USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 571 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 28 SER OG : rot 111:sc= -1.91! USER MOD Set 1.2: A 60 ASN : amide:sc= -1.63! K(o=-3.5!,f=0.66) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= -0.0557 USER MOD Single : A 3 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.17) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.759 USER MOD Single : A 8 GLN : amide:sc= -0.0111 K(o=-0.011,f=-1.8) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc=-0.00419 (180deg=-0.459) USER MOD Single : A 23 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.039) USER MOD Single : A 24 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.4!) USER MOD Single : A 26 SER OG : rot 35:sc= 0.153 USER MOD Single : A 29 SER OG : rot 71:sc= 1.39 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 179:sc= -1.32 (180deg=-1.36) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 55:sc= 0.00633 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 52 MET CE :methyl -174:sc= -2.57! (180deg=-2.59!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0.023) USER MOD Single : A 61 HIS : no HE2:sc= -11.1! C(o=-11!,f=-14!) USER MOD Single : A 62 GLN : amide:sc= -0.0727 X(o=-0.073,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 142:sc= -0.918 (180deg=-1.59!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.057 X(o=-0.057,f=-0.4) USER MOD Single : A 77 LYS NZ :NH3+ -135:sc= -0.645 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.896 -8.304 -23.376 1.00 0.00 N ATOM 2 CA SER A 1 -7.096 -7.181 -22.807 1.00 0.00 C ATOM 3 C SER A 1 -8.006 -5.991 -22.491 1.00 0.00 C ATOM 4 O SER A 1 -8.789 -5.559 -23.314 1.00 0.00 O ATOM 5 CB SER A 1 -6.096 -6.814 -23.902 1.00 0.00 C ATOM 6 OG SER A 1 -4.938 -6.242 -23.308 1.00 0.00 O ATOM 0 H1 SER A 1 -7.268 -9.106 -23.586 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.617 -8.600 -22.688 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.362 -7.990 -24.251 1.00 0.00 H new ATOM 0 HA SER A 1 -6.599 -7.457 -21.877 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.825 -7.701 -24.475 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.547 -6.109 -24.601 1.00 0.00 H new ATOM 0 HG SER A 1 -4.294 -6.007 -24.008 1.00 0.00 H new ATOM 14 N SER A 2 -7.909 -5.457 -21.303 1.00 0.00 N ATOM 15 CA SER A 2 -8.768 -4.296 -20.935 1.00 0.00 C ATOM 16 C SER A 2 -8.393 -3.780 -19.544 1.00 0.00 C ATOM 17 O SER A 2 -7.340 -4.087 -19.021 1.00 0.00 O ATOM 18 CB SER A 2 -10.195 -4.843 -20.937 1.00 0.00 C ATOM 19 OG SER A 2 -10.174 -6.212 -20.555 1.00 0.00 O ATOM 0 H SER A 2 -7.272 -5.775 -20.572 1.00 0.00 H new ATOM 0 HA SER A 2 -8.651 -3.461 -21.625 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.817 -4.271 -20.248 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.636 -4.737 -21.928 1.00 0.00 H new ATOM 0 HG SER A 2 -11.088 -6.565 -20.554 1.00 0.00 H new ATOM 25 N ASN A 3 -9.245 -2.996 -18.941 1.00 0.00 N ATOM 26 CA ASN A 3 -8.936 -2.462 -17.583 1.00 0.00 C ATOM 27 C ASN A 3 -8.765 -3.612 -16.588 1.00 0.00 C ATOM 28 O ASN A 3 -8.225 -4.651 -16.912 1.00 0.00 O ATOM 29 CB ASN A 3 -10.145 -1.604 -17.211 1.00 0.00 C ATOM 30 CG ASN A 3 -10.412 -0.586 -18.321 1.00 0.00 C ATOM 31 OD1 ASN A 3 -11.424 -0.652 -18.992 1.00 0.00 O ATOM 32 ND2 ASN A 3 -9.541 0.359 -18.546 1.00 0.00 N ATOM 0 H ASN A 3 -10.141 -2.702 -19.329 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.009 -1.889 -17.565 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.021 -2.236 -17.065 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.962 -1.089 -16.268 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -9.709 1.042 -19.285 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -8.692 0.415 -17.983 1.00 0.00 H new ATOM 39 N LEU A 4 -9.221 -3.434 -15.378 1.00 0.00 N ATOM 40 CA LEU A 4 -9.084 -4.518 -14.363 1.00 0.00 C ATOM 41 C LEU A 4 -10.288 -5.460 -14.430 1.00 0.00 C ATOM 42 O LEU A 4 -11.277 -5.175 -15.076 1.00 0.00 O ATOM 43 CB LEU A 4 -9.042 -3.795 -13.016 1.00 0.00 C ATOM 44 CG LEU A 4 -7.904 -4.365 -12.166 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.562 -4.046 -12.828 1.00 0.00 C ATOM 46 CD2 LEU A 4 -7.946 -3.735 -10.772 1.00 0.00 C ATOM 0 H LEU A 4 -9.682 -2.586 -15.048 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.195 -5.128 -14.526 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.895 -2.726 -13.170 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.993 -3.915 -12.497 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.020 -5.446 -12.082 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.752 -4.452 -12.222 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.531 -4.493 -13.822 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.446 -2.966 -12.912 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.136 -4.140 -10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.830 -2.655 -10.857 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.902 -3.961 -10.299 1.00 0.00 H new ATOM 58 N THR A 5 -10.215 -6.582 -13.766 1.00 0.00 N ATOM 59 CA THR A 5 -11.355 -7.541 -13.792 1.00 0.00 C ATOM 60 C THR A 5 -11.357 -8.395 -12.521 1.00 0.00 C ATOM 61 O THR A 5 -10.809 -8.015 -11.505 1.00 0.00 O ATOM 62 CB THR A 5 -11.111 -8.414 -15.024 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.362 -7.679 -15.982 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.452 -8.830 -15.631 1.00 0.00 C ATOM 0 H THR A 5 -9.414 -6.875 -13.206 1.00 0.00 H new ATOM 0 HA THR A 5 -12.319 -7.035 -13.836 1.00 0.00 H new ATOM 0 HB THR A 5 -10.555 -9.305 -14.734 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.203 -8.237 -16.772 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.277 -9.452 -16.509 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.025 -9.394 -14.895 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.011 -7.941 -15.922 1.00 0.00 H new ATOM 72 N GLU A 6 -11.969 -9.547 -12.570 1.00 0.00 N ATOM 73 CA GLU A 6 -12.005 -10.422 -11.363 1.00 0.00 C ATOM 74 C GLU A 6 -10.617 -11.011 -11.093 1.00 0.00 C ATOM 75 O GLU A 6 -9.990 -10.715 -10.096 1.00 0.00 O ATOM 76 CB GLU A 6 -13.000 -11.531 -11.709 1.00 0.00 C ATOM 77 CG GLU A 6 -14.396 -10.930 -11.881 1.00 0.00 C ATOM 78 CD GLU A 6 -14.971 -10.573 -10.509 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.715 -11.312 -9.571 1.00 0.00 O ATOM 80 OE2 GLU A 6 -15.657 -9.569 -10.419 1.00 0.00 O ATOM 0 H GLU A 6 -12.445 -9.920 -13.392 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.297 -9.876 -10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.694 -12.035 -12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.011 -12.283 -10.920 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.346 -10.040 -12.509 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.049 -11.640 -12.387 1.00 0.00 H new ATOM 87 N GLU A 7 -10.134 -11.843 -11.975 1.00 0.00 N ATOM 88 CA GLU A 7 -8.788 -12.450 -11.769 1.00 0.00 C ATOM 89 C GLU A 7 -7.740 -11.353 -11.556 1.00 0.00 C ATOM 90 O GLU A 7 -6.845 -11.487 -10.745 1.00 0.00 O ATOM 91 CB GLU A 7 -8.501 -13.225 -13.054 1.00 0.00 C ATOM 92 CG GLU A 7 -8.596 -14.727 -12.779 1.00 0.00 C ATOM 93 CD GLU A 7 -7.380 -15.435 -13.377 1.00 0.00 C ATOM 94 OE1 GLU A 7 -6.275 -14.983 -13.129 1.00 0.00 O ATOM 95 OE2 GLU A 7 -7.574 -16.417 -14.074 1.00 0.00 O ATOM 0 H GLU A 7 -10.613 -12.129 -12.829 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.756 -13.094 -10.890 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.213 -12.941 -13.829 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.508 -12.975 -13.427 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.643 -14.908 -11.705 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.513 -15.129 -13.211 1.00 0.00 H new ATOM 102 N GLN A 8 -7.843 -10.272 -12.278 1.00 0.00 N ATOM 103 CA GLN A 8 -6.851 -9.170 -12.114 1.00 0.00 C ATOM 104 C GLN A 8 -6.778 -8.743 -10.646 1.00 0.00 C ATOM 105 O GLN A 8 -5.744 -8.834 -10.014 1.00 0.00 O ATOM 106 CB GLN A 8 -7.380 -8.028 -12.980 1.00 0.00 C ATOM 107 CG GLN A 8 -6.220 -7.394 -13.753 1.00 0.00 C ATOM 108 CD GLN A 8 -5.983 -8.173 -15.047 1.00 0.00 C ATOM 109 OE1 GLN A 8 -6.201 -9.367 -15.101 1.00 0.00 O ATOM 110 NE2 GLN A 8 -5.539 -7.544 -16.101 1.00 0.00 N ATOM 0 H GLN A 8 -8.570 -10.103 -12.974 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.845 -9.470 -12.409 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.132 -8.402 -13.674 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.867 -7.279 -12.355 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.446 -6.352 -13.980 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.317 -7.398 -13.143 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.356 -6.542 -16.057 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.376 -8.055 -16.969 1.00 0.00 H new ATOM 119 N ILE A 9 -7.867 -8.280 -10.098 1.00 0.00 N ATOM 120 CA ILE A 9 -7.858 -7.850 -8.671 1.00 0.00 C ATOM 121 C ILE A 9 -7.285 -8.963 -7.791 1.00 0.00 C ATOM 122 O ILE A 9 -6.547 -8.714 -6.859 1.00 0.00 O ATOM 123 CB ILE A 9 -9.325 -7.594 -8.323 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.862 -6.457 -9.195 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.441 -7.203 -6.850 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.345 -6.238 -8.892 1.00 0.00 C ATOM 0 H ILE A 9 -8.763 -8.181 -10.576 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.242 -6.965 -8.510 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.905 -8.499 -8.504 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.302 -5.542 -9.003 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.727 -6.698 -10.249 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.487 -7.021 -6.603 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.057 -8.011 -6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.862 -6.298 -6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.728 -5.428 -9.513 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.899 -7.152 -9.106 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.467 -5.978 -7.841 1.00 0.00 H new ATOM 138 N ALA A 10 -7.614 -10.191 -8.084 1.00 0.00 N ATOM 139 CA ALA A 10 -7.088 -11.321 -7.267 1.00 0.00 C ATOM 140 C ALA A 10 -5.558 -11.273 -7.228 1.00 0.00 C ATOM 141 O ALA A 10 -4.959 -11.061 -6.192 1.00 0.00 O ATOM 142 CB ALA A 10 -7.567 -12.585 -7.980 1.00 0.00 C ATOM 0 H ALA A 10 -8.225 -10.461 -8.855 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.435 -11.282 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.218 -13.463 -7.437 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.656 -12.591 -8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.168 -12.604 -8.994 1.00 0.00 H new ATOM 148 N GLU A 11 -4.921 -11.464 -8.351 1.00 0.00 N ATOM 149 CA GLU A 11 -3.430 -11.424 -8.378 1.00 0.00 C ATOM 150 C GLU A 11 -2.927 -10.166 -7.667 1.00 0.00 C ATOM 151 O GLU A 11 -1.903 -10.179 -7.012 1.00 0.00 O ATOM 152 CB GLU A 11 -3.061 -11.389 -9.861 1.00 0.00 C ATOM 153 CG GLU A 11 -2.846 -12.815 -10.368 1.00 0.00 C ATOM 154 CD GLU A 11 -1.351 -13.062 -10.584 1.00 0.00 C ATOM 155 OE1 GLU A 11 -0.566 -12.512 -9.830 1.00 0.00 O ATOM 156 OE2 GLU A 11 -1.018 -13.795 -11.501 1.00 0.00 O ATOM 0 H GLU A 11 -5.367 -11.646 -9.250 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.982 -12.278 -7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.853 -10.904 -10.432 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.156 -10.800 -10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.243 -13.531 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.389 -12.966 -11.301 1.00 0.00 H new ATOM 163 N PHE A 12 -3.641 -9.081 -7.789 1.00 0.00 N ATOM 164 CA PHE A 12 -3.205 -7.823 -7.118 1.00 0.00 C ATOM 165 C PHE A 12 -3.238 -7.999 -5.598 1.00 0.00 C ATOM 166 O PHE A 12 -2.319 -7.622 -4.899 1.00 0.00 O ATOM 167 CB PHE A 12 -4.219 -6.767 -7.557 1.00 0.00 C ATOM 168 CG PHE A 12 -3.854 -6.254 -8.929 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.644 -7.154 -9.981 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.727 -4.877 -9.150 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.307 -6.677 -11.253 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.389 -4.401 -10.423 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.180 -5.301 -11.474 1.00 0.00 C ATOM 0 H PHE A 12 -4.507 -9.011 -8.324 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.186 -7.544 -7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.221 -7.195 -7.573 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.235 -5.944 -6.842 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.742 -8.216 -9.811 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.890 -4.182 -8.339 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.145 -7.371 -12.064 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.290 -3.339 -10.594 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.921 -4.934 -12.456 1.00 0.00 H new ATOM 183 N LYS A 13 -4.290 -8.574 -5.081 1.00 0.00 N ATOM 184 CA LYS A 13 -4.379 -8.777 -3.606 1.00 0.00 C ATOM 185 C LYS A 13 -3.166 -9.567 -3.112 1.00 0.00 C ATOM 186 O LYS A 13 -2.458 -9.144 -2.220 1.00 0.00 O ATOM 187 CB LYS A 13 -5.665 -9.576 -3.392 1.00 0.00 C ATOM 188 CG LYS A 13 -6.180 -9.341 -1.971 1.00 0.00 C ATOM 189 CD LYS A 13 -7.497 -10.094 -1.774 1.00 0.00 C ATOM 190 CE LYS A 13 -8.072 -9.767 -0.393 1.00 0.00 C ATOM 191 NZ LYS A 13 -7.504 -10.803 0.513 1.00 0.00 N ATOM 0 H LYS A 13 -5.091 -8.912 -5.615 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.391 -7.835 -3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.419 -9.273 -4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.477 -10.638 -3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.442 -9.681 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.329 -8.275 -1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.208 -9.814 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.331 -11.167 -1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.788 -8.764 -0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.161 -9.802 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.852 -10.647 1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.797 -11.747 0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.466 -10.741 0.504 1.00 0.00 H new ATOM 205 N GLU A 14 -2.917 -10.712 -3.689 1.00 0.00 N ATOM 206 CA GLU A 14 -1.746 -11.525 -3.252 1.00 0.00 C ATOM 207 C GLU A 14 -0.484 -10.657 -3.240 1.00 0.00 C ATOM 208 O GLU A 14 0.332 -10.745 -2.344 1.00 0.00 O ATOM 209 CB GLU A 14 -1.624 -12.637 -4.294 1.00 0.00 C ATOM 210 CG GLU A 14 -2.726 -13.674 -4.066 1.00 0.00 C ATOM 211 CD GLU A 14 -2.126 -14.921 -3.416 1.00 0.00 C ATOM 212 OE1 GLU A 14 -0.945 -14.898 -3.111 1.00 0.00 O ATOM 213 OE2 GLU A 14 -2.859 -15.880 -3.234 1.00 0.00 O ATOM 0 H GLU A 14 -3.472 -11.118 -4.442 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.869 -11.925 -2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.705 -12.220 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.645 -13.110 -4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.506 -13.258 -3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.196 -13.935 -5.014 1.00 0.00 H new ATOM 220 N ALA A 15 -0.322 -9.820 -4.227 1.00 0.00 N ATOM 221 CA ALA A 15 0.884 -8.945 -4.274 1.00 0.00 C ATOM 222 C ALA A 15 0.813 -7.890 -3.165 1.00 0.00 C ATOM 223 O ALA A 15 1.571 -7.920 -2.218 1.00 0.00 O ATOM 224 CB ALA A 15 0.837 -8.280 -5.650 1.00 0.00 C ATOM 0 H ALA A 15 -0.973 -9.704 -5.004 1.00 0.00 H new ATOM 0 HA ALA A 15 1.807 -9.504 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.695 -7.617 -5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.865 -9.046 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.083 -7.702 -5.744 1.00 0.00 H new ATOM 230 N PHE A 16 -0.093 -6.960 -3.279 1.00 0.00 N ATOM 231 CA PHE A 16 -0.217 -5.903 -2.234 1.00 0.00 C ATOM 232 C PHE A 16 -0.075 -6.517 -0.838 1.00 0.00 C ATOM 233 O PHE A 16 0.685 -6.043 -0.016 1.00 0.00 O ATOM 234 CB PHE A 16 -1.619 -5.326 -2.426 1.00 0.00 C ATOM 235 CG PHE A 16 -1.860 -4.230 -1.418 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.518 -2.907 -1.725 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.429 -4.536 -0.175 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.744 -1.891 -0.789 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.654 -3.519 0.761 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.312 -2.197 0.454 1.00 0.00 C ATOM 0 H PHE A 16 -0.755 -6.885 -4.052 1.00 0.00 H new ATOM 0 HA PHE A 16 0.556 -5.140 -2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.726 -4.933 -3.437 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.365 -6.112 -2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.080 -2.671 -2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.694 -5.556 0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.480 -0.871 -1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.091 -3.755 1.720 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.486 -1.413 1.176 1.00 0.00 H new ATOM 250 N ALA A 17 -0.801 -7.565 -0.564 1.00 0.00 N ATOM 251 CA ALA A 17 -0.709 -8.207 0.779 1.00 0.00 C ATOM 252 C ALA A 17 0.644 -8.906 0.946 1.00 0.00 C ATOM 253 O ALA A 17 1.077 -9.182 2.047 1.00 0.00 O ATOM 254 CB ALA A 17 -1.847 -9.229 0.807 1.00 0.00 C ATOM 0 H ALA A 17 -1.454 -8.005 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.790 -7.481 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.848 -9.746 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.799 -8.717 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.706 -9.953 0.004 1.00 0.00 H new ATOM 260 N LEU A 18 1.312 -9.196 -0.137 1.00 0.00 N ATOM 261 CA LEU A 18 2.635 -9.879 -0.034 1.00 0.00 C ATOM 262 C LEU A 18 3.646 -8.977 0.678 1.00 0.00 C ATOM 263 O LEU A 18 4.659 -9.432 1.171 1.00 0.00 O ATOM 264 CB LEU A 18 3.067 -10.133 -1.478 1.00 0.00 C ATOM 265 CG LEU A 18 3.463 -11.601 -1.642 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.448 -11.972 -3.125 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.870 -11.815 -1.079 1.00 0.00 C ATOM 0 H LEU A 18 1.001 -8.991 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 18 2.576 -10.803 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.254 -9.886 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.907 -9.488 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 18 2.754 -12.230 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.730 -13.018 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.447 -11.819 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.156 -11.343 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.153 -12.861 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.577 -11.185 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.883 -11.551 -0.021 1.00 0.00 H new ATOM 279 N PHE A 19 3.381 -7.699 0.739 1.00 0.00 N ATOM 280 CA PHE A 19 4.332 -6.774 1.421 1.00 0.00 C ATOM 281 C PHE A 19 3.622 -6.027 2.553 1.00 0.00 C ATOM 282 O PHE A 19 4.178 -5.135 3.165 1.00 0.00 O ATOM 283 CB PHE A 19 4.786 -5.798 0.335 1.00 0.00 C ATOM 284 CG PHE A 19 5.164 -6.566 -0.909 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.179 -6.927 -1.834 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.500 -6.918 -1.136 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.527 -7.638 -2.988 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.849 -7.630 -2.290 1.00 0.00 C ATOM 289 CZ PHE A 19 5.863 -7.990 -3.215 1.00 0.00 C ATOM 0 H PHE A 19 2.550 -7.257 0.347 1.00 0.00 H new ATOM 0 HA PHE A 19 5.173 -7.303 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.987 -5.091 0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.637 -5.215 0.688 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.148 -6.657 -1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.261 -6.641 -0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.766 -7.915 -3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.879 -7.901 -2.466 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.133 -8.540 -4.105 1.00 0.00 H new ATOM 299 N ASP A 20 2.400 -6.383 2.837 1.00 0.00 N ATOM 300 CA ASP A 20 1.658 -5.692 3.930 1.00 0.00 C ATOM 301 C ASP A 20 2.339 -5.949 5.277 1.00 0.00 C ATOM 302 O ASP A 20 2.166 -6.988 5.883 1.00 0.00 O ATOM 303 CB ASP A 20 0.259 -6.308 3.911 1.00 0.00 C ATOM 304 CG ASP A 20 -0.708 -5.406 4.680 1.00 0.00 C ATOM 305 OD1 ASP A 20 -0.287 -4.828 5.669 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.852 -5.309 4.268 1.00 0.00 O ATOM 0 H ASP A 20 1.883 -7.122 2.360 1.00 0.00 H new ATOM 0 HA ASP A 20 1.629 -4.611 3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.082 -6.431 2.883 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.281 -7.301 4.360 1.00 0.00 H new ATOM 311 N LYS A 21 3.113 -5.011 5.749 1.00 0.00 N ATOM 312 CA LYS A 21 3.806 -5.203 7.057 1.00 0.00 C ATOM 313 C LYS A 21 2.819 -5.718 8.108 1.00 0.00 C ATOM 314 O LYS A 21 2.995 -6.779 8.671 1.00 0.00 O ATOM 315 CB LYS A 21 4.322 -3.815 7.438 1.00 0.00 C ATOM 316 CG LYS A 21 4.914 -3.861 8.848 1.00 0.00 C ATOM 317 CD LYS A 21 6.333 -3.288 8.825 1.00 0.00 C ATOM 318 CE LYS A 21 7.269 -4.209 9.611 1.00 0.00 C ATOM 319 NZ LYS A 21 6.756 -4.176 11.008 1.00 0.00 N ATOM 0 H LYS A 21 3.296 -4.120 5.287 1.00 0.00 H new ATOM 0 HA LYS A 21 4.612 -5.934 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.079 -3.488 6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.510 -3.089 7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.290 -3.288 9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.931 -4.888 9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.681 -3.191 7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.340 -2.288 9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.255 -5.222 9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.300 -3.860 9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.528 -4.405 11.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.389 -3.226 11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.992 -4.874 11.114 1.00 0.00 H new ATOM 333 N ASP A 22 1.780 -4.973 8.374 1.00 0.00 N ATOM 334 CA ASP A 22 0.784 -5.421 9.389 1.00 0.00 C ATOM 335 C ASP A 22 -0.104 -6.525 8.809 1.00 0.00 C ATOM 336 O ASP A 22 -0.997 -7.025 9.463 1.00 0.00 O ATOM 337 CB ASP A 22 -0.046 -4.176 9.705 1.00 0.00 C ATOM 338 CG ASP A 22 0.246 -3.718 11.136 1.00 0.00 C ATOM 339 OD1 ASP A 22 -0.194 -4.390 12.054 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.904 -2.702 11.288 1.00 0.00 O ATOM 0 H ASP A 22 1.578 -4.076 7.933 1.00 0.00 H new ATOM 0 HA ASP A 22 1.259 -5.832 10.280 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.192 -3.379 9.001 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.108 -4.395 9.591 1.00 0.00 H new ATOM 345 N ASN A 23 0.133 -6.907 7.584 1.00 0.00 N ATOM 346 CA ASN A 23 -0.698 -7.979 6.963 1.00 0.00 C ATOM 347 C ASN A 23 -2.177 -7.753 7.285 1.00 0.00 C ATOM 348 O ASN A 23 -2.946 -8.686 7.404 1.00 0.00 O ATOM 349 CB ASN A 23 -0.204 -9.280 7.595 1.00 0.00 C ATOM 350 CG ASN A 23 1.017 -9.791 6.825 1.00 0.00 C ATOM 351 OD1 ASN A 23 2.040 -10.081 7.411 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.950 -9.913 5.528 1.00 0.00 N ATOM 0 H ASN A 23 0.865 -6.524 6.986 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.608 -7.995 5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.056 -9.113 8.640 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.996 -10.028 7.579 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.757 -10.252 5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.090 -9.669 5.037 1.00 0.00 H new ATOM 359 N ASN A 24 -2.582 -6.520 7.426 1.00 0.00 N ATOM 360 CA ASN A 24 -4.012 -6.236 7.741 1.00 0.00 C ATOM 361 C ASN A 24 -4.737 -5.725 6.493 1.00 0.00 C ATOM 362 O ASN A 24 -5.931 -5.500 6.506 1.00 0.00 O ATOM 363 CB ASN A 24 -3.973 -5.153 8.820 1.00 0.00 C ATOM 364 CG ASN A 24 -3.884 -5.809 10.199 1.00 0.00 C ATOM 365 OD1 ASN A 24 -4.258 -6.953 10.366 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.400 -5.128 11.202 1.00 0.00 N ATOM 0 H ASN A 24 -1.985 -5.698 7.337 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.545 -7.126 8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.117 -4.498 8.661 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.866 -4.531 8.758 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.336 -5.556 12.126 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.086 -4.168 11.062 1.00 0.00 H new ATOM 373 N GLY A 25 -4.025 -5.540 5.415 1.00 0.00 N ATOM 374 CA GLY A 25 -4.673 -5.044 4.169 1.00 0.00 C ATOM 375 C GLY A 25 -4.124 -3.659 3.821 1.00 0.00 C ATOM 376 O GLY A 25 -4.626 -2.984 2.945 1.00 0.00 O ATOM 0 H GLY A 25 -3.022 -5.711 5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.486 -5.737 3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.753 -4.995 4.304 1.00 0.00 H new ATOM 380 N SER A 26 -3.096 -3.231 4.501 1.00 0.00 N ATOM 381 CA SER A 26 -2.515 -1.889 4.208 1.00 0.00 C ATOM 382 C SER A 26 -0.990 -1.982 4.115 1.00 0.00 C ATOM 383 O SER A 26 -0.346 -2.613 4.929 1.00 0.00 O ATOM 384 CB SER A 26 -2.928 -1.012 5.390 1.00 0.00 C ATOM 385 OG SER A 26 -2.526 -1.638 6.601 1.00 0.00 O ATOM 0 H SER A 26 -2.633 -3.751 5.246 1.00 0.00 H new ATOM 0 HA SER A 26 -2.867 -1.485 3.259 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.468 -0.027 5.306 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.007 -0.861 5.386 1.00 0.00 H new ATOM 0 HG SER A 26 -1.678 -2.109 6.460 1.00 0.00 H new ATOM 391 N ILE A 27 -0.407 -1.357 3.128 1.00 0.00 N ATOM 392 CA ILE A 27 1.076 -1.411 2.984 1.00 0.00 C ATOM 393 C ILE A 27 1.650 0.006 2.887 1.00 0.00 C ATOM 394 O ILE A 27 0.940 0.958 2.631 1.00 0.00 O ATOM 395 CB ILE A 27 1.320 -2.179 1.684 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.989 -1.281 0.490 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.428 -3.421 1.648 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.239 -2.045 -0.812 1.00 0.00 C ATOM 0 H ILE A 27 -0.893 -0.812 2.416 1.00 0.00 H new ATOM 0 HA ILE A 27 1.557 -1.890 3.837 1.00 0.00 H new ATOM 0 HB ILE A 27 2.366 -2.481 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.051 -0.960 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.602 -0.380 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.603 -3.968 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.663 -4.062 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.618 -3.119 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.003 -1.404 -1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.286 -2.344 -0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.607 -2.932 -0.840 1.00 0.00 H new ATOM 410 N SER A 28 2.931 0.151 3.084 1.00 0.00 N ATOM 411 CA SER A 28 3.549 1.505 2.996 1.00 0.00 C ATOM 412 C SER A 28 3.905 1.823 1.541 1.00 0.00 C ATOM 413 O SER A 28 4.089 0.938 0.731 1.00 0.00 O ATOM 414 CB SER A 28 4.812 1.420 3.852 1.00 0.00 C ATOM 415 OG SER A 28 5.050 2.681 4.462 1.00 0.00 O ATOM 0 H SER A 28 3.577 -0.608 3.302 1.00 0.00 H new ATOM 0 HA SER A 28 2.878 2.292 3.341 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.697 0.650 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.665 1.134 3.236 1.00 0.00 H new ATOM 0 HG SER A 28 4.898 2.611 5.428 1.00 0.00 H new ATOM 421 N SER A 29 4.001 3.079 1.204 1.00 0.00 N ATOM 422 CA SER A 29 4.344 3.447 -0.200 1.00 0.00 C ATOM 423 C SER A 29 5.573 2.663 -0.666 1.00 0.00 C ATOM 424 O SER A 29 5.573 2.060 -1.721 1.00 0.00 O ATOM 425 CB SER A 29 4.646 4.944 -0.155 1.00 0.00 C ATOM 426 OG SER A 29 5.807 5.212 -0.932 1.00 0.00 O ATOM 0 H SER A 29 3.857 3.865 1.837 1.00 0.00 H new ATOM 0 HA SER A 29 3.538 3.216 -0.897 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.798 5.510 -0.540 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.802 5.265 0.875 1.00 0.00 H new ATOM 0 HG SER A 29 5.598 5.096 -1.883 1.00 0.00 H new ATOM 432 N SER A 30 6.620 2.664 0.112 1.00 0.00 N ATOM 433 CA SER A 30 7.846 1.916 -0.288 1.00 0.00 C ATOM 434 C SER A 30 7.479 0.490 -0.709 1.00 0.00 C ATOM 435 O SER A 30 8.199 -0.156 -1.444 1.00 0.00 O ATOM 436 CB SER A 30 8.725 1.898 0.961 1.00 0.00 C ATOM 437 OG SER A 30 10.057 2.244 0.604 1.00 0.00 O ATOM 0 H SER A 30 6.680 3.150 1.007 1.00 0.00 H new ATOM 0 HA SER A 30 8.354 2.377 -1.135 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.340 2.601 1.700 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.704 0.909 1.420 1.00 0.00 H new ATOM 0 HG SER A 30 10.623 2.235 1.404 1.00 0.00 H new ATOM 443 N GLU A 31 6.363 -0.004 -0.249 1.00 0.00 N ATOM 444 CA GLU A 31 5.949 -1.386 -0.621 1.00 0.00 C ATOM 445 C GLU A 31 5.099 -1.359 -1.895 1.00 0.00 C ATOM 446 O GLU A 31 5.124 -2.277 -2.690 1.00 0.00 O ATOM 447 CB GLU A 31 5.122 -1.886 0.565 1.00 0.00 C ATOM 448 CG GLU A 31 5.893 -1.641 1.864 1.00 0.00 C ATOM 449 CD GLU A 31 5.138 -2.276 3.033 1.00 0.00 C ATOM 450 OE1 GLU A 31 4.077 -2.831 2.796 1.00 0.00 O ATOM 451 OE2 GLU A 31 5.632 -2.196 4.145 1.00 0.00 O ATOM 0 H GLU A 31 5.719 0.490 0.369 1.00 0.00 H new ATOM 0 HA GLU A 31 6.803 -2.032 -0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.162 -1.370 0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.909 -2.949 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.894 -2.065 1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.012 -0.571 2.032 1.00 0.00 H new ATOM 458 N LEU A 32 4.347 -0.311 -2.096 1.00 0.00 N ATOM 459 CA LEU A 32 3.499 -0.227 -3.319 1.00 0.00 C ATOM 460 C LEU A 32 4.371 -0.350 -4.572 1.00 0.00 C ATOM 461 O LEU A 32 4.071 -1.103 -5.477 1.00 0.00 O ATOM 462 CB LEU A 32 2.840 1.152 -3.256 1.00 0.00 C ATOM 463 CG LEU A 32 2.007 1.377 -4.517 1.00 0.00 C ATOM 464 CD1 LEU A 32 0.916 0.308 -4.607 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.358 2.762 -4.457 1.00 0.00 C ATOM 0 H LEU A 32 4.283 0.490 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 32 2.759 -1.026 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.207 1.224 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.601 1.927 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 32 2.651 1.313 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.322 0.469 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.376 -0.679 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.271 0.372 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.763 2.924 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.714 2.824 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.134 3.525 -4.393 1.00 0.00 H new ATOM 477 N ALA A 33 5.451 0.380 -4.630 1.00 0.00 N ATOM 478 CA ALA A 33 6.339 0.295 -5.825 1.00 0.00 C ATOM 479 C ALA A 33 6.649 -1.170 -6.137 1.00 0.00 C ATOM 480 O ALA A 33 6.676 -1.578 -7.281 1.00 0.00 O ATOM 481 CB ALA A 33 7.613 1.043 -5.428 1.00 0.00 C ATOM 0 H ALA A 33 5.757 1.029 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 33 5.881 0.723 -6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.319 1.025 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.367 2.076 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.062 0.561 -4.559 1.00 0.00 H new ATOM 487 N THR A 34 6.878 -1.966 -5.128 1.00 0.00 N ATOM 488 CA THR A 34 7.178 -3.405 -5.372 1.00 0.00 C ATOM 489 C THR A 34 5.957 -4.092 -5.987 1.00 0.00 C ATOM 490 O THR A 34 5.968 -4.484 -7.137 1.00 0.00 O ATOM 491 CB THR A 34 7.484 -3.990 -3.994 1.00 0.00 C ATOM 492 OG1 THR A 34 8.736 -3.498 -3.539 1.00 0.00 O ATOM 493 CG2 THR A 34 7.536 -5.514 -4.094 1.00 0.00 C ATOM 0 H THR A 34 6.870 -1.683 -4.148 1.00 0.00 H new ATOM 0 HA THR A 34 8.010 -3.544 -6.063 1.00 0.00 H new ATOM 0 HB THR A 34 6.705 -3.698 -3.290 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.932 -3.871 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.754 -5.936 -3.113 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.574 -5.889 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.317 -5.806 -4.796 1.00 0.00 H new ATOM 501 N VAL A 35 4.899 -4.234 -5.232 1.00 0.00 N ATOM 502 CA VAL A 35 3.678 -4.887 -5.782 1.00 0.00 C ATOM 503 C VAL A 35 3.401 -4.352 -7.188 1.00 0.00 C ATOM 504 O VAL A 35 2.874 -5.042 -8.040 1.00 0.00 O ATOM 505 CB VAL A 35 2.550 -4.492 -4.828 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.837 -5.053 -3.435 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.455 -2.967 -4.751 1.00 0.00 C ATOM 0 H VAL A 35 4.829 -3.927 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 35 3.781 -5.969 -5.858 1.00 0.00 H new ATOM 0 HB VAL A 35 1.608 -4.898 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.032 -4.771 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.903 -6.140 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.780 -4.649 -3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.651 -2.686 -4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.398 -2.562 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.248 -2.565 -5.743 1.00 0.00 H new ATOM 517 N MET A 36 3.761 -3.120 -7.434 1.00 0.00 N ATOM 518 CA MET A 36 3.529 -2.520 -8.778 1.00 0.00 C ATOM 519 C MET A 36 4.280 -3.313 -9.853 1.00 0.00 C ATOM 520 O MET A 36 3.685 -3.869 -10.754 1.00 0.00 O ATOM 521 CB MET A 36 4.081 -1.098 -8.670 1.00 0.00 C ATOM 522 CG MET A 36 3.320 -0.180 -9.628 1.00 0.00 C ATOM 523 SD MET A 36 1.584 -0.092 -9.126 1.00 0.00 S ATOM 524 CE MET A 36 0.887 -0.937 -10.566 1.00 0.00 C ATOM 0 H MET A 36 4.208 -2.501 -6.757 1.00 0.00 H new ATOM 0 HA MET A 36 2.477 -2.530 -9.061 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.982 -0.735 -7.647 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.144 -1.090 -8.910 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.762 0.816 -9.623 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.396 -0.557 -10.648 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.195 -1.011 -10.456 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.122 -0.372 -11.468 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.313 -1.937 -10.643 1.00 0.00 H new ATOM 534 N ARG A 37 5.582 -3.367 -9.767 1.00 0.00 N ATOM 535 CA ARG A 37 6.366 -4.122 -10.788 1.00 0.00 C ATOM 536 C ARG A 37 6.164 -5.631 -10.609 1.00 0.00 C ATOM 537 O ARG A 37 6.429 -6.412 -11.502 1.00 0.00 O ATOM 538 CB ARG A 37 7.824 -3.742 -10.528 1.00 0.00 C ATOM 539 CG ARG A 37 8.594 -3.735 -11.848 1.00 0.00 C ATOM 540 CD ARG A 37 10.089 -3.567 -11.567 1.00 0.00 C ATOM 541 NE ARG A 37 10.176 -2.404 -10.640 1.00 0.00 N ATOM 542 CZ ARG A 37 11.081 -2.385 -9.700 1.00 0.00 C ATOM 543 NH1 ARG A 37 11.017 -3.239 -8.715 1.00 0.00 N ATOM 544 NH2 ARG A 37 12.051 -1.513 -9.746 1.00 0.00 N ATOM 0 H ARG A 37 6.136 -2.922 -9.035 1.00 0.00 H new ATOM 0 HA ARG A 37 6.056 -3.881 -11.805 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.876 -2.759 -10.059 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.277 -4.450 -9.835 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.417 -4.665 -12.389 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.239 -2.924 -12.484 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.509 -4.465 -11.115 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.646 -3.382 -12.486 1.00 0.00 H new ATOM 0 HE ARG A 37 9.528 -1.623 -10.740 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.260 -3.921 -8.680 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.724 -3.224 -7.980 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.102 -0.847 -10.517 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.758 -1.498 -9.011 1.00 0.00 H new ATOM 558 N SER A 38 5.701 -6.049 -9.462 1.00 0.00 N ATOM 559 CA SER A 38 5.489 -7.504 -9.227 1.00 0.00 C ATOM 560 C SER A 38 4.326 -8.019 -10.077 1.00 0.00 C ATOM 561 O SER A 38 4.323 -9.151 -10.521 1.00 0.00 O ATOM 562 CB SER A 38 5.159 -7.623 -7.740 1.00 0.00 C ATOM 563 OG SER A 38 6.324 -8.023 -7.031 1.00 0.00 O ATOM 0 H SER A 38 5.460 -5.444 -8.677 1.00 0.00 H new ATOM 0 HA SER A 38 6.364 -8.094 -9.500 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.797 -6.668 -7.359 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.361 -8.350 -7.590 1.00 0.00 H new ATOM 0 HG SER A 38 6.116 -8.099 -6.076 1.00 0.00 H new ATOM 569 N LEU A 39 3.337 -7.201 -10.308 1.00 0.00 N ATOM 570 CA LEU A 39 2.178 -7.653 -11.130 1.00 0.00 C ATOM 571 C LEU A 39 2.635 -7.976 -12.555 1.00 0.00 C ATOM 572 O LEU A 39 2.068 -8.817 -13.223 1.00 0.00 O ATOM 573 CB LEU A 39 1.199 -6.476 -11.133 1.00 0.00 C ATOM 574 CG LEU A 39 0.405 -6.457 -9.824 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.716 -5.423 -9.923 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.205 -7.838 -9.571 1.00 0.00 C ATOM 0 H LEU A 39 3.280 -6.242 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 39 1.720 -8.557 -10.729 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.743 -5.539 -11.252 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.518 -6.560 -11.980 1.00 0.00 H new ATOM 0 HG LEU A 39 1.073 -6.198 -9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.282 -5.409 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.287 -4.437 -10.102 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.380 -5.684 -10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.769 -7.821 -8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.871 -8.098 -10.394 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.591 -8.580 -9.500 1.00 0.00 H new ATOM 588 N GLY A 40 3.659 -7.317 -13.025 1.00 0.00 N ATOM 589 CA GLY A 40 4.150 -7.592 -14.405 1.00 0.00 C ATOM 590 C GLY A 40 4.352 -6.275 -15.157 1.00 0.00 C ATOM 591 O GLY A 40 4.143 -6.194 -16.351 1.00 0.00 O ATOM 0 H GLY A 40 4.176 -6.601 -12.514 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.088 -8.145 -14.363 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.434 -8.219 -14.937 1.00 0.00 H new ATOM 595 N LEU A 41 4.760 -5.243 -14.471 1.00 0.00 N ATOM 596 CA LEU A 41 4.977 -3.934 -15.154 1.00 0.00 C ATOM 597 C LEU A 41 6.293 -3.307 -14.688 1.00 0.00 C ATOM 598 O LEU A 41 6.992 -3.855 -13.859 1.00 0.00 O ATOM 599 CB LEU A 41 3.791 -3.065 -14.738 1.00 0.00 C ATOM 600 CG LEU A 41 3.565 -3.194 -13.231 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.389 -1.803 -12.621 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.305 -4.024 -12.974 1.00 0.00 C ATOM 0 H LEU A 41 4.952 -5.248 -13.469 1.00 0.00 H new ATOM 0 HA LEU A 41 5.042 -4.040 -16.237 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.980 -2.024 -15.000 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.895 -3.372 -15.278 1.00 0.00 H new ATOM 0 HG LEU A 41 4.425 -3.685 -12.776 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.228 -1.894 -11.547 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.285 -1.209 -12.804 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.529 -1.312 -13.076 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.143 -4.117 -11.900 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.446 -3.532 -13.429 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.428 -5.016 -13.409 1.00 0.00 H new ATOM 614 N SER A 42 6.634 -2.163 -15.214 1.00 0.00 N ATOM 615 CA SER A 42 7.906 -1.503 -14.799 1.00 0.00 C ATOM 616 C SER A 42 7.954 -0.068 -15.331 1.00 0.00 C ATOM 617 O SER A 42 8.487 0.183 -16.394 1.00 0.00 O ATOM 618 CB SER A 42 9.013 -2.345 -15.430 1.00 0.00 C ATOM 619 OG SER A 42 8.597 -2.782 -16.717 1.00 0.00 O ATOM 0 H SER A 42 6.089 -1.657 -15.912 1.00 0.00 H new ATOM 0 HA SER A 42 8.007 -1.444 -13.715 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.929 -1.760 -15.511 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.238 -3.204 -14.797 1.00 0.00 H new ATOM 0 HG SER A 42 8.332 -2.007 -17.256 1.00 0.00 H new ATOM 625 N PRO A 43 7.392 0.827 -14.566 1.00 0.00 N ATOM 626 CA PRO A 43 7.368 2.258 -14.957 1.00 0.00 C ATOM 627 C PRO A 43 8.765 2.871 -14.828 1.00 0.00 C ATOM 628 O PRO A 43 9.760 2.174 -14.818 1.00 0.00 O ATOM 629 CB PRO A 43 6.400 2.885 -13.957 1.00 0.00 C ATOM 630 CG PRO A 43 6.435 1.980 -12.766 1.00 0.00 C ATOM 631 CD PRO A 43 6.734 0.594 -13.277 1.00 0.00 C ATOM 0 HA PRO A 43 7.064 2.416 -15.992 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.706 3.897 -13.693 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.394 2.954 -14.371 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.198 2.303 -12.058 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.482 1.999 -12.238 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.381 0.047 -12.592 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.823 0.006 -13.394 1.00 0.00 H new ATOM 639 N SER A 44 8.849 4.170 -14.731 1.00 0.00 N ATOM 640 CA SER A 44 10.184 4.822 -14.604 1.00 0.00 C ATOM 641 C SER A 44 10.206 5.753 -13.389 1.00 0.00 C ATOM 642 O SER A 44 9.179 6.090 -12.833 1.00 0.00 O ATOM 643 CB SER A 44 10.358 5.621 -15.895 1.00 0.00 C ATOM 644 OG SER A 44 9.600 5.010 -16.930 1.00 0.00 O ATOM 0 H SER A 44 8.053 4.807 -14.734 1.00 0.00 H new ATOM 0 HA SER A 44 10.985 4.097 -14.462 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.030 6.650 -15.747 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.411 5.659 -16.174 1.00 0.00 H new ATOM 0 HG SER A 44 9.708 5.521 -17.759 1.00 0.00 H new ATOM 650 N GLU A 45 11.370 6.174 -12.975 1.00 0.00 N ATOM 651 CA GLU A 45 11.457 7.084 -11.796 1.00 0.00 C ATOM 652 C GLU A 45 10.373 8.161 -11.881 1.00 0.00 C ATOM 653 O GLU A 45 9.484 8.227 -11.055 1.00 0.00 O ATOM 654 CB GLU A 45 12.848 7.714 -11.885 1.00 0.00 C ATOM 655 CG GLU A 45 13.390 7.955 -10.475 1.00 0.00 C ATOM 656 CD GLU A 45 13.694 9.443 -10.292 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.490 9.964 -11.056 1.00 0.00 O ATOM 658 OE2 GLU A 45 13.125 10.037 -9.391 1.00 0.00 O ATOM 0 H GLU A 45 12.264 5.928 -13.401 1.00 0.00 H new ATOM 0 HA GLU A 45 11.308 6.557 -10.854 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.521 7.059 -12.438 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.798 8.655 -12.433 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.661 7.628 -9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.293 7.366 -10.316 1.00 0.00 H new ATOM 665 N ALA A 46 10.439 9.006 -12.873 1.00 0.00 N ATOM 666 CA ALA A 46 9.409 10.077 -13.010 1.00 0.00 C ATOM 667 C ALA A 46 8.016 9.503 -12.741 1.00 0.00 C ATOM 668 O ALA A 46 7.265 10.021 -11.938 1.00 0.00 O ATOM 669 CB ALA A 46 9.524 10.555 -14.457 1.00 0.00 C ATOM 0 H ALA A 46 11.160 9.002 -13.594 1.00 0.00 H new ATOM 0 HA ALA A 46 9.560 10.891 -12.301 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.796 11.346 -14.638 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.529 10.939 -14.635 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.329 9.722 -15.132 1.00 0.00 H new ATOM 675 N GLU A 47 7.667 8.435 -13.405 1.00 0.00 N ATOM 676 CA GLU A 47 6.323 7.828 -13.185 1.00 0.00 C ATOM 677 C GLU A 47 6.112 7.547 -11.695 1.00 0.00 C ATOM 678 O GLU A 47 5.030 7.715 -11.169 1.00 0.00 O ATOM 679 CB GLU A 47 6.344 6.521 -13.979 1.00 0.00 C ATOM 680 CG GLU A 47 5.042 6.384 -14.771 1.00 0.00 C ATOM 681 CD GLU A 47 5.050 7.370 -15.940 1.00 0.00 C ATOM 682 OE1 GLU A 47 6.089 7.961 -16.184 1.00 0.00 O ATOM 683 OE2 GLU A 47 4.016 7.518 -16.572 1.00 0.00 O ATOM 0 H GLU A 47 8.253 7.957 -14.089 1.00 0.00 H new ATOM 0 HA GLU A 47 5.514 8.485 -13.504 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.197 6.509 -14.657 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.462 5.674 -13.303 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.935 5.365 -15.142 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.187 6.579 -14.123 1.00 0.00 H new ATOM 690 N VAL A 48 7.140 7.124 -11.010 1.00 0.00 N ATOM 691 CA VAL A 48 6.999 6.835 -9.554 1.00 0.00 C ATOM 692 C VAL A 48 6.744 8.133 -8.783 1.00 0.00 C ATOM 693 O VAL A 48 5.819 8.230 -8.000 1.00 0.00 O ATOM 694 CB VAL A 48 8.338 6.222 -9.141 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.192 5.554 -7.772 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.759 5.176 -10.174 1.00 0.00 C ATOM 0 H VAL A 48 8.071 6.966 -11.396 1.00 0.00 H new ATOM 0 HA VAL A 48 6.163 6.168 -9.343 1.00 0.00 H new ATOM 0 HB VAL A 48 9.094 7.005 -9.086 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.146 5.117 -7.477 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.890 6.298 -7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.436 4.771 -7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.713 4.738 -9.881 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.002 4.393 -10.228 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.862 5.650 -11.150 1.00 0.00 H new ATOM 706 N ASN A 49 7.555 9.132 -8.999 1.00 0.00 N ATOM 707 CA ASN A 49 7.357 10.423 -8.278 1.00 0.00 C ATOM 708 C ASN A 49 5.880 10.823 -8.308 1.00 0.00 C ATOM 709 O ASN A 49 5.287 11.121 -7.290 1.00 0.00 O ATOM 710 CB ASN A 49 8.203 11.439 -9.047 1.00 0.00 C ATOM 711 CG ASN A 49 8.202 12.774 -8.301 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.982 12.815 -7.105 1.00 0.00 O ATOM 713 ND2 ASN A 49 8.439 13.875 -8.957 1.00 0.00 N ATOM 0 H ASN A 49 8.346 9.111 -9.643 1.00 0.00 H new ATOM 0 HA ASN A 49 7.648 10.360 -7.229 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.223 11.071 -9.154 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.805 11.572 -10.053 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.440 14.770 -8.468 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.624 13.842 -9.960 1.00 0.00 H new ATOM 720 N ASP A 50 5.280 10.829 -9.467 1.00 0.00 N ATOM 721 CA ASP A 50 3.841 11.208 -9.560 1.00 0.00 C ATOM 722 C ASP A 50 2.966 10.111 -8.948 1.00 0.00 C ATOM 723 O ASP A 50 1.904 10.373 -8.419 1.00 0.00 O ATOM 724 CB ASP A 50 3.563 11.344 -11.057 1.00 0.00 C ATOM 725 CG ASP A 50 2.817 12.653 -11.321 1.00 0.00 C ATOM 726 OD1 ASP A 50 3.470 13.681 -11.389 1.00 0.00 O ATOM 727 OD2 ASP A 50 1.605 12.604 -11.452 1.00 0.00 O ATOM 0 H ASP A 50 5.724 10.588 -10.353 1.00 0.00 H new ATOM 0 HA ASP A 50 3.620 12.129 -9.020 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.500 11.328 -11.614 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.970 10.499 -11.406 1.00 0.00 H new ATOM 732 N LEU A 51 3.403 8.884 -9.016 1.00 0.00 N ATOM 733 CA LEU A 51 2.596 7.771 -8.438 1.00 0.00 C ATOM 734 C LEU A 51 2.321 8.033 -6.954 1.00 0.00 C ATOM 735 O LEU A 51 1.193 7.993 -6.506 1.00 0.00 O ATOM 736 CB LEU A 51 3.463 6.523 -8.610 1.00 0.00 C ATOM 737 CG LEU A 51 2.773 5.550 -9.568 1.00 0.00 C ATOM 738 CD1 LEU A 51 2.684 6.180 -10.959 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.581 4.254 -9.647 1.00 0.00 C ATOM 0 H LEU A 51 4.284 8.603 -9.447 1.00 0.00 H new ATOM 0 HA LEU A 51 1.628 7.665 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.443 6.799 -8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.626 6.045 -7.644 1.00 0.00 H new ATOM 0 HG LEU A 51 1.769 5.332 -9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.192 5.487 -11.642 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.109 7.104 -10.904 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.687 6.399 -11.324 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.090 3.560 -10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.585 4.473 -10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.645 3.804 -8.656 1.00 0.00 H new ATOM 751 N MET A 52 3.345 8.302 -6.190 1.00 0.00 N ATOM 752 CA MET A 52 3.141 8.567 -4.737 1.00 0.00 C ATOM 753 C MET A 52 2.579 9.976 -4.530 1.00 0.00 C ATOM 754 O MET A 52 1.629 10.175 -3.798 1.00 0.00 O ATOM 755 CB MET A 52 4.532 8.446 -4.114 1.00 0.00 C ATOM 756 CG MET A 52 4.558 7.261 -3.147 1.00 0.00 C ATOM 757 SD MET A 52 5.478 5.894 -3.894 1.00 0.00 S ATOM 758 CE MET A 52 4.083 4.758 -4.086 1.00 0.00 C ATOM 0 H MET A 52 4.313 8.350 -6.509 1.00 0.00 H new ATOM 0 HA MET A 52 2.431 7.874 -4.286 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.281 8.309 -4.894 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.787 9.365 -3.586 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.023 7.556 -2.206 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.541 6.945 -2.915 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.446 3.792 -4.438 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.584 4.629 -3.126 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.378 5.167 -4.810 1.00 0.00 H new ATOM 768 N ASN A 53 3.158 10.956 -5.168 1.00 0.00 N ATOM 769 CA ASN A 53 2.657 12.351 -5.006 1.00 0.00 C ATOM 770 C ASN A 53 1.136 12.389 -5.172 1.00 0.00 C ATOM 771 O ASN A 53 0.467 13.265 -4.661 1.00 0.00 O ATOM 772 CB ASN A 53 3.338 13.147 -6.120 1.00 0.00 C ATOM 773 CG ASN A 53 4.484 13.972 -5.530 1.00 0.00 C ATOM 774 OD1 ASN A 53 5.549 13.448 -5.263 1.00 0.00 O ATOM 775 ND2 ASN A 53 4.312 15.246 -5.316 1.00 0.00 N ATOM 0 H ASN A 53 3.956 10.851 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 53 2.879 12.758 -4.019 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.719 12.470 -6.885 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.616 13.803 -6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.071 15.804 -4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.419 15.685 -5.540 1.00 0.00 H new ATOM 782 N GLU A 54 0.583 11.443 -5.883 1.00 0.00 N ATOM 783 CA GLU A 54 -0.895 11.426 -6.080 1.00 0.00 C ATOM 784 C GLU A 54 -1.577 10.711 -4.911 1.00 0.00 C ATOM 785 O GLU A 54 -2.781 10.558 -4.882 1.00 0.00 O ATOM 786 CB GLU A 54 -1.111 10.653 -7.382 1.00 0.00 C ATOM 787 CG GLU A 54 -2.446 11.066 -8.006 1.00 0.00 C ATOM 788 CD GLU A 54 -2.459 10.677 -9.485 1.00 0.00 C ATOM 789 OE1 GLU A 54 -2.042 11.489 -10.295 1.00 0.00 O ATOM 790 OE2 GLU A 54 -2.887 9.574 -9.784 1.00 0.00 O ATOM 0 H GLU A 54 1.090 10.682 -6.335 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.317 12.430 -6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.295 10.854 -8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.105 9.581 -7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.270 10.580 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.592 12.141 -7.900 1.00 0.00 H new ATOM 797 N ILE A 55 -0.814 10.271 -3.946 1.00 0.00 N ATOM 798 CA ILE A 55 -1.420 9.567 -2.780 1.00 0.00 C ATOM 799 C ILE A 55 -0.619 9.862 -1.510 1.00 0.00 C ATOM 800 O ILE A 55 -1.173 10.158 -0.470 1.00 0.00 O ATOM 801 CB ILE A 55 -1.341 8.081 -3.131 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.735 7.248 -1.908 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.088 7.730 -3.546 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.387 5.779 -2.157 1.00 0.00 C ATOM 0 H ILE A 55 0.201 10.369 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.444 9.887 -2.590 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.022 7.865 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.212 7.612 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.802 7.352 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.144 6.671 -3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.371 8.324 -4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.769 7.945 -2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.667 5.186 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.930 5.420 -3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.315 5.683 -2.331 1.00 0.00 H new ATOM 816 N ASP A 56 0.682 9.784 -1.585 1.00 0.00 N ATOM 817 CA ASP A 56 1.516 10.061 -0.382 1.00 0.00 C ATOM 818 C ASP A 56 1.087 11.380 0.269 1.00 0.00 C ATOM 819 O ASP A 56 0.976 12.398 -0.385 1.00 0.00 O ATOM 820 CB ASP A 56 2.948 10.163 -0.907 1.00 0.00 C ATOM 821 CG ASP A 56 3.932 9.891 0.232 1.00 0.00 C ATOM 822 OD1 ASP A 56 3.921 10.645 1.190 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.680 8.932 0.126 1.00 0.00 O ATOM 0 H ASP A 56 1.203 9.540 -2.428 1.00 0.00 H new ATOM 0 HA ASP A 56 1.415 9.285 0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.102 9.446 -1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.124 11.155 -1.324 1.00 0.00 H new ATOM 828 N VAL A 57 0.845 11.369 1.550 1.00 0.00 N ATOM 829 CA VAL A 57 0.423 12.622 2.240 1.00 0.00 C ATOM 830 C VAL A 57 1.055 12.698 3.632 1.00 0.00 C ATOM 831 O VAL A 57 0.635 13.466 4.475 1.00 0.00 O ATOM 832 CB VAL A 57 -1.098 12.522 2.347 1.00 0.00 C ATOM 833 CG1 VAL A 57 -1.470 11.480 3.404 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.670 13.883 2.752 1.00 0.00 C ATOM 0 H VAL A 57 0.921 10.547 2.150 1.00 0.00 H new ATOM 0 HA VAL A 57 0.736 13.516 1.700 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.510 12.224 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.555 11.410 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.062 10.510 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.058 11.777 4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.755 13.813 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.256 14.179 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.406 14.627 2.000 1.00 0.00 H new ATOM 844 N ASP A 58 2.063 11.907 3.880 1.00 0.00 N ATOM 845 CA ASP A 58 2.722 11.936 5.218 1.00 0.00 C ATOM 846 C ASP A 58 4.005 11.102 5.194 1.00 0.00 C ATOM 847 O ASP A 58 4.263 10.315 6.083 1.00 0.00 O ATOM 848 CB ASP A 58 1.700 11.320 6.175 1.00 0.00 C ATOM 849 CG ASP A 58 1.414 12.298 7.316 1.00 0.00 C ATOM 850 OD1 ASP A 58 2.220 12.363 8.230 1.00 0.00 O ATOM 851 OD2 ASP A 58 0.396 12.967 7.256 1.00 0.00 O ATOM 0 H ASP A 58 2.459 11.242 3.215 1.00 0.00 H new ATOM 0 HA ASP A 58 3.005 12.945 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.779 11.089 5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.081 10.380 6.575 1.00 0.00 H new ATOM 856 N GLY A 59 4.812 11.267 4.182 1.00 0.00 N ATOM 857 CA GLY A 59 6.078 10.484 4.103 1.00 0.00 C ATOM 858 C GLY A 59 5.756 8.989 4.107 1.00 0.00 C ATOM 859 O GLY A 59 5.675 8.358 3.073 1.00 0.00 O ATOM 0 H GLY A 59 4.650 11.910 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.624 10.746 3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.723 10.730 4.947 1.00 0.00 H new ATOM 863 N ASN A 60 5.571 8.417 5.266 1.00 0.00 N ATOM 864 CA ASN A 60 5.254 6.960 5.335 1.00 0.00 C ATOM 865 C ASN A 60 3.769 6.758 5.649 1.00 0.00 C ATOM 866 O ASN A 60 3.389 6.531 6.780 1.00 0.00 O ATOM 867 CB ASN A 60 6.121 6.420 6.473 1.00 0.00 C ATOM 868 CG ASN A 60 6.211 4.897 6.368 1.00 0.00 C ATOM 869 OD1 ASN A 60 5.897 4.192 7.307 1.00 0.00 O ATOM 870 ND2 ASN A 60 6.631 4.356 5.258 1.00 0.00 N ATOM 0 H ASN A 60 5.625 8.893 6.166 1.00 0.00 H new ATOM 0 HA ASN A 60 5.453 6.448 4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.118 6.858 6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.695 6.704 7.435 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.696 3.341 5.178 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.894 4.948 4.470 1.00 0.00 H new ATOM 877 N HIS A 61 2.928 6.839 4.655 1.00 0.00 N ATOM 878 CA HIS A 61 1.468 6.651 4.897 1.00 0.00 C ATOM 879 C HIS A 61 1.086 5.179 4.721 1.00 0.00 C ATOM 880 O HIS A 61 1.829 4.398 4.159 1.00 0.00 O ATOM 881 CB HIS A 61 0.777 7.514 3.840 1.00 0.00 C ATOM 882 CG HIS A 61 0.942 6.879 2.487 1.00 0.00 C ATOM 883 ND1 HIS A 61 1.888 5.896 2.242 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.290 7.075 1.295 1.00 0.00 C ATOM 885 CE1 HIS A 61 1.780 5.541 0.949 1.00 0.00 C ATOM 886 NE2 HIS A 61 0.820 6.230 0.326 1.00 0.00 N ATOM 0 H HIS A 61 3.187 7.027 3.687 1.00 0.00 H new ATOM 0 HA HIS A 61 1.178 6.934 5.909 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.282 7.620 4.077 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.205 8.517 3.837 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.547 5.512 2.919 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.513 7.779 1.134 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.394 4.791 0.473 1.00 0.00 H new ATOM 894 N GLN A 62 -0.067 4.793 5.196 1.00 0.00 N ATOM 895 CA GLN A 62 -0.495 3.372 5.054 1.00 0.00 C ATOM 896 C GLN A 62 -1.416 3.219 3.840 1.00 0.00 C ATOM 897 O GLN A 62 -2.563 3.619 3.864 1.00 0.00 O ATOM 898 CB GLN A 62 -1.250 3.054 6.345 1.00 0.00 C ATOM 899 CG GLN A 62 -2.511 3.918 6.425 1.00 0.00 C ATOM 900 CD GLN A 62 -2.682 4.440 7.852 1.00 0.00 C ATOM 901 OE1 GLN A 62 -3.647 4.118 8.518 1.00 0.00 O ATOM 902 NE2 GLN A 62 -1.781 5.239 8.355 1.00 0.00 N ATOM 0 H GLN A 62 -0.731 5.400 5.676 1.00 0.00 H new ATOM 0 HA GLN A 62 0.348 2.699 4.901 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.518 1.998 6.371 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.612 3.243 7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.438 4.752 5.728 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.384 3.334 6.133 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.971 5.510 7.797 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.887 5.593 9.306 1.00 0.00 H new ATOM 911 N ILE A 63 -0.921 2.642 2.779 1.00 0.00 N ATOM 912 CA ILE A 63 -1.768 2.464 1.565 1.00 0.00 C ATOM 913 C ILE A 63 -2.800 1.357 1.794 1.00 0.00 C ATOM 914 O ILE A 63 -2.603 0.469 2.598 1.00 0.00 O ATOM 915 CB ILE A 63 -0.793 2.065 0.457 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.203 3.202 0.221 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.569 1.793 -0.833 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.216 2.780 -0.843 1.00 0.00 C ATOM 0 H ILE A 63 0.032 2.287 2.700 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.324 3.368 1.315 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.255 1.165 0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.324 4.101 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.717 3.448 1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.874 1.509 -1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.280 0.983 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.107 2.693 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.926 3.590 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.751 1.893 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.694 2.556 -1.773 1.00 0.00 H new ATOM 930 N GLU A 64 -3.897 1.403 1.089 1.00 0.00 N ATOM 931 CA GLU A 64 -4.939 0.351 1.262 1.00 0.00 C ATOM 932 C GLU A 64 -5.163 -0.389 -0.059 1.00 0.00 C ATOM 933 O GLU A 64 -5.314 0.216 -1.101 1.00 0.00 O ATOM 934 CB GLU A 64 -6.203 1.109 1.674 1.00 0.00 C ATOM 935 CG GLU A 64 -6.185 1.349 3.184 1.00 0.00 C ATOM 936 CD GLU A 64 -7.551 0.994 3.774 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.535 1.548 3.313 1.00 0.00 O ATOM 938 OE2 GLU A 64 -7.591 0.174 4.676 1.00 0.00 O ATOM 0 H GLU A 64 -4.117 2.123 0.401 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.654 -0.397 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.258 2.060 1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.089 0.538 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.407 0.744 3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.946 2.391 3.394 1.00 0.00 H new ATOM 945 N PHE A 65 -5.181 -1.694 -0.026 1.00 0.00 N ATOM 946 CA PHE A 65 -5.391 -2.468 -1.283 1.00 0.00 C ATOM 947 C PHE A 65 -6.499 -1.824 -2.122 1.00 0.00 C ATOM 948 O PHE A 65 -6.365 -1.656 -3.319 1.00 0.00 O ATOM 949 CB PHE A 65 -5.810 -3.864 -0.825 1.00 0.00 C ATOM 950 CG PHE A 65 -5.875 -4.784 -2.019 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.793 -4.860 -2.905 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.018 -5.563 -2.242 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.855 -5.713 -4.014 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.079 -6.415 -3.350 1.00 0.00 C ATOM 955 CZ PHE A 65 -5.997 -6.491 -4.236 1.00 0.00 C ATOM 0 H PHE A 65 -5.060 -2.257 0.816 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.496 -2.495 -1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.098 -4.248 -0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.781 -3.821 -0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.911 -4.261 -2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.852 -5.506 -1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.021 -5.770 -4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.961 -7.014 -3.522 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.044 -7.150 -5.090 1.00 0.00 H new ATOM 965 N SER A 66 -7.590 -1.461 -1.506 1.00 0.00 N ATOM 966 CA SER A 66 -8.702 -0.829 -2.271 1.00 0.00 C ATOM 967 C SER A 66 -8.189 0.400 -3.027 1.00 0.00 C ATOM 968 O SER A 66 -7.959 0.356 -4.219 1.00 0.00 O ATOM 969 CB SER A 66 -9.727 -0.419 -1.215 1.00 0.00 C ATOM 970 OG SER A 66 -10.662 -1.475 -1.035 1.00 0.00 O ATOM 0 H SER A 66 -7.760 -1.574 -0.507 1.00 0.00 H new ATOM 0 HA SER A 66 -9.130 -1.504 -3.012 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.227 -0.196 -0.273 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.242 0.490 -1.525 1.00 0.00 H new ATOM 0 HG SER A 66 -11.321 -1.217 -0.357 1.00 0.00 H new ATOM 976 N GLU A 67 -8.006 1.496 -2.342 1.00 0.00 N ATOM 977 CA GLU A 67 -7.506 2.725 -3.023 1.00 0.00 C ATOM 978 C GLU A 67 -6.333 2.378 -3.944 1.00 0.00 C ATOM 979 O GLU A 67 -6.274 2.809 -5.079 1.00 0.00 O ATOM 980 CB GLU A 67 -7.046 3.644 -1.889 1.00 0.00 C ATOM 981 CG GLU A 67 -6.150 4.749 -2.453 1.00 0.00 C ATOM 982 CD GLU A 67 -4.735 4.599 -1.891 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.455 3.561 -1.313 1.00 0.00 O ATOM 984 OE2 GLU A 67 -3.956 5.524 -2.046 1.00 0.00 O ATOM 0 H GLU A 67 -8.181 1.594 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.269 3.194 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.910 4.082 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.503 3.069 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.128 4.693 -3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.554 5.727 -2.192 1.00 0.00 H new ATOM 991 N PHE A 68 -5.402 1.600 -3.466 1.00 0.00 N ATOM 992 CA PHE A 68 -4.234 1.223 -4.314 1.00 0.00 C ATOM 993 C PHE A 68 -4.698 0.883 -5.732 1.00 0.00 C ATOM 994 O PHE A 68 -4.318 1.525 -6.691 1.00 0.00 O ATOM 995 CB PHE A 68 -3.634 -0.008 -3.634 1.00 0.00 C ATOM 996 CG PHE A 68 -2.682 -0.697 -4.583 1.00 0.00 C ATOM 997 CD1 PHE A 68 -2.018 0.041 -5.570 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.462 -2.076 -4.474 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.136 -0.600 -6.449 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.580 -2.716 -5.353 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.917 -1.979 -6.340 1.00 0.00 C ATOM 0 H PHE A 68 -5.399 1.208 -2.524 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.509 2.032 -4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.109 0.286 -2.725 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.427 -0.694 -3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.186 1.105 -5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.973 -2.646 -3.712 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.625 -0.031 -7.211 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.411 -3.779 -5.269 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.237 -2.473 -7.018 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.515 -0.124 -5.873 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.003 -0.507 -7.229 1.00 0.00 C ATOM 1013 C LEU A 69 -7.040 0.504 -7.725 1.00 0.00 C ATOM 1014 O LEU A 69 -6.968 0.986 -8.838 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.640 -1.886 -7.043 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.589 -2.973 -7.278 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.303 -2.619 -6.528 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.120 -4.313 -6.764 1.00 0.00 C ATOM 0 H LEU A 69 -5.866 -0.699 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.202 -0.524 -7.968 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.051 -1.975 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.469 -2.011 -7.739 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.378 -3.045 -8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.557 -3.396 -6.698 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.922 -1.664 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.513 -2.545 -5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.373 -5.089 -6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.331 -4.236 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.035 -4.570 -7.297 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.004 0.828 -6.907 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.044 1.809 -7.334 1.00 0.00 C ATOM 1032 C ALA A 70 -8.391 2.990 -8.057 1.00 0.00 C ATOM 1033 O ALA A 70 -9.003 3.644 -8.878 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.707 2.272 -6.036 1.00 0.00 C ATOM 0 H ALA A 70 -8.117 0.457 -5.964 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.765 1.374 -8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.487 2.998 -6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.147 1.415 -5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.960 2.733 -5.390 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.152 3.269 -7.757 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.460 4.408 -8.427 1.00 0.00 C ATOM 1042 C LEU A 71 -5.476 3.884 -9.476 1.00 0.00 C ATOM 1043 O LEU A 71 -5.384 4.406 -10.570 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.715 5.133 -7.306 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.643 6.158 -6.654 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.873 5.446 -6.089 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.901 6.868 -5.519 1.00 0.00 C ATOM 0 H LEU A 71 -6.589 2.758 -7.077 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.156 5.067 -8.946 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.369 4.415 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.831 5.630 -7.705 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.956 6.890 -7.399 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.535 6.177 -5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.402 4.939 -6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.560 4.714 -5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.562 7.599 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.588 6.136 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.023 7.376 -5.920 1.00 0.00 H new ATOM 1059 N MET A 72 -4.738 2.858 -9.151 1.00 0.00 N ATOM 1060 CA MET A 72 -3.760 2.302 -10.131 1.00 0.00 C ATOM 1061 C MET A 72 -4.403 2.197 -11.517 1.00 0.00 C ATOM 1062 O MET A 72 -3.731 2.233 -12.528 1.00 0.00 O ATOM 1063 CB MET A 72 -3.409 0.914 -9.595 1.00 0.00 C ATOM 1064 CG MET A 72 -1.923 0.868 -9.233 1.00 0.00 C ATOM 1065 SD MET A 72 -1.532 2.235 -8.114 1.00 0.00 S ATOM 1066 CE MET A 72 -0.485 3.171 -9.257 1.00 0.00 C ATOM 0 H MET A 72 -4.769 2.380 -8.250 1.00 0.00 H new ATOM 0 HA MET A 72 -2.877 2.932 -10.238 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.015 0.687 -8.718 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.636 0.155 -10.344 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.682 -0.084 -8.759 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.316 0.938 -10.135 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.665 4.238 -9.125 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.563 2.952 -9.053 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.722 2.887 -10.282 1.00 0.00 H new ATOM 1076 N SER A 73 -5.700 2.064 -11.572 1.00 0.00 N ATOM 1077 CA SER A 73 -6.384 1.956 -12.893 1.00 0.00 C ATOM 1078 C SER A 73 -5.858 3.029 -13.850 1.00 0.00 C ATOM 1079 O SER A 73 -5.926 2.886 -15.054 1.00 0.00 O ATOM 1080 CB SER A 73 -7.864 2.184 -12.592 1.00 0.00 C ATOM 1081 OG SER A 73 -8.056 3.528 -12.168 1.00 0.00 O ATOM 0 H SER A 73 -6.316 2.025 -10.760 1.00 0.00 H new ATOM 0 HA SER A 73 -6.210 0.992 -13.371 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.463 1.982 -13.480 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.200 1.495 -11.817 1.00 0.00 H new ATOM 0 HG SER A 73 -9.005 3.678 -11.976 1.00 0.00 H new ATOM 1087 N ARG A 74 -5.336 4.103 -13.323 1.00 0.00 N ATOM 1088 CA ARG A 74 -4.807 5.183 -14.204 1.00 0.00 C ATOM 1089 C ARG A 74 -4.011 4.578 -15.364 1.00 0.00 C ATOM 1090 O ARG A 74 -4.260 4.869 -16.517 1.00 0.00 O ATOM 1091 CB ARG A 74 -3.894 6.016 -13.304 1.00 0.00 C ATOM 1092 CG ARG A 74 -3.037 6.947 -14.165 1.00 0.00 C ATOM 1093 CD ARG A 74 -3.061 8.358 -13.573 1.00 0.00 C ATOM 1094 NE ARG A 74 -2.745 9.259 -14.715 1.00 0.00 N ATOM 1095 CZ ARG A 74 -2.398 10.496 -14.493 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -1.389 10.760 -13.707 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -3.058 11.472 -15.056 1.00 0.00 N ATOM 0 H ARG A 74 -5.253 4.279 -12.322 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.603 5.783 -14.645 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.491 6.599 -12.603 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.255 5.361 -12.711 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.013 6.578 -14.210 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.415 6.964 -15.187 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.036 8.590 -13.145 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.328 8.463 -12.773 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.800 8.909 -15.671 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.872 9.998 -13.267 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.117 11.728 -13.533 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.846 11.267 -15.670 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.785 12.439 -14.881 1.00 0.00 H new ATOM 1111 N GLN A 75 -3.056 3.740 -15.067 1.00 0.00 N ATOM 1112 CA GLN A 75 -2.246 3.118 -16.154 1.00 0.00 C ATOM 1113 C GLN A 75 -1.409 1.963 -15.595 1.00 0.00 C ATOM 1114 O GLN A 75 -0.326 2.160 -15.082 1.00 0.00 O ATOM 1115 CB GLN A 75 -1.340 4.239 -16.664 1.00 0.00 C ATOM 1116 CG GLN A 75 -1.464 4.345 -18.184 1.00 0.00 C ATOM 1117 CD GLN A 75 -1.065 5.752 -18.634 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -1.571 6.731 -18.122 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -0.171 5.895 -19.574 1.00 0.00 N ATOM 0 H GLN A 75 -2.801 3.459 -14.120 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.868 2.704 -16.948 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.618 5.185 -16.199 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.305 4.039 -16.386 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.825 3.604 -18.664 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.487 4.130 -18.491 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.253 5.073 -20.003 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.103 6.829 -19.879 1.00 0.00 H new ATOM 1128 N LEU A 76 -1.905 0.759 -15.690 1.00 0.00 N ATOM 1129 CA LEU A 76 -1.138 -0.405 -15.165 1.00 0.00 C ATOM 1130 C LEU A 76 -0.901 -1.429 -16.278 1.00 0.00 C ATOM 1131 O LEU A 76 -1.266 -2.582 -16.163 1.00 0.00 O ATOM 1132 CB LEU A 76 -2.023 -1.001 -14.068 1.00 0.00 C ATOM 1133 CG LEU A 76 -3.332 -1.498 -14.683 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -3.590 -2.939 -14.240 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -4.485 -0.606 -14.215 1.00 0.00 C ATOM 0 H LEU A 76 -2.807 0.532 -16.108 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.158 -0.116 -14.786 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.505 -1.824 -13.575 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.229 -0.251 -13.305 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.260 -1.460 -15.770 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.523 -3.293 -14.678 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.769 -3.574 -14.572 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.662 -2.978 -13.153 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.419 -0.959 -14.653 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.556 -0.644 -13.128 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.302 0.421 -14.531 1.00 0.00 H new ATOM 1147 N LYS A 77 -0.291 -1.016 -17.356 1.00 0.00 N ATOM 1148 CA LYS A 77 -0.032 -1.966 -18.476 1.00 0.00 C ATOM 1149 C LYS A 77 1.469 -2.041 -18.768 1.00 0.00 C ATOM 1150 O LYS A 77 1.856 -2.881 -19.564 1.00 0.00 O ATOM 1151 CB LYS A 77 -0.782 -1.382 -19.673 1.00 0.00 C ATOM 1152 CG LYS A 77 -1.966 -2.285 -20.023 1.00 0.00 C ATOM 1153 CD LYS A 77 -3.272 -1.598 -19.616 1.00 0.00 C ATOM 1154 CE LYS A 77 -3.875 -2.321 -18.410 1.00 0.00 C ATOM 1155 NZ LYS A 77 -4.955 -3.177 -18.975 1.00 0.00 N ATOM 1156 OXT LYS A 77 2.206 -1.258 -18.191 1.00 0.00 O ATOM 0 H LYS A 77 0.039 -0.063 -17.510 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.362 -2.979 -18.243 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.134 -0.377 -19.440 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.112 -1.295 -20.528 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.972 -2.496 -21.092 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.871 -3.242 -19.510 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.084 -0.553 -19.370 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.975 -1.608 -20.449 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.125 -2.921 -17.894 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.272 -1.613 -17.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.809 -3.092 -18.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.170 -2.870 -19.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.641 -4.168 -18.988 1.00 0.00 H new TER 1170 LYS A 77