.740 -12.366 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.858 9.695 -12.179 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.769 11.167 -11.912 1.00 0.00 H new ATOM 175 N THR A 16 -0.804 7.741 -8.993 1.00 0.00 N ATOM 176 CA THR A 16 -0.371 6.440 -8.500 1.00 0.00 C ATOM 177 C THR A 16 0.865 6.570 -7.617 1.00 0.00 C ATOM 178 O THR A 16 1.777 7.339 -7.918 1.00 0.00 O ATOM 179 CB THR A 16 -0.059 5.475 -9.660 1.00 0.00 C ATOM 180 OG1 THR A 16 0.959 6.031 -10.499 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.308 5.198 -10.483 1.00 0.00 C ATOM 0 H THR A 16 -0.115 8.225 -9.568 1.00 0.00 H new ATOM 0 HA THR A 16 -1.194 6.035 -7.911 1.00 0.00 H new ATOM 0 HB THR A 16 0.294 4.534 -9.237 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.153 5.411 -11.233 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.064 4.514 -11.296 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.070 4.748 -9.847 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.686 6.133 -10.896 1.00 0.00 H new ATOM 189 N LEU A 17 0.888 5.813 -6.525 1.00 0.00 N ATOM 190 CA LEU A 17 2.013 5.844 -5.597 1.00 0.00 C ATOM 191 C LEU A 17 2.437 4.431 -5.209 1.00 0.00 C ATOM 192 O LEU A 17 1.609 3.555 -4.959 1.00 0.00 O ATOM 193 CB LEU A 17 1.646 6.643 -4.344 1.00 0.00 C ATOM 194 CG LEU A 17 1.052 8.026 -4.610 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.553 8.650 -3.316 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.079 8.928 -5.277 1.00 0.00 C ATOM 0 H LEU A 17 0.141 5.171 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 17 2.851 6.330 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.932 6.064 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.540 6.760 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 17 0.204 7.912 -5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.134 9.634 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.216 8.013 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.383 8.750 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.639 9.908 -5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.947 9.035 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.389 8.488 -6.225 1.00 0.00 H new ATOM 208 N PRO A 18 3.758 4.204 -5.155 1.00 0.00 N ATOM 209 CA PRO A 18 4.322 2.899 -4.797 1.00 0.00 C ATOM 210 C PRO A 18 4.105 2.557 -3.327 1.00 0.00 C ATOM 211 O PRO A 18 4.618 3.237 -2.439 1.00 0.00 O ATOM 212 CB PRO A 18 5.815 3.065 -5.092 1.00 0.00 C ATOM 213 CG PRO A 18 6.063 4.529 -4.975 1.00 0.00 C ATOM 214 CD PRO A 18 4.802 5.202 -5.440 1.00 0.00 C ATOM 0 HA PRO A 18 3.852 2.086 -5.350 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.423 2.502 -4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.065 2.699 -6.088 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.295 4.804 -3.946 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.914 4.830 -5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.623 6.135 -4.905 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.845 5.447 -6.501 1.00 0.00 H new ATOM 222 N VAL A 19 3.341 1.498 -3.077 1.00 0.00 N ATOM 223 CA VAL A 19 3.057 1.064 -1.715 1.00 0.00 C ATOM 224 C VAL A 19 3.568 -0.351 -1.470 1.00 0.00 C ATOM 225 O VAL A 19 3.675 -1.154 -2.398 1.00 0.00 O ATOM 226 CB VAL A 19 1.547 1.113 -1.413 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.034 2.543 -1.483 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.783 0.216 -2.376 1.00 0.00 C ATOM 0 H VAL A 19 2.908 0.925 -3.801 1.00 0.00 H new ATOM 0 HA VAL A 19 3.576 1.754 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 19 1.384 0.744 -0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.034 2.557 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.561 3.155 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.207 2.943 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.282 0.262 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.951 0.554 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.132 -0.811 -2.271 1.00 0.00 H new ATOM 238 N THR A 20 3.882 -0.652 -0.214 1.00 0.00 N ATOM 239 CA THR A 20 4.383 -1.971 0.153 1.00 0.00 C ATOM 240 C THR A 20 3.997 -2.327 1.584 1.00 0.00 C ATOM 241 O THR A 20 4.232 -1.551 2.512 1.00 0.00 O ATOM 242 CB THR A 20 5.914 -2.050 0.012 1.00 0.00 C ATOM 243 OG1 THR A 20 6.527 -0.955 0.702 1.00 0.00 O ATOM 244 CG2 THR A 20 6.325 -2.027 -1.453 1.00 0.00 C ATOM 0 H THR A 20 3.798 -0.000 0.566 1.00 0.00 H new ATOM 0 HA THR A 20 3.925 -2.684 -0.532 1.00 0.00 H new ATOM 0 HB THR A 20 6.249 -2.989 0.452 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.028 -0.766 1.524 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.411 -2.084 -1.527 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.881 -2.878 -1.969 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.978 -1.102 -1.914 1.00 0.00 H new ATOM 252 N CYS A 21 3.404 -3.503 1.757 1.00 0.00 N ATOM 253 CA CYS A 21 2.985 -3.961 3.077 1.00 0.00 C ATOM 254 C CYS A 21 3.534 -5.354 3.369 1.00 0.00 C ATOM 255 O CYS A 21 3.018 -6.353 2.868 1.00 0.00 O ATOM 256 CB CYS A 21 1.459 -3.970 3.176 1.00 0.00 C ATOM 257 SG CYS A 21 0.828 -4.375 4.821 1.00 0.00 S ATOM 0 H CYS A 21 3.203 -4.156 1.000 1.00 0.00 H new ATOM 0 HA CYS A 21 3.386 -3.270 3.818 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.081 -2.990 2.885 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.063 -4.690 2.460 1.00 0.00 H new ATOM 0 HG CYS A 21 0.491 -3.281 5.438 1.00 0.00 H new ATOM 263 N GLY A 22 4.585 -5.412 4.181 1.00 0.00 N ATOM 264 CA GLY A 22 5.188 -6.687 4.523 1.00 0.00 C ATOM 265 C GLY A 22 5.597 -7.482 3.299 1.00 0.00 C ATOM 266 O GLY A 22 6.556 -7.131 2.613 1.00 0.00 O ATOM 0 H GLY A 22 5.029 -4.599 4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.063 -6.515 5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.483 -7.272 5.114 1.00 0.00 H new ATOM 270 N LYS A 23 4.868 -8.559 3.025 1.00 0.00 N ATOM 271 CA LYS A 23 5.159 -9.408 1.876 1.00 0.00 C ATOM 272 C LYS A 23 4.272 -9.042 0.690 1.00 0.00 C ATOM 273 O LYS A 23 4.133 -9.818 -0.255 1.00 0.00 O ATOM 274 CB LYS A 23 4.960 -10.881 2.240 1.00 0.00 C ATOM 275 CG LYS A 23 5.551 -11.260 3.587 1.00 0.00 C ATOM 276 CD LYS A 23 7.069 -11.194 3.568 1.00 0.00 C ATOM 277 CE LYS A 23 7.651 -11.340 4.965 1.00 0.00 C ATOM 278 NZ LYS A 23 7.442 -10.114 5.784 1.00 0.00 N ATOM 0 H LYS A 23 4.071 -8.864 3.584 1.00 0.00 H new ATOM 0 HA LYS A 23 6.199 -9.248 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.893 -11.104 2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.412 -11.502 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.166 -10.590 4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.233 -12.268 3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.460 -11.983 2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.388 -10.245 3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.190 -12.193 5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.718 -11.552 4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.994 -10.185 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.753 -9.280 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.433 -10.020 6.017 1.00 0.00 H new ATOM 292 N ALA A 24 3.676 -7.856 0.747 1.00 0.00 N ATOM 293 CA ALA A 24 2.805 -7.387 -0.324 1.00 0.00 C ATOM 294 C ALA A 24 3.352 -6.111 -0.956 1.00 0.00 C ATOM 295 O ALA A 24 3.883 -5.241 -0.265 1.00 0.00 O ATOM 296 CB ALA A 24 1.397 -7.155 0.204 1.00 0.00 C ATOM 0 H ALA A 24 3.780 -7.202 1.523 1.00 0.00 H new ATOM 0 HA ALA A 24 2.770 -8.157 -1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.758 -6.805 -0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.000 -8.088 0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.424 -6.405 0.995 1.00 0.00 H new ATOM 302 N LYS A 25 3.220 -6.006 -2.274 1.00 0.00 N ATOM 303 CA LYS A 25 3.700 -4.837 -3.001 1.00 0.00 C ATOM 304 C LYS A 25 2.755 -4.481 -4.144 1.00 0.00 C ATOM 305 O LYS A 25 2.315 -5.353 -4.892 1.00 0.00 O ATOM 306 CB LYS A 25 5.106 -5.093 -3.548 1.00 0.00 C ATOM 307 CG LYS A 25 6.098 -5.542 -2.489 1.00 0.00 C ATOM 308 CD LYS A 25 7.522 -5.533 -3.019 1.00 0.00 C ATOM 309 CE LYS A 25 7.821 -6.782 -3.834 1.00 0.00 C ATOM 310 NZ LYS A 25 8.220 -7.926 -2.968 1.00 0.00 N ATOM 0 H LYS A 25 2.784 -6.717 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 25 3.734 -3.997 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.051 -5.853 -4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.476 -4.181 -4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.028 -4.886 -1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.841 -6.546 -2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.676 -4.648 -3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.221 -5.465 -2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.940 -7.056 -4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.619 -6.569 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.415 -8.758 -3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.075 -7.674 -2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.449 -8.146 -2.306 1.00 0.00 H new ATOM 324 N GLY A 26 2.448 -3.194 -4.274 1.00 0.00 N ATOM 325 CA GLY A 26 1.558 -2.746 -5.330 1.00 0.00 C ATOM 326 C GLY A 26 1.651 -1.253 -5.572 1.00 0.00 C ATOM 327 O GLY A 26 2.730 -0.666 -5.474 1.00 0.00 O ATOM 0 H GLY A 26 2.800 -2.453 -3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.797 -3.276 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.532 -3.006 -5.070 1.00 0.00 H new ATOM 331 N THR A 27 0.518 -0.635 -5.891 1.00 0.00 N ATOM 332 CA THR A 27 0.477 0.799 -6.151 1.00 0.00 C ATOM 333 C THR A 27 -0.899 1.375 -5.836 1.00 0.00 C ATOM 334 O THR A 27 -1.916 0.877 -6.318 1.00 0.00 O ATOM 335 CB THR A 27 0.830 1.114 -7.617 1.00 0.00 C ATOM 336 OG1 THR A 27 2.158 0.666 -7.908 1.00 0.00 O ATOM 337 CG2 THR A 27 0.720 2.607 -7.891 1.00 0.00 C ATOM 0 H THR A 27 -0.383 -1.105 -5.976 1.00 0.00 H new ATOM 0 HA THR A 27 1.219 1.260 -5.499 1.00 0.00 H new ATOM 0 HB THR A 27 0.122 0.590 -8.259 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.374 0.868 -8.842 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.974 2.805 -8.932 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.300 2.938 -7.697 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.407 3.148 -7.241 1.00 0.00 H new ATOM 345 N LEU A 28 -0.923 2.427 -5.026 1.00 0.00 N ATOM 346 CA LEU A 28 -2.175 3.072 -4.647 1.00 0.00 C ATOM 347 C LEU A 28 -2.590 4.109 -5.686 1.00 0.00 C ATOM 348 O LEU A 28 -1.781 4.931 -6.116 1.00 0.00 O ATOM 349 CB LEU A 28 -2.036 3.736 -3.275 1.00 0.00 C ATOM 350 CG LEU A 28 -3.147 4.723 -2.917 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.284 4.011 -2.202 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.600 5.853 -2.058 1.00 0.00 C ATOM 0 H LEU A 28 -0.090 2.852 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.948 2.305 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.004 2.957 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.080 4.259 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.537 5.151 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.065 4.730 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.694 3.238 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.909 3.554 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.405 6.546 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.182 5.442 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.820 6.382 -2.606 1.00 0.00 H new ATOM 364 N PHE A 29 -3.856 4.062 -6.086 1.00 0.00 N ATOM 365 CA PHE A 29 -4.379 4.996 -7.077 1.00 0.00 C ATOM 366 C PHE A 29 -5.358 5.975 -6.437 1.00 0.00 C ATOM 367 O PHE A 29 -6.512 5.634 -6.177 1.00 0.00 O ATOM 368 CB PHE A 29 -5.069 4.235 -8.211 1.00 0.00 C ATOM 369 CG PHE A 29 -4.124 3.421 -9.049 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.314 2.460 -8.466 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.047 3.617 -10.418 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.443 1.710 -9.234 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.178 2.869 -11.191 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.376 1.914 -10.598 1.00 0.00 C ATOM 0 H PHE A 29 -4.539 3.388 -5.740 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.541 5.562 -7.485 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.826 3.575 -7.787 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.589 4.947 -8.852 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.364 2.295 -7.400 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.673 4.362 -10.887 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.815 0.965 -8.768 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.127 3.032 -12.257 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.698 1.328 -11.200 1.00 0.00 H new ATOM 384 N GLN A 30 -4.889 7.193 -6.186 1.00 0.00 N ATOM 385 CA GLN A 30 -5.723 8.222 -5.575 1.00 0.00 C ATOM 386 C GLN A 30 -7.116 8.232 -6.195 1.00 0.00 C ATOM 387 O GLN A 30 -8.114 8.414 -5.498 1.00 0.00 O ATOM 388 CB GLN A 30 -5.071 9.597 -5.733 1.00 0.00 C ATOM 389 CG GLN A 30 -3.556 9.570 -5.606 1.00 0.00 C ATOM 390 CD GLN A 30 -2.976 10.926 -5.254 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.498 11.063 -4.023 1.00 0.00 O flip ATOM 392 NE2 GLN A 30 -2.958 11.840 -6.079 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.937 7.492 -6.396 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.819 7.994 -4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.338 10.007 -6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.478 10.272 -4.980 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.272 8.848 -4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.122 9.226 -6.545 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.336 11.690 -7.014 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.565 12.747 -5.827 1.00 0.00 H new ATOM 401 N GLU A 31 -7.175 8.037 -7.509 1.00 0.00 N ATOM 402 CA GLU A 31 -8.447 8.025 -8.222 1.00 0.00 C ATOM 403 C GLU A 31 -9.351 6.909 -7.705 1.00 0.00 C ATOM 404 O GLU A 31 -10.545 7.112 -7.486 1.00 0.00 O ATOM 405 CB GLU A 31 -8.213 7.852 -9.724 1.00 0.00 C ATOM 406 CG GLU A 31 -9.426 7.323 -10.472 1.00 0.00 C ATOM 407 CD GLU A 31 -9.479 7.803 -11.910 1.00 0.00 C ATOM 408 OE1 GLU A 31 -9.555 9.031 -12.122 1.00 0.00 O ATOM 409 OE2 GLU A 31 -9.446 6.951 -12.821 1.00 0.00 O ATOM 0 H GLU A 31 -6.358 7.885 -8.100 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.942 8.980 -8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.924 8.812 -10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.377 7.170 -9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.411 6.233 -10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.333 7.636 -9.954 1.00 0.00 H new ATOM 416 N LYS A 32 -8.772 5.729 -7.512 1.00 0.00 N ATOM 417 CA LYS A 32 -9.522 4.579 -7.021 1.00 0.00 C ATOM 418 C LYS A 32 -9.670 4.634 -5.503 1.00 0.00 C ATOM 419 O LYS A 32 -10.442 3.876 -4.917 1.00 0.00 O ATOM 420 CB LYS A 32 -8.827 3.278 -7.429 1.00 0.00 C ATOM 421 CG LYS A 32 -9.238 2.774 -8.801 1.00 0.00 C ATOM 422 CD LYS A 32 -8.128 1.966 -9.454 1.00 0.00 C ATOM 423 CE LYS A 32 -8.459 1.631 -10.900 1.00 0.00 C ATOM 424 NZ LYS A 32 -8.221 2.788 -11.806 1.00 0.00 N ATOM 0 H LYS A 32 -7.785 5.544 -7.688 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.516 4.608 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.748 3.433 -7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.048 2.510 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.133 2.158 -8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.497 3.620 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.195 2.529 -9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.969 1.045 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.853 0.785 -11.225 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.502 1.322 -10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.458 2.519 -12.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.818 3.587 -11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.220 3.067 -11.757 1.00 0.00 H new ATOM 438 N LEU A 33 -8.927 5.538 -4.874 1.00 0.00 N ATOM 439 CA LEU A 33 -8.977 5.693 -3.424 1.00 0.00 C ATOM 440 C LEU A 33 -10.050 6.698 -3.021 1.00 0.00 C ATOM 441 O LEU A 33 -10.691 6.557 -1.980 1.00 0.00 O ATOM 442 CB LEU A 33 -7.614 6.142 -2.892 1.00 0.00 C ATOM 443 CG LEU A 33 -7.462 6.085 -1.372 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.596 4.653 -0.875 1.00 0.00 C ATOM 445 CD2 LEU A 33 -6.126 6.675 -0.947 1.00 0.00 C ATOM 0 H LEU A 33 -8.283 6.174 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.229 4.726 -2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.842 5.519 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.431 7.165 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.258 6.680 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.485 4.632 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.577 4.264 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.822 4.036 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.035 6.626 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.316 6.108 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.068 7.715 -1.269 1.00 0.00 H new ATOM 457 N LYS A 34 -10.241 7.716 -3.854 1.00 0.00 N ATOM 458 CA LYS A 34 -11.238 8.747 -3.587 1.00 0.00 C ATOM 459 C LYS A 34 -12.587 8.123 -3.244 1.00 0.00 C ATOM 460 O LYS A 34 -13.238 8.524 -2.280 1.00 0.00 O ATOM 461 CB LYS A 34 -11.384 9.670 -4.799 1.00 0.00 C ATOM 462 CG LYS A 34 -10.259 10.681 -4.932 1.00 0.00 C ATOM 463 CD LYS A 34 -10.652 11.836 -5.838 1.00 0.00 C ATOM 464 CE LYS A 34 -9.440 12.433 -6.538 1.00 0.00 C ATOM 465 NZ LYS A 34 -8.890 11.515 -7.574 1.00 0.00 N ATOM 0 H LYS A 34 -9.718 7.849 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.900 9.332 -2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.425 9.064 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.333 10.202 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.994 11.064 -3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.372 10.189 -5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.369 11.489 -6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.151 12.607 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.718 13.379 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.667 12.654 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.337 12.062 -8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.277 10.808 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.672 11.033 -8.062 1.00 0.00 H new ATOM 479 N GLN A 35 -12.999 7.141 -4.039 1.00 0.00 N ATOM 480 CA GLN A 35 -14.271 6.462 -3.818 1.00 0.00 C ATOM 481 C GLN A 35 -14.403 6.014 -2.366 1.00 0.00 C ATOM 482 O GLN A 35 -15.380 6.340 -1.692 1.00 0.00 O ATOM 483 CB GLN A 35 -14.398 5.256 -4.750 1.00 0.00 C ATOM 484 CG GLN A 35 -14.150 5.589 -6.212 1.00 0.00 C ATOM 485 CD GLN A 35 -14.668 6.961 -6.595 1.00 0.00 C ATOM 486 OE1 GLN A 35 -15.876 7.172 -6.705 1.00 0.00 O ATOM 487 NE2 GLN A 35 -13.755 7.903 -6.800 1.00 0.00 N ATOM 0 H GLN A 35 -12.471 6.798 -4.841 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.073 7.167 -4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.691 4.488 -4.436 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.396 4.831 -4.647 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.080 5.539 -6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.629 4.836 -6.838 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.764 7.684 -6.698 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.045 8.846 -7.060 1.00 0.00 H new ATOM 496 N GLY A 36 -13.413 5.265 -1.890 1.00 0.00 N ATOM 497 CA GLY A 36 -13.439 4.784 -0.521 1.00 0.00 C ATOM 498 C GLY A 36 -12.241 3.917 -0.189 1.00 0.00 C ATOM 499 O GLY A 36 -11.619 3.338 -1.079 1.00 0.00 O ATOM 0 H GLY A 36 -12.594 4.983 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.468 5.635 0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.353 4.214 -0.357 1.00 0.00 H new ATOM 503 N ALA A 37 -11.915 3.830 1.097 1.00 0.00 N ATOM 504 CA ALA A 37 -10.783 3.028 1.545 1.00 0.00 C ATOM 505 C ALA A 37 -11.154 1.551 1.626 1.00 0.00 C ATOM 506 O ALA A 37 -10.441 0.754 2.235 1.00 0.00 O ATOM 507 CB ALA A 37 -10.286 3.524 2.895 1.00 0.00 C ATOM 0 H ALA A 37 -12.419 4.305 1.846 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.982 3.135 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.441 2.916 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.972 4.564 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.088 3.448 3.629 1.00 0.00 H new ATOM 513 N SER A 38 -12.275 1.193 1.008 1.00 0.00 N ATOM 514 CA SER A 38 -12.744 -0.188 1.014 1.00 0.00 C ATOM 515 C SER A 38 -12.657 -0.798 -0.382 1.00 0.00 C ATOM 516 O SER A 38 -12.727 -2.016 -0.546 1.00 0.00 O ATOM 517 CB SER A 38 -14.184 -0.258 1.525 1.00 0.00 C ATOM 518 OG SER A 38 -14.220 -0.371 2.937 1.00 0.00 O ATOM 0 H SER A 38 -12.875 1.840 0.497 1.00 0.00 H new ATOM 0 HA SER A 38 -12.101 -0.761 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.727 0.635 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.691 -1.112 1.076 1.00 0.00 H new ATOM 0 HG SER A 38 -15.152 -0.412 3.238 1.00 0.00 H new ATOM 524 N LYS A 39 -12.503 0.059 -1.386 1.00 0.00 N ATOM 525 CA LYS A 39 -12.405 -0.393 -2.769 1.00 0.00 C ATOM 526 C LYS A 39 -10.968 -0.768 -3.118 1.00 0.00 C ATOM 527 O LYS A 39 -10.022 -0.304 -2.482 1.00 0.00 O ATOM 528 CB LYS A 39 -12.903 0.698 -3.719 1.00 0.00 C ATOM 529 CG LYS A 39 -14.300 1.198 -3.393 1.00 0.00 C ATOM 530 CD LYS A 39 -15.367 0.243 -3.904 1.00 0.00 C ATOM 531 CE LYS A 39 -15.813 0.608 -5.312 1.00 0.00 C ATOM 532 NZ LYS A 39 -14.958 -0.035 -6.348 1.00 0.00 N ATOM 0 H LYS A 39 -12.443 1.070 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.031 -1.278 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.209 1.538 -3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.893 0.313 -4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.403 1.316 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.448 2.182 -3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.979 -0.776 -3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.226 0.262 -3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.849 0.302 -5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.780 1.691 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.497 -0.130 -7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.116 0.552 -6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.664 -0.977 -6.019 1.00 0.00 H new ATOM 546 N LYS A 40 -10.812 -1.611 -4.133 1.00 0.00 N ATOM 547 CA LYS A 40 -9.491 -2.047 -4.570 1.00 0.00 C ATOM 548 C LYS A 40 -8.753 -0.919 -5.281 1.00 0.00 C ATOM 549 O LYS A 40 -9.071 -0.578 -6.421 1.00 0.00 O ATOM 550 CB LYS A 40 -9.612 -3.257 -5.499 1.00 0.00 C ATOM 551 CG LYS A 40 -10.566 -4.324 -4.988 1.00 0.00 C ATOM 552 CD LYS A 40 -9.829 -5.410 -4.222 1.00 0.00 C ATOM 553 CE LYS A 40 -10.661 -6.679 -4.116 1.00 0.00 C ATOM 554 NZ LYS A 40 -10.512 -7.542 -5.319 1.00 0.00 N ATOM 0 H LYS A 40 -11.585 -2.006 -4.669 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.919 -2.331 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.949 -2.920 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.625 -3.699 -5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.314 -3.865 -4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.100 -4.768 -5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.886 -5.633 -4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.584 -5.050 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.360 -7.237 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.711 -6.415 -3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.095 -8.396 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.823 -7.019 -6.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.515 -7.815 -5.429 1.00 0.00 H new ATOM 568 N CYS A 41 -7.765 -0.344 -4.603 1.00 0.00 N ATOM 569 CA CYS A 41 -6.981 0.747 -5.172 1.00 0.00 C ATOM 570 C CYS A 41 -5.513 0.352 -5.299 1.00 0.00 C ATOM 571 O CYS A 41 -4.795 0.866 -6.157 1.00 0.00 O ATOM 572 CB CYS A 41 -7.111 2.001 -4.307 1.00 0.00 C ATOM 573 SG CYS A 41 -6.712 1.740 -2.563 1.00 0.00 S ATOM 0 H CYS A 41 -7.488 -0.615 -3.659 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.369 0.960 -6.168 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.455 2.775 -4.707 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.131 2.377 -4.383 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.748 2.029 -1.833 1.00 0.00 H new ATOM 579 N ILE A 42 -5.075 -0.562 -4.440 1.00 0.00 N ATOM 580 CA ILE A 42 -3.693 -1.025 -4.457 1.00 0.00 C ATOM 581 C ILE A 42 -3.508 -2.167 -5.449 1.00 0.00 C ATOM 582 O ILE A 42 -3.926 -3.297 -5.194 1.00 0.00 O ATOM 583 CB ILE A 42 -3.240 -1.493 -3.061 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.481 -0.392 -2.026 1.00 0.00 C ATOM 585 CG2 ILE A 42 -1.771 -1.890 -3.087 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.616 -0.911 -0.612 1.00 0.00 C ATOM 0 H ILE A 42 -5.657 -0.996 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.080 -0.178 -4.764 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.828 -2.366 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.656 0.320 -2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.386 0.154 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.465 -2.218 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.626 -2.703 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.168 -1.033 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.785 -0.076 0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.459 -1.600 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.702 -1.432 -0.327 1.00 0.00 H new ATOM 598 N GLN A 43 -2.878 -1.866 -6.580 1.00 0.00 N ATOM 599 CA GLN A 43 -2.636 -2.869 -7.610 1.00 0.00 C ATOM 600 C GLN A 43 -1.252 -3.490 -7.451 1.00 0.00 C ATOM 601 O GLN A 43 -0.236 -2.813 -7.603 1.00 0.00 O ATOM 602 CB GLN A 43 -2.771 -2.245 -9.000 1.00 0.00 C ATOM 603 CG GLN A 43 -3.063 -3.258 -10.096 1.00 0.00 C ATOM 604 CD GLN A 43 -2.931 -2.668 -11.486 1.00 0.00 C ATOM 605 OE1 GLN A 43 -2.011 -1.897 -11.761 1.00 0.00 O ATOM 606 NE2 GLN A 43 -3.852 -3.028 -12.372 1.00 0.00 N ATOM 0 H GLN A 43 -2.526 -0.936 -6.806 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.382 -3.656 -7.498 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.569 -1.503 -8.980 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.850 -1.715 -9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.380 -4.102 -9.997 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.072 -3.648 -9.965 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.597 -3.670 -12.101 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.814 -2.663 -13.324 1.00 0.00 H new ATOM 615 N ASN A 44 -1.222 -4.783 -7.143 1.00 0.00 N ATOM 616 CA ASN A 44 0.038 -5.496 -6.963 1.00 0.00 C ATOM 617 C ASN A 44 0.751 -5.687 -8.298 1.00 0.00 C ATOM 618 O ASN A 44 0.243 -5.291 -9.346 1.00 0.00 O ATOM 619 CB ASN A 44 -0.211 -6.855 -6.305 1.00 0.00 C ATOM 620 CG ASN A 44 -0.620 -7.916 -7.308 1.00 0.00 C ATOM 621 OD1 ASN A 44 0.082 -8.910 -7.497 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.760 -7.709 -7.957 1.00 0.00 N ATOM 0 H ASN A 44 -2.055 -5.358 -7.013 1.00 0.00 H new ATOM 0 HA ASN A 44 0.676 -4.897 -6.314 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.693 -7.177 -5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.990 -6.753 -5.550 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.086 -8.388 -8.644 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.309 -6.871 -7.768 1.00 0.00 H new ATOM 629 N GLU A 45 1.931 -6.298 -8.250 1.00 0.00 N ATOM 630 CA GLU A 45 2.714 -6.541 -9.456 1.00 0.00 C ATOM 631 C GLU A 45 1.942 -7.418 -10.437 1.00 0.00 C ATOM 632 O GLU A 45 2.157 -7.351 -11.647 1.00 0.00 O ATOM 633 CB GLU A 45 4.046 -7.205 -9.101 1.00 0.00 C ATOM 634 CG GLU A 45 4.872 -6.415 -8.100 1.00 0.00 C ATOM 635 CD GLU A 45 5.761 -5.381 -8.765 1.00 0.00 C ATOM 636 OE1 GLU A 45 6.563 -5.765 -9.642 1.00 0.00 O ATOM 637 OE2 GLU A 45 5.654 -4.189 -8.409 1.00 0.00 O ATOM 0 H GLU A 45 2.365 -6.633 -7.390 1.00 0.00 H new ATOM 0 HA GLU A 45 2.911 -5.580 -9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.851 -8.198 -8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.628 -7.342 -10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.205 -5.917 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.490 -7.102 -7.522 1.00 0.00 H new ATOM 644 N ALA A 46 1.042 -8.240 -9.907 1.00 0.00 N ATOM 645 CA ALA A 46 0.237 -9.129 -10.735 1.00 0.00 C ATOM 646 C ALA A 46 -0.865 -8.360 -11.455 1.00 0.00 C ATOM 647 O ALA A 46 -1.675 -8.944 -12.173 1.00 0.00 O ATOM 648 CB ALA A 46 -0.360 -10.243 -9.887 1.00 0.00 C ATOM 0 H ALA A 46 0.852 -8.308 -8.907 1.00 0.00 H new ATOM 0 HA ALA A 46 0.887 -9.571 -11.490 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.959 -10.900 -10.518 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.442 -10.817 -9.424 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.992 -9.811 -9.111 1.00 0.00 H new ATOM 654 N GLY A 47 -0.889 -7.046 -11.257 1.00 0.00 N ATOM 655 CA GLY A 47 -1.897 -6.218 -11.894 1.00 0.00 C ATOM 656 C GLY A 47 -3.219 -6.240 -11.152 1.00 0.00 C ATOM 657 O GLY A 47 -4.053 -5.352 -11.330 1.00 0.00 O ATOM 0 H GLY A 47 -0.229 -6.540 -10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.535 -5.192 -11.954 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.052 -6.562 -12.917 1.00 0.00 H new ATOM 661 N ASP A 48 -3.412 -7.257 -10.320 1.00 0.00 N ATOM 662 CA ASP A 48 -4.642 -7.392 -9.549 1.00 0.00 C ATOM 663 C ASP A 48 -4.743 -6.297 -8.491 1.00 0.00 C ATOM 664 O ASP A 48 -3.742 -5.910 -7.887 1.00 0.00 O ATOM 665 CB ASP A 48 -4.704 -8.768 -8.884 1.00 0.00 C ATOM 666 CG ASP A 48 -6.127 -9.261 -8.707 1.00 0.00 C ATOM 667 OD1 ASP A 48 -6.934 -8.535 -8.090 1.00 0.00 O ATOM 668 OD2 ASP A 48 -6.433 -10.374 -9.184 1.00 0.00 O ATOM 0 H ASP A 48 -2.732 -8.001 -10.162 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.484 -7.290 -10.234 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.146 -9.485 -9.486 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.215 -8.721 -7.911 1.00 0.00 H new ATOM 673 N TRP A 49 -5.956 -5.802 -8.275 1.00 0.00 N ATOM 674 CA TRP A 49 -6.187 -4.750 -7.291 1.00 0.00 C ATOM 675 C TRP A 49 -6.554 -5.344 -5.935 1.00 0.00 C ATOM 676 O TRP A 49 -7.223 -6.373 -5.859 1.00 0.00 O ATOM 677 CB TRP A 49 -7.296 -3.811 -7.768 1.00 0.00 C ATOM 678 CG TRP A 49 -7.000 -3.163 -9.086 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.173 -3.709 -10.325 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.476 -1.847 -9.295 1.00 0.00 C ATOM 681 NE1 TRP A 49 -6.789 -2.812 -11.293 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.358 -1.661 -10.686 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.097 -0.806 -8.442 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -5.876 -0.479 -11.241 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.619 0.367 -8.995 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.513 0.523 -10.383 1.00 0.00 C ATOM 0 H TRP A 49 -6.794 -6.111 -8.767 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.263 -4.182 -7.180 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.227 -4.372 -7.848 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.454 -3.036 -7.018 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.556 -4.701 -10.517 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.820 -2.976 -12.299 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.176 -0.916 -7.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.792 -0.357 -12.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.322 1.177 -8.346 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.137 1.453 -10.784 1.00 0.00 H new ATOM 697 N LEU A 50 -6.111 -4.688 -4.867 1.00 0.00 N ATOM 698 CA LEU A 50 -6.394 -5.152 -3.514 1.00 0.00 C ATOM 699 C LEU A 50 -6.960 -4.023 -2.659 1.00 0.00 C ATOM 700 O LEU A 50 -6.497 -2.884 -2.728 1.00 0.00 O ATOM 701 CB LEU A 50 -5.124 -5.710 -2.868 1.00 0.00 C ATOM 702 CG LEU A 50 -4.413 -6.798 -3.673 1.00 0.00 C ATOM 703 CD1 LEU A 50 -5.411 -7.828 -4.177 1.00 0.00 C ATOM 704 CD2 LEU A 50 -3.645 -6.185 -4.834 1.00 0.00 C ATOM 0 H LEU A 50 -5.555 -3.834 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.140 -5.944 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.428 -4.888 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.380 -6.113 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.702 -7.302 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.886 -8.594 -4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.917 -8.290 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.147 -7.340 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.145 -6.974 -5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.337 -5.655 -5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.902 -5.486 -4.450 1.00 0.00 H new ATOM 716 N THR A 51 -7.966 -4.346 -1.852 1.00 0.00 N ATOM 717 CA THR A 51 -8.597 -3.360 -0.984 1.00 0.00 C ATOM 718 C THR A 51 -7.660 -2.939 0.142 1.00 0.00 C ATOM 719 O THR A 51 -6.889 -3.748 0.656 1.00 0.00 O ATOM 720 CB THR A 51 -9.904 -3.903 -0.374 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.635 -5.088 0.383 1.00 0.00 O ATOM 722 CG2 THR A 51 -10.922 -4.210 -1.462 1.00 0.00 C ATOM 0 H THR A 51 -8.361 -5.284 -1.782 1.00 0.00 H new ATOM 0 HA THR A 51 -8.827 -2.494 -1.604 1.00 0.00 H new ATOM 0 HB THR A 51 -10.318 -3.138 0.283 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.915 -4.953 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.836 -4.592 -1.008 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.146 -3.300 -2.018 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.514 -4.959 -2.141 1.00 0.00 H new ATOM 730 N VAL A 52 -7.733 -1.667 0.522 1.00 0.00 N ATOM 731 CA VAL A 52 -6.892 -1.139 1.589 1.00 0.00 C ATOM 732 C VAL A 52 -6.632 -2.194 2.658 1.00 0.00 C ATOM 733 O VAL A 52 -5.567 -2.221 3.274 1.00 0.00 O ATOM 734 CB VAL A 52 -7.532 0.097 2.249 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.686 0.577 3.418 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.722 1.208 1.226 1.00 0.00 C ATOM 0 H VAL A 52 -8.366 -0.984 0.107 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.946 -0.849 1.131 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.512 -0.184 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.154 1.451 3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.606 -0.218 4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.691 0.843 3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.175 2.074 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.754 1.489 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.373 0.858 0.425 1.00 0.00 H new ATOM 746 N LYS A 53 -7.613 -3.064 2.872 1.00 0.00 N ATOM 747 CA LYS A 53 -7.492 -4.125 3.866 1.00 0.00 C ATOM 748 C LYS A 53 -6.812 -5.353 3.270 1.00 0.00 C ATOM 749 O LYS A 53 -5.866 -5.890 3.845 1.00 0.00 O ATOM 750 CB LYS A 53 -8.872 -4.505 4.407 1.00 0.00 C ATOM 751 CG LYS A 53 -8.839 -5.068 5.817 1.00 0.00 C ATOM 752 CD LYS A 53 -8.671 -3.969 6.852 1.00 0.00 C ATOM 753 CE LYS A 53 -9.991 -3.268 7.139 1.00 0.00 C ATOM 754 NZ LYS A 53 -9.849 -2.230 8.198 1.00 0.00 N ATOM 0 H LYS A 53 -8.501 -3.056 2.370 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.877 -3.753 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.514 -3.624 4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.324 -5.241 3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.761 -5.616 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.020 -5.781 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.275 -4.394 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.941 -3.242 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.363 -2.806 6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.733 -4.004 7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.770 -1.776 8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.518 -2.675 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.160 -1.514 7.892 1.00 0.00 H new ATOM 768 N GLU A 54 -7.299 -5.792 2.113 1.00 0.00 N ATOM 769 CA GLU A 54 -6.737 -6.956 1.440 1.00 0.00 C ATOM 770 C GLU A 54 -5.220 -6.836 1.320 1.00 0.00 C ATOM 771 O GLU A 54 -4.477 -7.666 1.842 1.00 0.00 O ATOM 772 CB GLU A 54 -7.358 -7.120 0.051 1.00 0.00 C ATOM 773 CG GLU A 54 -8.678 -7.872 0.060 1.00 0.00 C ATOM 774 CD GLU A 54 -8.498 -9.369 -0.103 1.00 0.00 C ATOM 775 OE1 GLU A 54 -8.216 -10.045 0.909 1.00 0.00 O ATOM 776 OE2 GLU A 54 -8.637 -9.864 -1.241 1.00 0.00 O ATOM 0 H GLU A 54 -8.082 -5.358 1.623 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.968 -7.836 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.514 -6.134 -0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.654 -7.647 -0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.199 -7.672 0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.311 -7.496 -0.744 1.00 0.00 H new ATOM 783 N PHE A 55 -4.768 -5.795 0.627 1.00 0.00 N ATOM 784 CA PHE A 55 -3.341 -5.566 0.436 1.00 0.00 C ATOM 785 C PHE A 55 -2.555 -5.959 1.684 1.00 0.00 C ATOM 786 O PHE A 55 -1.512 -6.605 1.596 1.00 0.00 O ATOM 787 CB PHE A 55 -3.080 -4.097 0.097 1.00 0.00 C ATOM 788 CG PHE A 55 -1.643 -3.802 -0.225 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.977 -4.521 -1.204 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.958 -2.806 0.452 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.345 -4.252 -1.504 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.364 -2.532 0.156 1.00 0.00 C ATOM 793 CZ PHE A 55 1.017 -3.257 -0.822 1.00 0.00 C ATOM 0 H PHE A 55 -5.370 -5.097 0.189 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.006 -6.189 -0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.700 -3.813 -0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.390 -3.478 0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.497 -5.301 -1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.462 -2.238 1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.852 -4.819 -2.271 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.886 -1.751 0.689 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.051 -3.046 -1.053 1.00 0.00 H new ATOM 803 N LEU A 56 -3.065 -5.563 2.846 1.00 0.00 N ATOM 804 CA LEU A 56 -2.411 -5.873 4.112 1.00 0.00 C ATOM 805 C LEU A 56 -2.326 -7.380 4.326 1.00 0.00 C ATOM 806 O LEU A 56 -1.250 -7.923 4.574 1.00 0.00 O ATOM 807 CB LEU A 56 -3.169 -5.223 5.273 1.00 0.00 C ATOM 808 CG LEU A 56 -3.559 -3.761 5.052 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.410 -3.256 6.207 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.318 -2.898 4.886 1.00 0.00 C ATOM 0 H LEU A 56 -3.928 -5.027 2.937 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.398 -5.472 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.074 -5.800 5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.554 -5.288 6.170 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.148 -3.696 4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.678 -2.214 6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.317 -3.857 6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.846 -3.335 7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.614 -1.861 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.703 -2.968 5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.746 -3.245 4.026 1.00 0.00 H new ATOM 822 N ASN A 57 -3.469 -8.052 4.229 1.00 0.00 N ATOM 823 CA ASN A 57 -3.525 -9.497 4.412 1.00 0.00 C ATOM 824 C ASN A 57 -2.435 -10.191 3.601 1.00 0.00 C ATOM 825 O ASN A 57 -1.808 -11.140 4.070 1.00 0.00 O ATOM 826 CB ASN A 57 -4.899 -10.032 4.004 1.00 0.00 C ATOM 827 CG ASN A 57 -5.891 -10.014 5.150 1.00 0.00 C ATOM 828 OD1 ASN A 57 -5.976 -10.965 5.927 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.647 -8.928 5.261 1.00 0.00 N ATOM 0 H ASN A 57 -4.369 -7.618 4.025 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.359 -9.710 5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.289 -9.434 3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.793 -11.052 3.635 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.332 -8.858 6.013 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.542 -8.163 4.594 1.00 0.00 H new ATOM 836 N GLU A 58 -2.215 -9.709 2.382 1.00 0.00 N ATOM 837 CA GLU A 58 -1.200 -10.283 1.505 1.00 0.00 C ATOM 838 C GLU A 58 0.158 -10.325 2.200 1.00 0.00 C ATOM 839 O GLU A 58 0.894 -11.304 2.087 1.00 0.00 O ATOM 840 CB GLU A 58 -1.098 -9.476 0.209 1.00 0.00 C ATOM 841 CG GLU A 58 -2.019 -9.974 -0.892 1.00 0.00 C ATOM 842 CD GLU A 58 -1.984 -11.483 -1.043 1.00 0.00 C ATOM 843 OE1 GLU A 58 -1.054 -11.991 -1.705 1.00 0.00 O ATOM 844 OE2 GLU A 58 -2.886 -12.155 -0.502 1.00 0.00 O ATOM 0 H GLU A 58 -2.725 -8.923 1.979 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.498 -11.304 1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.331 -8.433 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.069 -9.507 -0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.040 -9.657 -0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.733 -9.511 -1.837 1.00 0.00 H new ATOM 851 N GLY A 59 0.482 -9.254 2.918 1.00 0.00 N ATOM 852 CA GLY A 59 1.751 -9.188 3.619 1.00 0.00 C ATOM 853 C GLY A 59 1.693 -9.840 4.986 1.00 0.00 C ATOM 854 O GLY A 59 2.661 -10.455 5.430 1.00 0.00 O ATOM 0 H GLY A 59 -0.111 -8.431 3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.519 -9.676 3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.048 -8.145 3.730 1.00 0.00 H new ATOM 858 N GLY A 60 0.553 -9.704 5.657 1.00 0.00 N ATOM 859 CA GLY A 60 0.393 -10.288 6.976 1.00 0.00 C ATOM 860 C GLY A 60 0.163 -9.243 8.049 1.00 0.00 C ATOM 861 O GLY A 60 0.588 -9.413 9.192 1.00 0.00 O ATOM 0 H GLY A 60 -0.263 -9.200 5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.447 -10.982 6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.282 -10.868 7.223 1.00 0.00 H new ATOM 865 N ARG A 61 -0.510 -8.158 7.681 1.00 0.00 N ATOM 866 CA ARG A 61 -0.793 -7.080 8.621 1.00 0.00 C ATOM 867 C ARG A 61 -2.297 -6.908 8.813 1.00 0.00 C ATOM 868 O ARG A 61 -2.757 -5.871 9.292 1.00 0.00 O ATOM 869 CB ARG A 61 -0.179 -5.769 8.126 1.00 0.00 C ATOM 870 CG ARG A 61 1.290 -5.611 8.485 1.00 0.00 C ATOM 871 CD ARG A 61 1.476 -5.369 9.975 1.00 0.00 C ATOM 872 NE ARG A 61 2.887 -5.354 10.354 1.00 0.00 N ATOM 873 CZ ARG A 61 3.587 -6.449 10.626 1.00 0.00 C ATOM 874 NH1 ARG A 61 3.011 -7.642 10.559 1.00 0.00 N ATOM 875 NH2 ARG A 61 4.866 -6.353 10.964 1.00 0.00 N ATOM 0 H ARG A 61 -0.869 -8.002 6.739 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.348 -7.342 9.581 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.288 -5.713 7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.739 -4.934 8.546 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.836 -6.507 8.190 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.715 -4.779 7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.017 -4.419 10.248 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.958 -6.147 10.536 1.00 0.00 H new ATOM 0 HE ARG A 61 3.360 -4.452 10.413 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.028 -7.720 10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.551 -8.482 10.768 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.313 -5.437 11.015 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.403 -7.195 11.173 1.00 0.00 H new ATOM 889 N ALA A 62 -3.058 -7.931 8.438 1.00 0.00 N ATOM 890 CA ALA A 62 -4.509 -7.894 8.570 1.00 0.00 C ATOM 891 C ALA A 62 -4.921 -7.405 9.955 1.00 0.00 C ATOM 892 O ALA A 62 -5.808 -6.562 10.089 1.00 0.00 O ATOM 893 CB ALA A 62 -5.099 -9.269 8.296 1.00 0.00 C ATOM 0 H ALA A 62 -2.693 -8.796 8.040 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.899 -7.191 7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.183 -9.227 8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.842 -9.580 7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.695 -9.987 9.010 1.00 0.00 H new ATOM 899 N THR A 63 -4.271 -7.941 10.984 1.00 0.00 N ATOM 900 CA THR A 63 -4.572 -7.561 12.359 1.00 0.00 C ATOM 901 C THR A 63 -4.537 -6.047 12.531 1.00 0.00 C ATOM 902 O THR A 63 -5.382 -5.471 13.216 1.00 0.00 O ATOM 903 CB THR A 63 -3.580 -8.201 13.348 1.00 0.00 C ATOM 904 OG1 THR A 63 -3.908 -7.817 14.688 1.00 0.00 O ATOM 905 CG2 THR A 63 -2.152 -7.784 13.030 1.00 0.00 C ATOM 0 H THR A 63 -3.533 -8.639 10.891 1.00 0.00 H new ATOM 0 HA THR A 63 -5.576 -7.926 12.575 1.00 0.00 H new ATOM 0 HB THR A 63 -3.654 -9.284 13.252 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.274 -8.229 15.311 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.470 -8.249 13.742 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.896 -8.104 12.020 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.066 -6.700 13.100 1.00 0.00 H new ATOM 913 N SER A 64 -3.555 -5.407 11.903 1.00 0.00 N ATOM 914 CA SER A 64 -3.409 -3.958 11.990 1.00 0.00 C ATOM 915 C SER A 64 -4.698 -3.256 11.574 1.00 0.00 C ATOM 916 O SER A 64 -5.424 -3.731 10.700 1.00 0.00 O ATOM 917 CB SER A 64 -2.251 -3.488 11.108 1.00 0.00 C ATOM 918 OG SER A 64 -1.917 -2.138 11.381 1.00 0.00 O ATOM 0 H SER A 64 -2.849 -5.869 11.329 1.00 0.00 H new ATOM 0 HA SER A 64 -3.195 -3.700 13.027 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.381 -4.122 11.276 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.524 -3.593 10.058 1.00 0.00 H new ATOM 0 HG SER A 64 -1.132 -2.107 11.967 1.00 0.00 H new ATOM 924 N LYS A 65 -4.977 -2.122 12.207 1.00 0.00 N ATOM 925 CA LYS A 65 -6.177 -1.351 11.904 1.00 0.00 C ATOM 926 C LYS A 65 -5.864 -0.213 10.939 1.00 0.00 C ATOM 927 O LYS A 65 -6.591 0.012 9.972 1.00 0.00 O ATOM 928 CB LYS A 65 -6.786 -0.790 13.191 1.00 0.00 C ATOM 929 CG LYS A 65 -7.496 -1.834 14.034 1.00 0.00 C ATOM 930 CD LYS A 65 -6.514 -2.820 14.645 1.00 0.00 C ATOM 931 CE LYS A 65 -7.068 -3.442 15.918 1.00 0.00 C ATOM 932 NZ LYS A 65 -6.455 -4.771 16.197 1.00 0.00 N ATOM 0 H LYS A 65 -4.388 -1.716 12.934 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.897 -2.018 11.429 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.997 -0.330 13.786 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.493 -0.001 12.934 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.059 -1.341 14.827 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.217 -2.372 13.418 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.289 -3.605 13.923 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.576 -2.311 14.866 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.884 -2.773 16.759 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.149 -3.552 15.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.185 -5.423 16.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.041 -5.153 15.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.710 -4.666 16.916 1.00 0.00 H new ATOM 946 N ASP A 66 -4.776 0.501 11.207 1.00 0.00 N ATOM 947 CA ASP A 66 -4.365 1.615 10.360 1.00 0.00 C ATOM 948 C ASP A 66 -3.546 1.120 9.172 1.00 0.00 C ATOM 949 O ASP A 66 -2.436 0.614 9.338 1.00 0.00 O ATOM 950 CB ASP A 66 -3.552 2.626 11.170 1.00 0.00 C ATOM 951 CG ASP A 66 -4.409 3.412 12.143 1.00 0.00 C ATOM 952 OD1 ASP A 66 -5.460 2.886 12.565 1.00 0.00 O ATOM 953 OD2 ASP A 66 -4.030 4.552 12.481 1.00 0.00 O ATOM 0 H ASP A 66 -4.163 0.328 12.004 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.263 2.103 9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.770 2.102 11.720 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.054 3.316 10.489 1.00 0.00 H new ATOM 958 N TRP A 67 -4.100 1.270 7.974 1.00 0.00 N ATOM 959 CA TRP A 67 -3.421 0.838 6.758 1.00 0.00 C ATOM 960 C TRP A 67 -2.317 1.816 6.374 1.00 0.00 C ATOM 961 O TRP A 67 -1.311 1.430 5.778 1.00 0.00 O ATOM 962 CB TRP A 67 -4.423 0.704 5.610 1.00 0.00 C ATOM 963 CG TRP A 67 -5.258 1.931 5.405 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.426 2.243 6.040 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.990 3.009 4.501 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.901 3.450 5.585 1.00 0.00 N ATOM 967 CE2 TRP A 67 -6.037 3.940 4.641 1.00 0.00 C ATOM 968 CE3 TRP A 67 -3.967 3.278 3.588 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -6.089 5.119 3.902 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -4.020 4.448 2.855 1.00 0.00 C ATOM 971 CH2 TRP A 67 -5.074 5.357 3.016 1.00 0.00 C ATOM 0 H TRP A 67 -5.018 1.688 7.819 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.968 -0.134 6.951 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.883 0.483 4.690 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.079 -0.144 5.806 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.906 1.631 6.790 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.757 3.907 5.899 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.150 2.584 3.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.901 5.820 4.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.235 4.666 2.146 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.085 6.264 2.429 1.00 0.00 H new ATOM 982 N LYS A 68 -2.510 3.085 6.718 1.00 0.00 N ATOM 983 CA LYS A 68 -1.529 4.119 6.411 1.00 0.00 C ATOM 984 C LYS A 68 -0.239 3.896 7.194 1.00 0.00 C ATOM 985 O LYS A 68 0.838 4.308 6.765 1.00 0.00 O ATOM 986 CB LYS A 68 -2.100 5.503 6.732 1.00 0.00 C ATOM 987 CG LYS A 68 -3.188 5.950 5.771 1.00 0.00 C ATOM 988 CD LYS A 68 -3.734 7.317 6.145 1.00 0.00 C ATOM 989 CE LYS A 68 -5.169 7.493 5.670 1.00 0.00 C ATOM 990 NZ LYS A 68 -5.777 8.747 6.195 1.00 0.00 N ATOM 0 H LYS A 68 -3.338 3.422 7.210 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.301 4.064 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.503 5.495 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.291 6.233 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.789 5.981 4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.998 5.221 5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.689 7.444 7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.107 8.093 5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.192 7.507 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.765 6.639 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.754 8.830 5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.779 8.723 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.223 9.564 5.868 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.356 3.238 8.343 1.00 0.00 N ATOM 1005 CA GLY A 69 0.810 2.970 9.166 1.00 0.00 C ATOM 1006 C GLY A 69 1.571 1.742 8.710 1.00 0.00 C ATOM 1007 O GLY A 69 2.799 1.760 8.625 1.00 0.00 O ATOM 0 H GLY A 69 -1.236 2.886 8.719 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.474 3.834 9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.497 2.836 10.201 1.00 0.00 H new ATOM 1011 N VAL A 70 0.842 0.670 8.416 1.00 0.00 N ATOM 1012 CA VAL A 70 1.457 -0.573 7.966 1.00 0.00 C ATOM 1013 C VAL A 70 2.057 -0.417 6.573 1.00 0.00 C ATOM 1014 O VAL A 70 3.177 -0.858 6.316 1.00 0.00 O ATOM 1015 CB VAL A 70 0.438 -1.728 7.948 1.00 0.00 C ATOM 1016 CG1 VAL A 70 -0.085 -2.002 9.350 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.706 -1.415 6.996 1.00 0.00 C ATOM 0 H VAL A 70 -0.175 0.637 8.481 1.00 0.00 H new ATOM 0 HA VAL A 70 2.250 -0.809 8.675 1.00 0.00 H new ATOM 0 HB VAL A 70 0.942 -2.627 7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.803 -2.821 9.317 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.745 -2.274 10.001 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.572 -1.107 9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.416 -2.242 6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.210 -0.504 7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.313 -1.274 5.989 1.00 0.00 H new ATOM 1027 N ILE A 71 1.304 0.213 5.678 1.00 0.00 N ATOM 1028 CA ILE A 71 1.762 0.428 4.311 1.00 0.00 C ATOM 1029 C ILE A 71 2.802 1.542 4.249 1.00 0.00 C ATOM 1030 O ILE A 71 2.542 2.672 4.665 1.00 0.00 O ATOM 1031 CB ILE A 71 0.592 0.781 3.374 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.445 -0.344 3.372 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.102 1.041 1.965 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.724 0.014 2.647 1.00 0.00 C ATOM 0 H ILE A 71 0.374 0.583 5.875 1.00 0.00 H new ATOM 0 HA ILE A 71 2.213 -0.507 3.979 1.00 0.00 H new ATOM 0 HB ILE A 71 0.114 1.690 3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.009 -1.228 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.683 -0.610 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.263 1.289 1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.807 1.872 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.601 0.148 1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.413 -0.830 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.183 0.879 3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.499 0.251 1.607 1.00 0.00 H new ATOM 1046 N ARG A 72 3.979 1.216 3.727 1.00 0.00 N ATOM 1047 CA ARG A 72 5.059 2.190 3.610 1.00 0.00 C ATOM 1048 C ARG A 72 5.294 2.567 2.150 1.00 0.00 C ATOM 1049 O ARG A 72 5.240 1.716 1.262 1.00 0.00 O ATOM 1050 CB ARG A 72 6.347 1.630 4.217 1.00 0.00 C ATOM 1051 CG ARG A 72 6.192 1.173 5.658 1.00 0.00 C ATOM 1052 CD ARG A 72 7.511 0.678 6.230 1.00 0.00 C ATOM 1053 NE ARG A 72 7.701 -0.753 6.009 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.892 -1.338 5.959 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.995 -0.618 6.114 1.00 0.00 N ATOM 1056 NH2 ARG A 72 8.983 -2.646 5.754 1.00 0.00 N ATOM 0 H ARG A 72 4.210 0.286 3.378 1.00 0.00 H new ATOM 0 HA ARG A 72 4.768 3.087 4.157 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.688 0.789 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.124 2.393 4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.818 1.998 6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.450 0.377 5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.334 1.228 5.772 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.544 0.887 7.299 1.00 0.00 H new ATOM 0 HE ARG A 72 6.873 -1.336 5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.930 0.388 6.272 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.909 -1.070 6.075 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.137 -3.204 5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.899 -3.094 5.716 1.00 0.00 H new ATOM 1070 N CYS A 73 5.554 3.848 1.910 1.00 0.00 N ATOM 1071 CA CYS A 73 5.796 4.339 0.558 1.00 0.00 C ATOM 1072 C CYS A 73 7.195 4.934 0.438 1.00 0.00 C ATOM 1073 O CYS A 73 7.471 6.008 0.970 1.00 0.00 O ATOM 1074 CB CYS A 73 4.748 5.387 0.179 1.00 0.00 C ATOM 1075 SG CYS A 73 5.039 6.175 -1.422 1.00 0.00 S ATOM 0 H CYS A 73 5.603 4.565 2.634 1.00 0.00 H new ATOM 0 HA CYS A 73 5.720 3.495 -0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.766 4.915 0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.723 6.156 0.951 1.00 0.00 H new ATOM 0 HG CYS A 73 4.910 5.294 -2.369 1.00 0.00 H new ATOM 1081 N ASN A 74 8.075 4.226 -0.263 1.00 0.00 N ATOM 1082 CA ASN A 74 9.447 4.684 -0.451 1.00 0.00 C ATOM 1083 C ASN A 74 10.175 4.783 0.886 1.00 0.00 C ATOM 1084 O ASN A 74 11.044 5.634 1.070 1.00 0.00 O ATOM 1085 CB ASN A 74 9.462 6.042 -1.155 1.00 0.00 C ATOM 1086 CG ASN A 74 9.096 5.937 -2.623 1.00 0.00 C ATOM 1087 OD1 ASN A 74 9.142 4.855 -3.209 1.00 0.00 O ATOM 1088 ND2 ASN A 74 8.731 7.063 -3.224 1.00 0.00 N ATOM 0 H ASN A 74 7.863 3.334 -0.710 1.00 0.00 H new ATOM 0 HA ASN A 74 9.965 3.955 -1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.764 6.714 -0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.453 6.486 -1.061 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.474 7.054 -4.211 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.707 7.937 -2.699 1.00 0.00 H new ATOM 1095 N GLY A 75 9.814 3.905 1.817 1.00 0.00 N ATOM 1096 CA GLY A 75 10.443 3.910 3.125 1.00 0.00 C ATOM 1097 C GLY A 75 9.732 4.821 4.106 1.00 0.00 C ATOM 1098 O GLY A 75 10.028 4.807 5.301 1.00 0.00 O ATOM 0 H GLY A 75 9.097 3.191 1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.458 2.895 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.481 4.228 3.025 1.00 0.00 H new ATOM 1102 N GLU A 76 8.794 5.615 3.601 1.00 0.00 N ATOM 1103 CA GLU A 76 8.042 6.539 4.442 1.00 0.00 C ATOM 1104 C GLU A 76 6.562 6.168 4.468 1.00 0.00 C ATOM 1105 O GLU A 76 5.916 6.068 3.424 1.00 0.00 O ATOM 1106 CB GLU A 76 8.211 7.974 3.941 1.00 0.00 C ATOM 1107 CG GLU A 76 9.589 8.554 4.210 1.00 0.00 C ATOM 1108 CD GLU A 76 10.614 8.130 3.176 1.00 0.00 C ATOM 1109 OE1 GLU A 76 10.568 8.658 2.045 1.00 0.00 O ATOM 1110 OE2 GLU A 76 11.460 7.270 3.497 1.00 0.00 O ATOM 0 H GLU A 76 8.536 5.637 2.614 1.00 0.00 H new ATOM 0 HA GLU A 76 8.435 6.469 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.018 8.001 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.461 8.606 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.524 9.642 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.924 8.240 5.198 1.00 0.00 H new ATOM 1117 N THR A 77 6.029 5.966 5.669 1.00 0.00 N ATOM 1118 CA THR A 77 4.626 5.606 5.832 1.00 0.00 C ATOM 1119 C THR A 77 3.714 6.638 5.180 1.00 0.00 C ATOM 1120 O THR A 77 4.010 7.833 5.183 1.00 0.00 O ATOM 1121 CB THR A 77 4.250 5.471 7.320 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.395 6.735 7.978 1.00 0.00 O ATOM 1123 CG2 THR A 77 5.123 4.432 8.007 1.00 0.00 C ATOM 0 H THR A 77 6.548 6.046 6.543 1.00 0.00 H new ATOM 0 HA THR A 77 4.488 4.643 5.341 1.00 0.00 H new ATOM 0 HB THR A 77 3.211 5.147 7.382 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.153 6.642 8.923 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.839 4.355 9.056 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.988 3.465 7.522 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.169 4.731 7.935 1.00 0.00 H new ATOM 1131 N LEU A 78 2.603 6.170 4.622 1.00 0.00 N ATOM 1132 CA LEU A 78 1.645 7.053 3.966 1.00 0.00 C ATOM 1133 C LEU A 78 1.359 8.280 4.826 1.00 0.00 C ATOM 1134 O LEU A 78 1.378 9.411 4.340 1.00 0.00 O ATOM 1135 CB LEU A 78 0.343 6.303 3.676 1.00 0.00 C ATOM 1136 CG LEU A 78 0.486 5.093 2.753 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.831 4.340 2.651 1.00 0.00 C ATOM 1138 CD2 LEU A 78 0.960 5.528 1.374 1.00 0.00 C ATOM 0 H LEU A 78 2.343 5.184 4.611 1.00 0.00 H new ATOM 0 HA LEU A 78 2.081 7.386 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.086 5.971 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.368 6.999 3.230 1.00 0.00 H new ATOM 0 HG LEU A 78 1.233 4.422 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.709 3.482 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.131 3.996 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.598 5.002 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.056 4.654 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.236 6.219 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.927 6.023 1.461 1.00 0.00 H new ATOM 1150 N ARG A 79 1.092 8.047 6.107 1.00 0.00 N ATOM 1151 CA ARG A 79 0.800 9.133 7.036 1.00 0.00 C ATOM 1152 C ARG A 79 1.899 10.190 6.999 1.00 0.00 C ATOM 1153 O ARG A 79 1.621 11.390 7.014 1.00 0.00 O ATOM 1154 CB ARG A 79 0.648 8.589 8.458 1.00 0.00 C ATOM 1155 CG ARG A 79 0.430 9.670 9.503 1.00 0.00 C ATOM 1156 CD ARG A 79 0.479 9.100 10.912 1.00 0.00 C ATOM 1157 NE ARG A 79 -0.767 8.432 11.277 1.00 0.00 N ATOM 1158 CZ ARG A 79 -1.836 9.070 11.739 1.00 0.00 C ATOM 1159 NH1 ARG A 79 -1.811 10.387 11.892 1.00 0.00 N ATOM 1160 NH2 ARG A 79 -2.933 8.392 12.048 1.00 0.00 N ATOM 0 H ARG A 79 1.072 7.117 6.525 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.137 9.598 6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.192 7.895 8.485 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.540 8.019 8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.192 10.441 9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.535 10.149 9.337 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.305 8.393 10.988 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.681 9.903 11.621 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.819 7.419 11.171 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.969 10.912 11.655 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.633 10.875 12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.956 7.379 11.931 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.753 8.883 12.403 1.00 0.00 H new ATOM 1174 N HIS A 80 3.148 9.737 6.952 1.00 0.00 N ATOM 1175 CA HIS A 80 4.289 10.645 6.913 1.00 0.00 C ATOM 1176 C HIS A 80 4.246 11.519 5.663 1.00 0.00 C ATOM 1177 O HIS A 80 4.459 12.729 5.733 1.00 0.00 O ATOM 1178 CB HIS A 80 5.598 9.854 6.951 1.00 0.00 C ATOM 1179 CG HIS A 80 6.813 10.715 7.108 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.521 10.811 8.287 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.447 11.522 6.224 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.536 11.640 8.123 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.514 12.085 6.879 1.00 0.00 N ATOM 0 H HIS A 80 3.395 8.748 6.940 1.00 0.00 H new ATOM 0 HA HIS A 80 4.237 11.292 7.789 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.559 9.141 7.775 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.690 9.274 6.032 1.00 0.00 H new ATOM 0 HD1 HIS A 80 7.296 10.318 9.151 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.165 11.691 5.195 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.261 11.909 8.877 1.00 0.00 H new ATOM 1192 N LEU A 81 3.969 10.898 4.522 1.00 0.00 N ATOM 1193 CA LEU A 81 3.899 11.620 3.256 1.00 0.00 C ATOM 1194 C LEU A 81 2.843 12.719 3.314 1.00 0.00 C ATOM 1195 O LEU A 81 3.072 13.838 2.857 1.00 0.00 O ATOM 1196 CB LEU A 81 3.584 10.654 2.112 1.00 0.00 C ATOM 1197 CG LEU A 81 4.530 9.458 1.996 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.031 8.482 0.942 1.00 0.00 C ATOM 1199 CD2 LEU A 81 5.940 9.924 1.668 1.00 0.00 C ATOM 0 H LEU A 81 3.789 9.897 4.447 1.00 0.00 H new ATOM 0 HA LEU A 81 4.869 12.083 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.567 10.283 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.606 11.207 1.173 1.00 0.00 H new ATOM 0 HG LEU A 81 4.553 8.943 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.717 7.638 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.040 8.123 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.978 8.985 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.600 9.060 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.934 10.463 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.298 10.583 2.459 1.00 0.00 H new ATOM 1211 N GLU A 82 1.686 12.390 3.880 1.00 0.00 N ATOM 1212 CA GLU A 82 0.593 13.349 3.997 1.00 0.00 C ATOM 1213 C GLU A 82 1.037 14.586 4.773 1.00 0.00 C ATOM 1214 O GLU A 82 0.738 15.715 4.383 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.610 12.704 4.688 1.00 0.00 C ATOM 1216 CG GLU A 82 -1.789 13.647 4.863 1.00 0.00 C ATOM 1217 CD GLU A 82 -1.591 14.622 6.006 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -0.790 14.316 6.915 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -2.235 15.692 5.993 1.00 0.00 O ATOM 0 H GLU A 82 1.481 11.468 4.264 1.00 0.00 H new ATOM 0 HA GLU A 82 0.303 13.656 2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.931 11.839 4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.302 12.336 5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.945 14.203 3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.693 13.064 5.040 1.00 0.00 H new ATOM 1226 N GLN A 83 1.750 14.364 5.872 1.00 0.00 N ATOM 1227 CA GLN A 83 2.233 15.460 6.703 1.00 0.00 C ATOM 1228 C GLN A 83 3.081 16.429 5.886 1.00 0.00 C ATOM 1229 O GLN A 83 3.031 17.642 6.094 1.00 0.00 O ATOM 1230 CB GLN A 83 3.048 14.916 7.878 1.00 0.00 C ATOM 1231 CG GLN A 83 2.195 14.309 8.980 1.00 0.00 C ATOM 1232 CD GLN A 83 2.867 14.369 10.338 1.00 0.00 C ATOM 1233 OE1 GLN A 83 3.416 15.400 10.726 1.00 0.00 O ATOM 1234 NE2 GLN A 83 2.826 13.261 11.069 1.00 0.00 N ATOM 0 H GLN A 83 2.006 13.435 6.208 1.00 0.00 H new ATOM 0 HA GLN A 83 1.368 15.999 7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.742 14.161 7.509 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.649 15.723 8.298 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.241 14.835 9.027 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.975 13.270 8.733 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.360 12.429 10.708 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.261 13.242 11.992 1.00 0.00 H new ATOM 1243 N LYS A 84 3.861 15.888 4.957 1.00 0.00 N ATOM 1244 CA LYS A 84 4.720 16.704 4.107 1.00 0.00 C ATOM 1245 C LYS A 84 3.946 17.241 2.908 1.00 0.00 C ATOM 1246 O LYS A 84 4.533 17.776 1.967 1.00 0.00 O ATOM 1247 CB LYS A 84 5.922 15.887 3.628 1.00 0.00 C ATOM 1248 CG LYS A 84 6.928 15.584 4.725 1.00 0.00 C ATOM 1249 CD LYS A 84 7.749 14.347 4.403 1.00 0.00 C ATOM 1250 CE LYS A 84 8.874 14.663 3.428 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.816 13.520 3.279 1.00 0.00 N ATOM 0 H LYS A 84 3.916 14.886 4.773 1.00 0.00 H new ATOM 0 HA LYS A 84 5.075 17.550 4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.566 14.948 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.423 16.430 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.592 16.438 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.404 15.438 5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.167 13.937 5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.102 13.580 3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.452 14.915 2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.420 15.540 3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.568 13.775 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.239 13.296 4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.301 12.690 2.923 1.00 0.00 H new ATOM 1265 N GLY A 85 2.625 17.097 2.948 1.00 0.00 N ATOM 1266 CA GLY A 85 1.793 17.574 1.859 1.00 0.00 C ATOM 1267 C GLY A 85 2.092 16.871 0.549 1.00 0.00 C ATOM 1268 O GLY A 85 1.982 17.467 -0.522 1.00 0.00 O ATOM 0 H GLY A 85 2.116 16.658 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.744 17.426 2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.943 18.646 1.735 1.00 0.00 H new ATOM 1272 N LEU A 86 2.474 15.602 0.635 1.00 0.00 N ATOM 1273 CA LEU A 86 2.792 14.817 -0.552 1.00 0.00 C ATOM 1274 C LEU A 86 1.644 13.877 -0.907 1.00 0.00 C ATOM 1275 O LEU A 86 1.363 13.638 -2.081 1.00 0.00 O ATOM 1276 CB LEU A 86 4.075 14.013 -0.329 1.00 0.00 C ATOM 1277 CG LEU A 86 5.247 14.811 0.244 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.347 13.877 0.721 1.00 0.00 C ATOM 1279 CD2 LEU A 86 5.785 15.785 -0.794 1.00 0.00 C ATOM 0 H LEU A 86 2.571 15.095 1.515 1.00 0.00 H new ATOM 0 HA LEU A 86 2.943 15.506 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.855 13.185 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.382 13.577 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 86 4.889 15.383 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.172 14.463 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.955 13.219 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.704 13.278 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.619 16.345 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.127 15.232 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.995 16.477 -1.088 1.00 0.00 H new ATOM 1291 N LEU A 87 0.985 13.346 0.117 1.00 0.00 N ATOM 1292 CA LEU A 87 -0.133 12.431 -0.085 1.00 0.00 C ATOM 1293 C LEU A 87 -1.459 13.113 0.234 1.00 0.00 C ATOM 1294 O LEU A 87 -1.606 13.753 1.276 1.00 0.00 O ATOM 1295 CB LEU A 87 0.037 11.185 0.787 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.913 10.032 0.461 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.449 9.295 -0.786 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.015 9.076 1.640 1.00 0.00 C ATOM 0 H LEU A 87 1.205 13.533 1.095 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.142 12.134 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.063 10.829 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.104 11.468 1.830 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.903 10.445 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.137 8.478 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.428 9.985 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.551 8.893 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.695 8.262 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.029 8.669 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.394 9.611 2.511 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.423 12.972 -0.670 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.738 13.576 -0.486 1.00 0.00 C ATOM 1312 C PHE A 88 -4.558 12.792 0.535 1.00 0.00 C ATOM 1313 O PHE A 88 -5.323 13.370 1.307 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.486 13.636 -1.819 1.00 0.00 C ATOM 1315 CG PHE A 88 -5.226 12.371 -2.149 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.560 11.157 -2.202 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.587 12.396 -2.407 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.237 9.991 -2.506 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.270 11.233 -2.710 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.594 10.030 -2.761 1.00 0.00 C ATOM 0 H PHE A 88 -2.318 12.445 -1.537 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.596 14.590 -0.111 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.193 14.465 -1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.774 13.850 -2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.499 11.121 -2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.120 13.335 -2.371 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.706 9.051 -2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.331 11.265 -2.907 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.126 9.121 -3.000 1.00 0.00 H new ATOM 1330 N SER A 89 -4.392 11.474 0.533 1.00 0.00 N ATOM 1331 CA SER A 89 -5.119 10.610 1.455 1.00 0.00 C ATOM 1332 C SER A 89 -6.618 10.887 1.392 1.00 0.00 C ATOM 1333 O SER A 89 -7.282 11.005 2.421 1.00 0.00 O ATOM 1334 CB SER A 89 -4.611 10.811 2.884 1.00 0.00 C ATOM 1335 OG SER A 89 -3.460 10.023 3.132 1.00 0.00 O ATOM 0 H SER A 89 -3.760 10.981 -0.097 1.00 0.00 H new ATOM 0 HA SER A 89 -4.946 9.576 1.158 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.377 11.863 3.045 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.396 10.547 3.593 1.00 0.00 H new ATOM 0 HG SER A 89 -2.812 10.545 3.649 1.00 0.00 H new ATOM 1341 N GLY A 90 -7.144 10.991 0.175 1.00 0.00 N ATOM 1342 CA GLY A 90 -8.560 11.254 -0.001 1.00 0.00 C ATOM 1343 C GLY A 90 -8.905 12.718 0.187 1.00 0.00 C ATOM 1344 O GLY A 90 -8.229 13.449 0.910 1.00 0.00 O ATOM 0 H GLY A 90 -6.614 10.898 -0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -8.864 10.937 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.129 10.655 0.711 1.00 0.00 H new ATOM 1348 N PRO A 91 -9.982 13.166 -0.476 1.00 0.00 N ATOM 1349 CA PRO A 91 -10.439 14.556 -0.395 1.00 0.00 C ATOM 1350 C PRO A 91 -11.019 14.897 0.973 1.00 0.00 C ATOM 1351 O PRO A 91 -11.062 14.052 1.868 1.00 0.00 O ATOM 1352 CB PRO A 91 -11.525 14.635 -1.471 1.00 0.00 C ATOM 1353 CG PRO A 91 -12.021 13.237 -1.612 1.00 0.00 C ATOM 1354 CD PRO A 91 -10.835 12.349 -1.356 1.00 0.00 C ATOM 0 HA PRO A 91 -9.622 15.263 -0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.327 15.312 -1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.123 15.009 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.822 13.033 -0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -12.429 13.066 -2.608 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.128 11.415 -0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -10.323 12.086 -2.281 1.00 0.00 H new ATOM 1362 N SER A 92 -11.465 16.139 1.129 1.00 0.00 N ATOM 1363 CA SER A 92 -12.040 16.592 2.391 1.00 0.00 C ATOM 1364 C SER A 92 -13.562 16.649 2.305 1.00 0.00 C ATOM 1365 O SER A 92 -14.261 16.324 3.264 1.00 0.00 O ATOM 1366 CB SER A 92 -11.486 17.969 2.762 1.00 0.00 C ATOM 1367 OG SER A 92 -12.004 18.974 1.908 1.00 0.00 O ATOM 0 H SER A 92 -11.440 16.850 0.398 1.00 0.00 H new ATOM 0 HA SER A 92 -11.764 15.877 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.740 18.200 3.796 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.398 17.957 2.696 1.00 0.00 H new ATOM 0 HG SER A 92 -11.636 19.845 2.167 1.00 0.00 H new ATOM 1373 N SER A 93 -14.068 17.066 1.148 1.00 0.00 N ATOM 1374 CA SER A 93 -15.507 17.171 0.937 1.00 0.00 C ATOM 1375 C SER A 93 -16.147 15.788 0.869 1.00 0.00 C ATOM 1376 O SER A 93 -15.472 14.790 0.622 1.00 0.00 O ATOM 1377 CB SER A 93 -15.799 17.944 -0.350 1.00 0.00 C ATOM 1378 OG SER A 93 -15.388 17.211 -1.491 1.00 0.00 O ATOM 0 H SER A 93 -13.503 17.336 0.343 1.00 0.00 H new ATOM 0 HA SER A 93 -15.936 17.710 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.866 18.157 -0.416 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.284 18.904 -0.326 1.00 0.00 H new ATOM 0 HG SER A 93 -15.587 17.726 -2.300 1.00 0.00 H new ATOM 1384 N GLY A 94 -17.457 15.738 1.092 1.00 0.00 N ATOM 1385 CA GLY A 94 -18.169 14.474 1.052 1.00 0.00 C ATOM 1386 C GLY A 94 -17.549 13.431 1.961 1.00 0.00 C ATOM 1387 O GLY A 94 -17.778 13.436 3.170 1.00 0.00 O ATOM 0 H GLY A 94 -18.038 16.550 1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -19.207 14.635 1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -18.181 14.099 0.029 1.00 0.00 H new TER 1391 GLY A 94