USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 826 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 46 THR OG1 : rot -92:sc= 0.292 USER MOD Set 1.2: A 48 SER OG : rot 5:sc= 0.208 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.4!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 19 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.5!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 168:sc=-0.00907 (180deg=-0.134) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -0.0287 (180deg=-0.232) USER MOD Single : A 31 TYR OH : rot -118:sc= 1.24 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 37 ASN : amide:sc= -0.0338 X(o=-0.034,f=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0.492 (180deg=0.488) USER MOD Single : A 45 LYS NZ :NH3+ -150:sc= -1.34 (180deg=-2.88!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 2:sc= 1.12 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 61 LYS NZ :NH3+ 169:sc= -0.0129 (180deg=-0.14) USER MOD Single : A 62 ASN : amide:sc= -2.02 X(o=-2,f=-2.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 71 ASN : amide:sc= -0.0434 K(o=-0.043,f=-5.6!) USER MOD Single : A 75 TYR OH : rot 180:sc= -1.45! USER MOD Single : A 82 ASN : amide:sc= -3.82! C(o=-3.8!,f=-5.5!) USER MOD Single : A 83 ASN : amide:sc= -0.0247 X(o=-0.025,f=0.033) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.154 K(o=-0.15,f=-0.98) USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= -0.0442 (180deg=-0.306) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -110:sc= -0.621 (180deg=-2.53!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.0524 F(o=-1.4!,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 -0.420 12.540 -5.627 1.00 0.00 N ATOM 21 CA ILE A 2 -0.681 11.502 -4.645 1.00 0.00 C ATOM 22 C ILE A 2 -2.183 11.208 -4.609 1.00 0.00 C ATOM 23 O ILE A 2 -2.961 11.917 -3.967 1.00 0.00 O ATOM 24 CB ILE A 2 -0.151 11.869 -3.227 1.00 0.00 C ATOM 25 CG1 ILE A 2 -0.655 13.247 -2.752 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.373 11.836 -3.218 1.00 0.00 C ATOM 27 CD1 ILE A 2 0.168 14.424 -3.238 1.00 0.00 C ATOM 0 HA ILE A 2 -0.137 10.608 -4.949 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.540 11.126 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.684 13.378 -3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.671 13.257 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.737 12.094 -2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.717 10.836 -3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.757 12.555 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.260 15.350 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.193 14.323 -2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.164 14.446 -4.328 1.00 0.00 H new ATOM 39 N ARG A 3 -2.589 10.178 -5.339 1.00 0.00 N ATOM 40 CA ARG A 3 -3.977 9.905 -5.578 1.00 0.00 C ATOM 41 C ARG A 3 -4.335 8.443 -5.338 1.00 0.00 C ATOM 42 O ARG A 3 -3.529 7.547 -5.542 1.00 0.00 O ATOM 43 CB ARG A 3 -4.286 10.257 -7.017 1.00 0.00 C ATOM 44 CG ARG A 3 -3.135 10.000 -7.978 1.00 0.00 C ATOM 45 CD ARG A 3 -3.544 10.268 -9.414 1.00 0.00 C ATOM 46 NE ARG A 3 -3.986 11.645 -9.610 1.00 0.00 N ATOM 47 CZ ARG A 3 -4.342 12.151 -10.788 1.00 0.00 C ATOM 48 NH1 ARG A 3 -4.302 11.397 -11.877 1.00 0.00 N ATOM 49 NH2 ARG A 3 -4.739 13.412 -10.875 1.00 0.00 N ATOM 0 H ARG A 3 -1.953 9.513 -5.779 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.565 10.502 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.153 9.682 -7.343 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.563 11.310 -7.071 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.290 10.635 -7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.800 8.967 -7.880 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.703 10.060 -10.075 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.347 9.586 -9.695 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.024 12.257 -8.795 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.998 10.426 -11.814 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.576 11.788 -12.778 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.772 13.995 -10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.012 13.800 -11.778 1.00 0.00 H new ATOM 63 N PHE A 4 -5.572 8.221 -4.924 1.00 0.00 N ATOM 64 CA PHE A 4 -6.111 6.879 -4.801 1.00 0.00 C ATOM 65 C PHE A 4 -7.031 6.587 -5.978 1.00 0.00 C ATOM 66 O PHE A 4 -7.929 7.371 -6.291 1.00 0.00 O ATOM 67 CB PHE A 4 -6.858 6.708 -3.468 1.00 0.00 C ATOM 68 CG PHE A 4 -7.911 7.752 -3.193 1.00 0.00 C ATOM 69 CD1 PHE A 4 -7.575 8.947 -2.574 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.234 7.534 -3.542 1.00 0.00 C ATOM 71 CE1 PHE A 4 -8.538 9.903 -2.313 1.00 0.00 C ATOM 72 CE2 PHE A 4 -10.199 8.487 -3.284 1.00 0.00 C ATOM 73 CZ PHE A 4 -9.851 9.673 -2.669 1.00 0.00 C ATOM 0 H PHE A 4 -6.225 8.961 -4.666 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.287 6.166 -4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.329 5.725 -3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.131 6.723 -2.656 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.549 9.132 -2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.514 6.608 -4.022 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.263 10.829 -1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -11.226 8.305 -3.563 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.605 10.419 -2.467 1.00 0.00 H new ATOM 83 N GLU A 5 -6.789 5.476 -6.646 1.00 0.00 N ATOM 84 CA GLU A 5 -7.606 5.072 -7.774 1.00 0.00 C ATOM 85 C GLU A 5 -8.213 3.724 -7.483 1.00 0.00 C ATOM 86 O GLU A 5 -7.712 2.677 -7.896 1.00 0.00 O ATOM 87 CB GLU A 5 -6.791 5.037 -9.069 1.00 0.00 C ATOM 88 CG GLU A 5 -6.247 6.396 -9.484 1.00 0.00 C ATOM 89 CD GLU A 5 -5.546 6.355 -10.825 1.00 0.00 C ATOM 90 OE1 GLU A 5 -6.219 6.545 -11.861 1.00 0.00 O ATOM 91 OE2 GLU A 5 -4.321 6.123 -10.857 1.00 0.00 O ATOM 0 H GLU A 5 -6.028 4.833 -6.425 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.400 5.804 -7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.959 4.344 -8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.416 4.645 -9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.066 7.114 -9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.551 6.752 -8.725 1.00 0.00 H new ATOM 98 N ILE A 6 -9.310 3.778 -6.771 1.00 0.00 N ATOM 99 CA ILE A 6 -9.950 2.600 -6.254 1.00 0.00 C ATOM 100 C ILE A 6 -11.064 2.153 -7.180 1.00 0.00 C ATOM 101 O ILE A 6 -11.784 2.960 -7.763 1.00 0.00 O ATOM 102 CB ILE A 6 -10.552 2.899 -4.871 1.00 0.00 C ATOM 103 CG1 ILE A 6 -9.442 3.332 -3.907 1.00 0.00 C ATOM 104 CG2 ILE A 6 -11.320 1.681 -4.321 1.00 0.00 C ATOM 105 CD1 ILE A 6 -9.944 3.958 -2.624 1.00 0.00 C ATOM 0 H ILE A 6 -9.786 4.648 -6.533 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.203 1.810 -6.176 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.269 3.714 -4.971 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.832 2.463 -3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.792 4.044 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.734 1.923 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.130 1.423 -5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.640 0.834 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.096 4.236 -1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.529 4.847 -2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.569 3.242 -2.090 1.00 0.00 H new ATOM 117 N HIS A 7 -11.164 0.863 -7.317 1.00 0.00 N ATOM 118 CA HIS A 7 -12.268 0.224 -7.989 1.00 0.00 C ATOM 119 C HIS A 7 -12.901 -0.734 -7.040 1.00 0.00 C ATOM 120 O HIS A 7 -12.474 -1.883 -6.940 1.00 0.00 O ATOM 121 CB HIS A 7 -11.822 -0.579 -9.185 1.00 0.00 C ATOM 122 CG HIS A 7 -11.653 0.225 -10.433 1.00 0.00 C ATOM 123 ND1 HIS A 7 -12.657 0.392 -11.361 1.00 0.00 N ATOM 124 CD2 HIS A 7 -10.586 0.909 -10.907 1.00 0.00 C ATOM 125 CE1 HIS A 7 -12.215 1.143 -12.350 1.00 0.00 C ATOM 126 NE2 HIS A 7 -10.962 1.471 -12.100 1.00 0.00 N ATOM 0 H HIS A 7 -10.468 0.209 -6.959 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.949 1.008 -8.321 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.876 -1.066 -8.949 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.550 -1.369 -9.371 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.619 0.996 -10.434 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.783 1.440 -13.219 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.370 2.048 -12.697 1.00 0.00 H new ATOM 135 N GLY A 8 -13.895 -0.305 -6.325 1.00 0.00 N ATOM 136 CA GLY A 8 -14.421 -1.198 -5.369 1.00 0.00 C ATOM 137 C GLY A 8 -15.676 -1.889 -5.866 1.00 0.00 C ATOM 138 O GLY A 8 -16.766 -1.322 -5.805 1.00 0.00 O ATOM 0 H GLY A 8 -14.334 0.614 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.669 -1.947 -5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.646 -0.655 -4.451 1.00 0.00 H new ATOM 142 N ASP A 9 -15.528 -3.117 -6.343 1.00 0.00 N ATOM 143 CA ASP A 9 -16.640 -3.841 -6.949 1.00 0.00 C ATOM 144 C ASP A 9 -17.423 -4.595 -5.880 1.00 0.00 C ATOM 145 O ASP A 9 -17.259 -5.806 -5.705 1.00 0.00 O ATOM 146 CB ASP A 9 -16.140 -4.826 -8.016 1.00 0.00 C ATOM 147 CG ASP A 9 -15.397 -4.156 -9.159 1.00 0.00 C ATOM 148 OD1 ASP A 9 -14.236 -4.535 -9.419 1.00 0.00 O ATOM 149 OD2 ASP A 9 -15.976 -3.263 -9.817 1.00 0.00 O ATOM 0 H ASP A 9 -14.649 -3.634 -6.323 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.294 -3.113 -7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.483 -5.557 -7.545 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.991 -5.376 -8.419 1.00 0.00 H new ATOM 154 N ASN A 10 -18.273 -3.878 -5.165 1.00 0.00 N ATOM 155 CA ASN A 10 -19.032 -4.465 -4.070 1.00 0.00 C ATOM 156 C ASN A 10 -20.468 -3.958 -4.087 1.00 0.00 C ATOM 157 O ASN A 10 -20.924 -3.411 -5.092 1.00 0.00 O ATOM 158 CB ASN A 10 -18.361 -4.148 -2.725 1.00 0.00 C ATOM 159 CG ASN A 10 -18.438 -2.681 -2.338 1.00 0.00 C ATOM 160 OD1 ASN A 10 -19.338 -2.267 -1.613 1.00 0.00 O ATOM 161 ND2 ASN A 10 -17.500 -1.888 -2.820 1.00 0.00 N ATOM 0 H ASN A 10 -18.456 -2.887 -5.322 1.00 0.00 H new ATOM 0 HA ASN A 10 -19.049 -5.547 -4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -18.831 -4.746 -1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.314 -4.449 -2.771 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.507 -0.894 -2.593 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.768 -2.269 -3.419 1.00 0.00 H new ATOM 168 N LEU A 11 -21.181 -4.160 -2.986 1.00 0.00 N ATOM 169 CA LEU A 11 -22.562 -3.715 -2.870 1.00 0.00 C ATOM 170 C LEU A 11 -22.664 -2.199 -3.024 1.00 0.00 C ATOM 171 O LEU A 11 -23.341 -1.703 -3.924 1.00 0.00 O ATOM 172 CB LEU A 11 -23.144 -4.148 -1.520 1.00 0.00 C ATOM 173 CG LEU A 11 -24.581 -3.696 -1.250 1.00 0.00 C ATOM 174 CD1 LEU A 11 -25.536 -4.280 -2.281 1.00 0.00 C ATOM 175 CD2 LEU A 11 -25.005 -4.092 0.155 1.00 0.00 C ATOM 0 H LEU A 11 -20.822 -4.632 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 11 -23.137 -4.178 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -23.106 -5.236 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -22.504 -3.761 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 11 -24.619 -2.610 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -26.551 -3.944 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -25.245 -3.946 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -25.497 -5.368 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -26.029 -3.764 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -24.948 -5.175 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -24.342 -3.621 0.881 1.00 0.00 H new ATOM 187 N THR A 12 -21.983 -1.467 -2.154 1.00 0.00 N ATOM 188 CA THR A 12 -22.041 -0.011 -2.168 1.00 0.00 C ATOM 189 C THR A 12 -20.809 0.590 -1.492 1.00 0.00 C ATOM 190 O THR A 12 -20.493 0.257 -0.347 1.00 0.00 O ATOM 191 CB THR A 12 -23.320 0.499 -1.463 1.00 0.00 C ATOM 192 OG1 THR A 12 -24.479 -0.073 -2.085 1.00 0.00 O ATOM 193 CG2 THR A 12 -23.412 2.017 -1.520 1.00 0.00 C ATOM 0 H THR A 12 -21.383 -1.858 -1.428 1.00 0.00 H new ATOM 0 HA THR A 12 -22.063 0.306 -3.211 1.00 0.00 H new ATOM 0 HB THR A 12 -23.273 0.195 -0.417 1.00 0.00 H new ATOM 0 HG1 THR A 12 -25.286 0.252 -1.634 1.00 0.00 H new ATOM 0 HG21 THR A 12 -24.321 2.346 -1.016 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.545 2.453 -1.024 1.00 0.00 H new ATOM 0 HG23 THR A 12 -23.436 2.341 -2.560 1.00 0.00 H new ATOM 201 N ILE A 13 -20.103 1.458 -2.211 1.00 0.00 N ATOM 202 CA ILE A 13 -18.950 2.155 -1.653 1.00 0.00 C ATOM 203 C ILE A 13 -19.404 3.375 -0.862 1.00 0.00 C ATOM 204 O ILE A 13 -20.532 3.845 -1.022 1.00 0.00 O ATOM 205 CB ILE A 13 -17.950 2.598 -2.745 1.00 0.00 C ATOM 206 CG1 ILE A 13 -18.610 3.573 -3.727 1.00 0.00 C ATOM 207 CG2 ILE A 13 -17.395 1.386 -3.480 1.00 0.00 C ATOM 208 CD1 ILE A 13 -17.664 4.105 -4.784 1.00 0.00 C ATOM 0 H ILE A 13 -20.310 1.695 -3.181 1.00 0.00 H new ATOM 0 HA ILE A 13 -18.440 1.451 -0.995 1.00 0.00 H new ATOM 0 HB ILE A 13 -17.122 3.117 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -19.444 3.072 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -19.026 4.412 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.692 1.715 -4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.882 0.735 -2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -18.213 0.839 -3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -18.201 4.788 -5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -16.842 4.635 -4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -17.267 3.275 -5.368 1.00 0.00 H new ATOM 220 N THR A 14 -18.529 3.887 -0.017 1.00 0.00 N ATOM 221 CA THR A 14 -18.871 5.011 0.834 1.00 0.00 C ATOM 222 C THR A 14 -17.644 5.856 1.132 1.00 0.00 C ATOM 223 O THR A 14 -16.504 5.418 0.946 1.00 0.00 O ATOM 224 CB THR A 14 -19.531 4.533 2.152 1.00 0.00 C ATOM 225 OG1 THR A 14 -19.498 5.559 3.148 1.00 0.00 O ATOM 226 CG2 THR A 14 -18.862 3.277 2.689 1.00 0.00 C ATOM 0 H THR A 14 -17.576 3.542 0.098 1.00 0.00 H new ATOM 0 HA THR A 14 -19.592 5.627 0.297 1.00 0.00 H new ATOM 0 HB THR A 14 -20.570 4.299 1.920 1.00 0.00 H new ATOM 0 HG1 THR A 14 -19.922 5.232 3.969 1.00 0.00 H new ATOM 0 HG21 THR A 14 -19.351 2.971 3.614 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.945 2.477 1.953 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.809 3.481 2.886 1.00 0.00 H new ATOM 234 N ASP A 15 -17.898 7.069 1.604 1.00 0.00 N ATOM 235 CA ASP A 15 -16.843 8.031 1.901 1.00 0.00 C ATOM 236 C ASP A 15 -16.061 7.590 3.128 1.00 0.00 C ATOM 237 O ASP A 15 -14.995 8.120 3.415 1.00 0.00 O ATOM 238 CB ASP A 15 -17.425 9.436 2.117 1.00 0.00 C ATOM 239 CG ASP A 15 -18.189 9.583 3.421 1.00 0.00 C ATOM 240 OD1 ASP A 15 -19.281 8.985 3.550 1.00 0.00 O ATOM 241 OD2 ASP A 15 -17.719 10.322 4.313 1.00 0.00 O ATOM 0 H ASP A 15 -18.839 7.414 1.792 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.168 8.071 1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.614 10.163 2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.089 9.677 1.287 1.00 0.00 H new ATOM 246 N ALA A 16 -16.607 6.609 3.834 1.00 0.00 N ATOM 247 CA ALA A 16 -15.946 5.990 4.978 1.00 0.00 C ATOM 248 C ALA A 16 -14.569 5.481 4.609 1.00 0.00 C ATOM 249 O ALA A 16 -13.558 5.907 5.158 1.00 0.00 O ATOM 250 CB ALA A 16 -16.769 4.814 5.455 1.00 0.00 C ATOM 0 H ALA A 16 -17.526 6.217 3.629 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.850 6.745 5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.278 4.349 6.310 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.760 5.159 5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.863 4.085 4.650 1.00 0.00 H new ATOM 256 N ILE A 17 -14.555 4.549 3.676 1.00 0.00 N ATOM 257 CA ILE A 17 -13.330 3.941 3.205 1.00 0.00 C ATOM 258 C ILE A 17 -12.478 4.966 2.507 1.00 0.00 C ATOM 259 O ILE A 17 -11.265 4.972 2.641 1.00 0.00 O ATOM 260 CB ILE A 17 -13.634 2.811 2.222 1.00 0.00 C ATOM 261 CG1 ILE A 17 -14.239 1.616 2.956 1.00 0.00 C ATOM 262 CG2 ILE A 17 -12.386 2.386 1.457 1.00 0.00 C ATOM 263 CD1 ILE A 17 -15.747 1.650 3.072 1.00 0.00 C ATOM 0 H ILE A 17 -15.397 4.192 3.223 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.800 3.541 4.069 1.00 0.00 H new ATOM 0 HB ILE A 17 -14.358 3.186 1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.947 0.702 2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.811 1.566 3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.639 1.581 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.996 3.235 0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.629 2.037 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -16.091 0.764 3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.050 2.544 3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -16.188 1.666 2.075 1.00 0.00 H new ATOM 275 N ARG A 18 -13.134 5.828 1.751 1.00 0.00 N ATOM 276 CA ARG A 18 -12.422 6.848 1.038 1.00 0.00 C ATOM 277 C ARG A 18 -11.629 7.669 2.051 1.00 0.00 C ATOM 278 O ARG A 18 -10.445 7.952 1.867 1.00 0.00 O ATOM 279 CB ARG A 18 -13.375 7.742 0.244 1.00 0.00 C ATOM 280 CG ARG A 18 -12.660 8.699 -0.694 1.00 0.00 C ATOM 281 CD ARG A 18 -13.636 9.593 -1.438 1.00 0.00 C ATOM 282 NE ARG A 18 -14.275 10.569 -0.556 1.00 0.00 N ATOM 283 CZ ARG A 18 -15.557 10.918 -0.636 1.00 0.00 C ATOM 284 NH1 ARG A 18 -16.358 10.320 -1.510 1.00 0.00 N ATOM 285 NH2 ARG A 18 -16.044 11.853 0.171 1.00 0.00 N ATOM 0 H ARG A 18 -14.146 5.835 1.622 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.748 6.386 0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.052 7.115 -0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.988 8.316 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.965 9.315 -0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.068 8.131 -1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.110 10.117 -2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.401 8.978 -1.911 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.703 11.009 0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.991 9.591 -2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.340 10.589 -1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.436 12.305 0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.027 12.119 0.108 1.00 0.00 H new ATOM 299 N ASN A 19 -12.306 8.002 3.148 1.00 0.00 N ATOM 300 CA ASN A 19 -11.678 8.620 4.304 1.00 0.00 C ATOM 301 C ASN A 19 -10.578 7.723 4.855 1.00 0.00 C ATOM 302 O ASN A 19 -9.468 8.176 5.060 1.00 0.00 O ATOM 303 CB ASN A 19 -12.724 8.908 5.389 1.00 0.00 C ATOM 304 CG ASN A 19 -13.420 10.241 5.195 1.00 0.00 C ATOM 305 OD1 ASN A 19 -12.838 11.195 4.670 1.00 0.00 O ATOM 306 ND2 ASN A 19 -14.668 10.321 5.624 1.00 0.00 N ATOM 0 H ASN A 19 -13.309 7.849 3.256 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.231 9.564 3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.468 8.112 5.390 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.241 8.894 6.366 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -15.186 11.194 5.527 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -15.113 9.509 6.052 1.00 0.00 H new ATOM 313 N TYR A 20 -10.893 6.441 5.057 1.00 0.00 N ATOM 314 CA TYR A 20 -9.922 5.457 5.553 1.00 0.00 C ATOM 315 C TYR A 20 -8.641 5.485 4.721 1.00 0.00 C ATOM 316 O TYR A 20 -7.534 5.362 5.245 1.00 0.00 O ATOM 317 CB TYR A 20 -10.506 4.035 5.498 1.00 0.00 C ATOM 318 CG TYR A 20 -9.664 3.017 6.241 1.00 0.00 C ATOM 319 CD1 TYR A 20 -9.381 3.169 7.592 1.00 0.00 C ATOM 320 CD2 TYR A 20 -9.144 1.909 5.585 1.00 0.00 C ATOM 321 CE1 TYR A 20 -8.606 2.246 8.268 1.00 0.00 C ATOM 322 CE2 TYR A 20 -8.369 0.980 6.255 1.00 0.00 C ATOM 323 CZ TYR A 20 -8.102 1.154 7.596 1.00 0.00 C ATOM 324 OH TYR A 20 -7.327 0.234 8.266 1.00 0.00 O ATOM 0 H TYR A 20 -11.821 6.056 4.883 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.695 5.723 6.585 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.511 4.045 5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.601 3.728 4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -9.773 4.023 8.124 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -9.348 1.770 4.534 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.396 2.380 9.319 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.975 0.122 5.730 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.053 -0.475 7.648 1.00 0.00 H new ATOM 334 N ILE A 21 -8.808 5.695 3.423 1.00 0.00 N ATOM 335 CA ILE A 21 -7.715 5.627 2.489 1.00 0.00 C ATOM 336 C ILE A 21 -7.049 6.960 2.499 1.00 0.00 C ATOM 337 O ILE A 21 -5.845 7.096 2.274 1.00 0.00 O ATOM 338 CB ILE A 21 -8.230 5.347 1.070 1.00 0.00 C ATOM 339 CG1 ILE A 21 -8.967 4.005 1.010 1.00 0.00 C ATOM 340 CG2 ILE A 21 -7.093 5.377 0.056 1.00 0.00 C ATOM 341 CD1 ILE A 21 -8.120 2.821 1.424 1.00 0.00 C ATOM 0 H ILE A 21 -9.708 5.917 2.997 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.032 4.826 2.772 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.935 6.138 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.845 4.054 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.327 3.844 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.488 5.175 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.621 6.360 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.355 4.617 0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.712 1.908 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.256 2.744 0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.782 2.957 2.451 1.00 0.00 H new ATOM 353 N GLU A 22 -7.866 7.948 2.804 1.00 0.00 N ATOM 354 CA GLU A 22 -7.408 9.296 2.852 1.00 0.00 C ATOM 355 C GLU A 22 -6.428 9.419 4.005 1.00 0.00 C ATOM 356 O GLU A 22 -5.389 10.074 3.912 1.00 0.00 O ATOM 357 CB GLU A 22 -8.579 10.272 3.019 1.00 0.00 C ATOM 358 CG GLU A 22 -8.183 11.742 3.000 1.00 0.00 C ATOM 359 CD GLU A 22 -7.656 12.190 1.652 1.00 0.00 C ATOM 360 OE1 GLU A 22 -8.445 12.239 0.690 1.00 0.00 O ATOM 361 OE2 GLU A 22 -6.453 12.513 1.552 1.00 0.00 O ATOM 0 H GLU A 22 -8.855 7.827 3.022 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.914 9.553 1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.301 10.093 2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.083 10.057 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.047 12.350 3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.422 11.918 3.760 1.00 0.00 H new ATOM 368 N GLU A 23 -6.773 8.726 5.077 1.00 0.00 N ATOM 369 CA GLU A 23 -5.957 8.673 6.276 1.00 0.00 C ATOM 370 C GLU A 23 -4.701 7.863 6.004 1.00 0.00 C ATOM 371 O GLU A 23 -3.598 8.295 6.316 1.00 0.00 O ATOM 372 CB GLU A 23 -6.739 8.027 7.418 1.00 0.00 C ATOM 373 CG GLU A 23 -8.180 8.489 7.509 1.00 0.00 C ATOM 374 CD GLU A 23 -8.928 7.835 8.652 1.00 0.00 C ATOM 375 OE1 GLU A 23 -8.862 6.592 8.784 1.00 0.00 O ATOM 376 OE2 GLU A 23 -9.591 8.561 9.426 1.00 0.00 O ATOM 0 H GLU A 23 -7.633 8.181 5.139 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.684 9.689 6.561 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.721 6.944 7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.236 8.246 8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.204 9.571 7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.689 8.267 6.571 1.00 0.00 H new ATOM 383 N LYS A 24 -4.886 6.677 5.423 1.00 0.00 N ATOM 384 CA LYS A 24 -3.761 5.818 5.074 1.00 0.00 C ATOM 385 C LYS A 24 -2.757 6.576 4.214 1.00 0.00 C ATOM 386 O LYS A 24 -1.651 6.862 4.660 1.00 0.00 O ATOM 387 CB LYS A 24 -4.242 4.559 4.340 1.00 0.00 C ATOM 388 CG LYS A 24 -5.050 3.597 5.206 1.00 0.00 C ATOM 389 CD LYS A 24 -4.183 2.507 5.832 1.00 0.00 C ATOM 390 CE LYS A 24 -3.247 3.043 6.908 1.00 0.00 C ATOM 391 NZ LYS A 24 -3.987 3.553 8.093 1.00 0.00 N ATOM 0 H LYS A 24 -5.801 6.293 5.186 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.271 5.512 5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.850 4.860 3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.375 4.031 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.551 4.157 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.829 3.134 4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.826 1.741 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.594 2.025 5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.565 2.252 7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.637 3.844 6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.320 3.717 8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.461 4.446 7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.698 2.853 8.386 1.00 0.00 H new ATOM 405 N ILE A 25 -3.175 6.937 3.000 1.00 0.00 N ATOM 406 CA ILE A 25 -2.314 7.664 2.075 1.00 0.00 C ATOM 407 C ILE A 25 -1.807 8.943 2.719 1.00 0.00 C ATOM 408 O ILE A 25 -0.664 9.330 2.515 1.00 0.00 O ATOM 409 CB ILE A 25 -3.039 8.004 0.751 1.00 0.00 C ATOM 410 CG1 ILE A 25 -3.409 6.719 0.009 1.00 0.00 C ATOM 411 CG2 ILE A 25 -2.172 8.898 -0.131 1.00 0.00 C ATOM 412 CD1 ILE A 25 -4.075 6.967 -1.326 1.00 0.00 C ATOM 0 H ILE A 25 -4.107 6.736 2.637 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.473 7.011 1.840 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.952 8.549 0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.508 6.126 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.076 6.126 0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.704 9.123 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.953 9.826 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.239 8.384 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.310 6.013 -1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.994 7.533 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.401 7.534 -1.969 1.00 0.00 H new ATOM 424 N GLY A 26 -2.658 9.580 3.509 1.00 0.00 N ATOM 425 CA GLY A 26 -2.245 10.754 4.243 1.00 0.00 C ATOM 426 C GLY A 26 -1.073 10.477 5.165 1.00 0.00 C ATOM 427 O GLY A 26 -0.116 11.244 5.197 1.00 0.00 O ATOM 0 H GLY A 26 -3.629 9.303 3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.973 11.541 3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.085 11.127 4.829 1.00 0.00 H new ATOM 431 N LYS A 27 -1.119 9.356 5.879 1.00 0.00 N ATOM 432 CA LYS A 27 -0.102 9.071 6.869 1.00 0.00 C ATOM 433 C LYS A 27 1.142 8.584 6.173 1.00 0.00 C ATOM 434 O LYS A 27 2.262 8.860 6.604 1.00 0.00 O ATOM 435 CB LYS A 27 -0.584 8.041 7.888 1.00 0.00 C ATOM 436 CG LYS A 27 -1.179 8.656 9.148 1.00 0.00 C ATOM 437 CD LYS A 27 -2.404 9.501 8.842 1.00 0.00 C ATOM 438 CE LYS A 27 -2.956 10.166 10.091 1.00 0.00 C ATOM 439 NZ LYS A 27 -1.991 11.130 10.679 1.00 0.00 N ATOM 0 H LYS A 27 -1.842 8.642 5.788 1.00 0.00 H new ATOM 0 HA LYS A 27 0.118 9.987 7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.332 7.402 7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.253 7.401 8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.450 7.864 9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.427 9.272 9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.145 10.264 8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.175 8.875 8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.883 10.684 9.846 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.202 9.403 10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.479 11.729 11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.223 10.609 11.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.594 11.727 9.926 1.00 0.00 H new ATOM 453 N LEU A 28 0.928 7.879 5.076 1.00 0.00 N ATOM 454 CA LEU A 28 2.023 7.377 4.276 1.00 0.00 C ATOM 455 C LEU A 28 2.741 8.526 3.587 1.00 0.00 C ATOM 456 O LEU A 28 3.964 8.622 3.623 1.00 0.00 O ATOM 457 CB LEU A 28 1.494 6.386 3.263 1.00 0.00 C ATOM 458 CG LEU A 28 0.576 5.362 3.891 1.00 0.00 C ATOM 459 CD1 LEU A 28 -0.131 4.544 2.822 1.00 0.00 C ATOM 460 CD2 LEU A 28 1.347 4.458 4.840 1.00 0.00 C ATOM 0 H LEU A 28 0.002 7.642 4.721 1.00 0.00 H new ATOM 0 HA LEU A 28 2.741 6.870 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.957 6.921 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.330 5.877 2.785 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.181 5.893 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.786 3.814 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.723 5.206 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.609 4.025 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.667 3.729 5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.131 3.937 4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.796 5.059 5.630 1.00 0.00 H new ATOM 472 N GLU A 29 1.956 9.413 2.988 1.00 0.00 N ATOM 473 CA GLU A 29 2.484 10.583 2.307 1.00 0.00 C ATOM 474 C GLU A 29 3.213 11.488 3.288 1.00 0.00 C ATOM 475 O GLU A 29 4.262 12.043 2.967 1.00 0.00 O ATOM 476 CB GLU A 29 1.350 11.357 1.627 1.00 0.00 C ATOM 477 CG GLU A 29 1.809 12.579 0.852 1.00 0.00 C ATOM 478 CD GLU A 29 1.165 13.859 1.341 1.00 0.00 C ATOM 479 OE1 GLU A 29 1.849 14.656 2.012 1.00 0.00 O ATOM 480 OE2 GLU A 29 -0.028 14.081 1.049 1.00 0.00 O ATOM 0 H GLU A 29 0.939 9.340 2.962 1.00 0.00 H new ATOM 0 HA GLU A 29 3.191 10.249 1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.824 10.686 0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.633 11.670 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.892 12.669 0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.578 12.442 -0.204 1.00 0.00 H new ATOM 487 N ARG A 30 2.666 11.626 4.491 1.00 0.00 N ATOM 488 CA ARG A 30 3.271 12.500 5.486 1.00 0.00 C ATOM 489 C ARG A 30 4.506 11.889 6.135 1.00 0.00 C ATOM 490 O ARG A 30 5.162 12.538 6.952 1.00 0.00 O ATOM 491 CB ARG A 30 2.270 12.916 6.533 1.00 0.00 C ATOM 492 CG ARG A 30 1.156 13.806 6.004 1.00 0.00 C ATOM 493 CD ARG A 30 1.685 15.125 5.466 1.00 0.00 C ATOM 494 NE ARG A 30 2.312 15.937 6.507 1.00 0.00 N ATOM 495 CZ ARG A 30 3.119 16.970 6.259 1.00 0.00 C ATOM 496 NH1 ARG A 30 3.457 17.263 5.009 1.00 0.00 N ATOM 497 NH2 ARG A 30 3.601 17.693 7.261 1.00 0.00 N ATOM 0 H ARG A 30 1.817 11.151 4.797 1.00 0.00 H new ATOM 0 HA ARG A 30 3.601 13.390 4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.829 12.022 6.974 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.793 13.442 7.332 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.618 13.282 5.214 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.439 14.002 6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.410 14.928 4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.866 15.685 5.015 1.00 0.00 H new ATOM 0 HE ARG A 30 2.121 15.700 7.481 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.100 16.698 4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.074 18.053 4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.355 17.460 8.223 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.218 18.482 7.070 1.00 0.00 H new ATOM 511 N TYR A 31 4.831 10.650 5.783 1.00 0.00 N ATOM 512 CA TYR A 31 6.120 10.090 6.163 1.00 0.00 C ATOM 513 C TYR A 31 7.205 10.732 5.313 1.00 0.00 C ATOM 514 O TYR A 31 8.368 10.805 5.710 1.00 0.00 O ATOM 515 CB TYR A 31 6.173 8.569 5.968 1.00 0.00 C ATOM 516 CG TYR A 31 5.325 7.767 6.933 1.00 0.00 C ATOM 517 CD1 TYR A 31 5.235 8.113 8.276 1.00 0.00 C ATOM 518 CD2 TYR A 31 4.635 6.641 6.500 1.00 0.00 C ATOM 519 CE1 TYR A 31 4.480 7.362 9.158 1.00 0.00 C ATOM 520 CE2 TYR A 31 3.875 5.888 7.375 1.00 0.00 C ATOM 521 CZ TYR A 31 3.802 6.252 8.702 1.00 0.00 C ATOM 522 OH TYR A 31 3.053 5.497 9.578 1.00 0.00 O ATOM 0 H TYR A 31 4.231 10.025 5.245 1.00 0.00 H new ATOM 0 HA TYR A 31 6.274 10.296 7.222 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.856 8.338 4.951 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.209 8.242 6.061 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.764 8.983 8.637 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.694 6.349 5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.422 7.644 10.199 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.341 5.019 7.020 1.00 0.00 H new ATOM 0 HH TYR A 31 3.416 4.587 9.619 1.00 0.00 H new ATOM 532 N PHE A 32 6.803 11.210 4.141 1.00 0.00 N ATOM 533 CA PHE A 32 7.721 11.760 3.184 1.00 0.00 C ATOM 534 C PHE A 32 7.495 13.243 3.052 1.00 0.00 C ATOM 535 O PHE A 32 6.441 13.752 3.429 1.00 0.00 O ATOM 536 CB PHE A 32 7.470 11.162 1.815 1.00 0.00 C ATOM 537 CG PHE A 32 7.060 9.708 1.808 1.00 0.00 C ATOM 538 CD1 PHE A 32 5.964 9.287 1.067 1.00 0.00 C ATOM 539 CD2 PHE A 32 7.773 8.762 2.530 1.00 0.00 C ATOM 540 CE1 PHE A 32 5.592 7.956 1.046 1.00 0.00 C ATOM 541 CE2 PHE A 32 7.402 7.430 2.515 1.00 0.00 C ATOM 542 CZ PHE A 32 6.311 7.027 1.771 1.00 0.00 C ATOM 0 H PHE A 32 5.829 11.222 3.839 1.00 0.00 H new ATOM 0 HA PHE A 32 8.732 11.541 3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.692 11.744 1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.376 11.269 1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.395 10.009 0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.629 9.070 3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.739 7.643 0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.965 6.706 3.085 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.021 5.987 1.756 1.00 0.00 H new ATOM 552 N ASN A 33 8.475 13.946 2.529 1.00 0.00 N ATOM 553 CA ASN A 33 8.239 15.302 2.085 1.00 0.00 C ATOM 554 C ASN A 33 8.626 15.460 0.621 1.00 0.00 C ATOM 555 O ASN A 33 8.499 16.537 0.042 1.00 0.00 O ATOM 556 CB ASN A 33 8.987 16.319 2.955 1.00 0.00 C ATOM 557 CG ASN A 33 10.497 16.171 2.874 1.00 0.00 C ATOM 558 OD1 ASN A 33 11.150 16.787 2.031 1.00 0.00 O ATOM 559 ND2 ASN A 33 11.061 15.360 3.754 1.00 0.00 N ATOM 0 H ASN A 33 9.429 13.608 2.402 1.00 0.00 H new ATOM 0 HA ASN A 33 7.173 15.503 2.188 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.709 17.327 2.647 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.671 16.204 3.992 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.072 15.227 3.750 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.485 14.868 4.436 1.00 0.00 H new ATOM 566 N ASP A 34 9.090 14.371 0.033 1.00 0.00 N ATOM 567 CA ASP A 34 9.608 14.378 -1.300 1.00 0.00 C ATOM 568 C ASP A 34 8.837 13.435 -2.208 1.00 0.00 C ATOM 569 O ASP A 34 9.377 12.920 -3.187 1.00 0.00 O ATOM 570 CB ASP A 34 11.095 14.026 -1.297 1.00 0.00 C ATOM 571 CG ASP A 34 11.372 12.697 -0.625 1.00 0.00 C ATOM 572 OD1 ASP A 34 11.638 11.702 -1.332 1.00 0.00 O ATOM 573 OD2 ASP A 34 11.319 12.640 0.620 1.00 0.00 O ATOM 0 H ASP A 34 9.113 13.455 0.482 1.00 0.00 H new ATOM 0 HA ASP A 34 9.486 15.386 -1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.460 13.994 -2.324 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.651 14.812 -0.785 1.00 0.00 H new ATOM 578 N VAL A 35 7.579 13.206 -1.878 1.00 0.00 N ATOM 579 CA VAL A 35 6.749 12.287 -2.642 1.00 0.00 C ATOM 580 C VAL A 35 5.908 13.028 -3.693 1.00 0.00 C ATOM 581 O VAL A 35 4.948 13.730 -3.370 1.00 0.00 O ATOM 582 CB VAL A 35 5.846 11.443 -1.709 1.00 0.00 C ATOM 583 CG1 VAL A 35 4.971 12.324 -0.826 1.00 0.00 C ATOM 584 CG2 VAL A 35 4.997 10.468 -2.513 1.00 0.00 C ATOM 0 H VAL A 35 7.108 13.643 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 35 7.417 11.608 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 35 6.500 10.868 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.352 11.696 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.603 12.961 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.331 12.946 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.371 9.886 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.364 11.022 -3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.647 9.796 -3.074 1.00 0.00 H new ATOM 594 N PRO A 36 6.286 12.905 -4.974 1.00 0.00 N ATOM 595 CA PRO A 36 5.560 13.523 -6.073 1.00 0.00 C ATOM 596 C PRO A 36 4.522 12.588 -6.697 1.00 0.00 C ATOM 597 O PRO A 36 3.730 13.000 -7.544 1.00 0.00 O ATOM 598 CB PRO A 36 6.678 13.824 -7.067 1.00 0.00 C ATOM 599 CG PRO A 36 7.692 12.745 -6.854 1.00 0.00 C ATOM 600 CD PRO A 36 7.481 12.194 -5.459 1.00 0.00 C ATOM 0 HA PRO A 36 4.985 14.394 -5.757 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.306 13.818 -8.092 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.108 14.810 -6.889 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.577 11.958 -7.599 1.00 0.00 H new ATOM 0 HG3 PRO A 36 8.702 13.141 -6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.325 11.115 -5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.344 12.382 -4.820 1.00 0.00 H new ATOM 608 N ASN A 37 4.523 11.330 -6.277 1.00 0.00 N ATOM 609 CA ASN A 37 3.597 10.348 -6.825 1.00 0.00 C ATOM 610 C ASN A 37 3.322 9.242 -5.820 1.00 0.00 C ATOM 611 O ASN A 37 4.245 8.588 -5.334 1.00 0.00 O ATOM 612 CB ASN A 37 4.152 9.741 -8.119 1.00 0.00 C ATOM 613 CG ASN A 37 3.169 8.797 -8.794 1.00 0.00 C ATOM 614 OD1 ASN A 37 2.351 9.218 -9.611 1.00 0.00 O ATOM 615 ND2 ASN A 37 3.243 7.516 -8.464 1.00 0.00 N ATOM 0 H ASN A 37 5.152 10.966 -5.561 1.00 0.00 H new ATOM 0 HA ASN A 37 2.662 10.863 -7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.411 10.543 -8.810 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.073 9.202 -7.897 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.608 6.842 -8.892 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.935 7.204 -7.782 1.00 0.00 H new ATOM 622 N ALA A 38 2.053 9.058 -5.501 1.00 0.00 N ATOM 623 CA ALA A 38 1.620 7.964 -4.648 1.00 0.00 C ATOM 624 C ALA A 38 0.192 7.587 -4.996 1.00 0.00 C ATOM 625 O ALA A 38 -0.724 8.376 -4.801 1.00 0.00 O ATOM 626 CB ALA A 38 1.724 8.337 -3.177 1.00 0.00 C ATOM 0 H ALA A 38 1.296 9.660 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 38 2.275 7.110 -4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.393 7.498 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.759 8.577 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.094 9.204 -2.976 1.00 0.00 H new ATOM 632 N VAL A 39 0.012 6.395 -5.525 1.00 0.00 N ATOM 633 CA VAL A 39 -1.259 5.948 -5.998 1.00 0.00 C ATOM 634 C VAL A 39 -1.748 4.775 -5.157 1.00 0.00 C ATOM 635 O VAL A 39 -0.947 4.061 -4.571 1.00 0.00 O ATOM 636 CB VAL A 39 -1.098 5.507 -7.462 1.00 0.00 C ATOM 637 CG1 VAL A 39 -2.068 4.410 -7.792 1.00 0.00 C ATOM 638 CG2 VAL A 39 -1.267 6.679 -8.400 1.00 0.00 C ATOM 0 H VAL A 39 0.759 5.710 -5.635 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.989 6.754 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.088 5.119 -7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.939 4.111 -8.832 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.884 3.554 -7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.087 4.767 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.149 6.341 -9.430 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.261 7.108 -8.271 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.514 7.435 -8.177 1.00 0.00 H new ATOM 648 N ALA A 40 -3.055 4.591 -5.094 1.00 0.00 N ATOM 649 CA ALA A 40 -3.623 3.390 -4.503 1.00 0.00 C ATOM 650 C ALA A 40 -4.703 2.818 -5.411 1.00 0.00 C ATOM 651 O ALA A 40 -5.873 3.188 -5.314 1.00 0.00 O ATOM 652 CB ALA A 40 -4.194 3.688 -3.124 1.00 0.00 C ATOM 0 H ALA A 40 -3.744 5.257 -5.444 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.829 2.651 -4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.614 2.776 -2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.401 4.059 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.976 4.442 -3.209 1.00 0.00 H new ATOM 658 N HIS A 41 -4.296 1.944 -6.317 1.00 0.00 N ATOM 659 CA HIS A 41 -5.227 1.225 -7.173 1.00 0.00 C ATOM 660 C HIS A 41 -5.765 0.031 -6.404 1.00 0.00 C ATOM 661 O HIS A 41 -5.176 -1.045 -6.421 1.00 0.00 O ATOM 662 CB HIS A 41 -4.537 0.748 -8.456 1.00 0.00 C ATOM 663 CG HIS A 41 -5.473 0.126 -9.450 1.00 0.00 C ATOM 664 ND1 HIS A 41 -5.698 -1.231 -9.530 1.00 0.00 N ATOM 665 CD2 HIS A 41 -6.239 0.688 -10.414 1.00 0.00 C ATOM 666 CE1 HIS A 41 -6.556 -1.476 -10.501 1.00 0.00 C ATOM 667 NE2 HIS A 41 -6.902 -0.330 -11.056 1.00 0.00 N ATOM 0 H HIS A 41 -3.316 1.713 -6.480 1.00 0.00 H new ATOM 0 HA HIS A 41 -6.041 1.892 -7.458 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -4.035 1.595 -8.924 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -3.765 0.024 -8.195 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -6.315 1.742 -10.637 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.915 -2.452 -10.793 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -7.554 -0.218 -11.833 1.00 0.00 H new ATOM 676 N VAL A 42 -6.867 0.230 -5.723 1.00 0.00 N ATOM 677 CA VAL A 42 -7.392 -0.739 -4.816 1.00 0.00 C ATOM 678 C VAL A 42 -8.714 -1.216 -5.321 1.00 0.00 C ATOM 679 O VAL A 42 -9.407 -0.507 -6.016 1.00 0.00 O ATOM 680 CB VAL A 42 -7.520 -0.074 -3.454 1.00 0.00 C ATOM 681 CG1 VAL A 42 -8.638 -0.674 -2.663 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.215 -0.205 -2.712 1.00 0.00 C ATOM 0 H VAL A 42 -7.425 1.082 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.737 -1.606 -4.731 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.751 0.982 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.705 -0.179 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.576 -0.544 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.449 -1.737 -2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.303 0.270 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.975 -1.260 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.422 0.280 -3.282 1.00 0.00 H new ATOM 692 N LYS A 43 -9.022 -2.423 -4.993 1.00 0.00 N ATOM 693 CA LYS A 43 -10.204 -3.070 -5.494 1.00 0.00 C ATOM 694 C LYS A 43 -10.751 -3.986 -4.439 1.00 0.00 C ATOM 695 O LYS A 43 -10.014 -4.527 -3.625 1.00 0.00 O ATOM 696 CB LYS A 43 -9.857 -3.831 -6.775 1.00 0.00 C ATOM 697 CG LYS A 43 -10.960 -4.730 -7.298 1.00 0.00 C ATOM 698 CD LYS A 43 -10.455 -5.589 -8.438 1.00 0.00 C ATOM 699 CE LYS A 43 -11.499 -6.593 -8.883 1.00 0.00 C ATOM 700 NZ LYS A 43 -10.948 -7.555 -9.869 1.00 0.00 N ATOM 0 H LYS A 43 -8.462 -3.000 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.971 -2.333 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.597 -3.110 -7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.970 -4.437 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.330 -5.366 -6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.800 -4.124 -7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.179 -4.953 -9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.553 -6.115 -8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.875 -7.136 -8.016 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.347 -6.067 -9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.681 -8.247 -10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.643 -7.042 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.134 -8.051 -9.453 1.00 0.00 H new ATOM 714 N VAL A 44 -12.047 -4.099 -4.426 1.00 0.00 N ATOM 715 CA VAL A 44 -12.727 -4.948 -3.491 1.00 0.00 C ATOM 716 C VAL A 44 -13.853 -5.655 -4.237 1.00 0.00 C ATOM 717 O VAL A 44 -14.286 -5.207 -5.293 1.00 0.00 O ATOM 718 CB VAL A 44 -13.323 -4.129 -2.333 1.00 0.00 C ATOM 719 CG1 VAL A 44 -14.553 -3.424 -2.818 1.00 0.00 C ATOM 720 CG2 VAL A 44 -13.656 -4.998 -1.139 1.00 0.00 C ATOM 0 H VAL A 44 -12.666 -3.602 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.021 -5.664 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.578 -3.404 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.983 -2.841 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -14.291 -2.760 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -15.281 -4.158 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.074 -4.380 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -14.384 -5.755 -1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.750 -5.486 -0.780 1.00 0.00 H new ATOM 730 N LYS A 45 -14.266 -6.770 -3.706 1.00 0.00 N ATOM 731 CA LYS A 45 -15.309 -7.594 -4.281 1.00 0.00 C ATOM 732 C LYS A 45 -16.065 -8.288 -3.163 1.00 0.00 C ATOM 733 O LYS A 45 -15.513 -9.146 -2.468 1.00 0.00 O ATOM 734 CB LYS A 45 -14.726 -8.643 -5.237 1.00 0.00 C ATOM 735 CG LYS A 45 -14.304 -8.090 -6.590 1.00 0.00 C ATOM 736 CD LYS A 45 -13.851 -9.190 -7.546 1.00 0.00 C ATOM 737 CE LYS A 45 -15.021 -9.890 -8.231 1.00 0.00 C ATOM 738 NZ LYS A 45 -15.830 -10.721 -7.297 1.00 0.00 N ATOM 0 H LYS A 45 -13.882 -7.147 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.982 -6.954 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.863 -9.110 -4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.467 -9.427 -5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.137 -7.545 -7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.493 -7.375 -6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.195 -8.761 -8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.264 -9.925 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.665 -9.142 -8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.640 -10.522 -9.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.243 -11.523 -7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.221 -11.079 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.592 -10.143 -6.889 1.00 0.00 H new ATOM 752 N THR A 46 -17.292 -7.860 -2.946 1.00 0.00 N ATOM 753 CA THR A 46 -18.154 -8.481 -1.962 1.00 0.00 C ATOM 754 C THR A 46 -19.609 -8.102 -2.206 1.00 0.00 C ATOM 755 O THR A 46 -20.020 -6.963 -1.963 1.00 0.00 O ATOM 756 CB THR A 46 -17.735 -8.122 -0.513 1.00 0.00 C ATOM 757 OG1 THR A 46 -18.717 -8.589 0.418 1.00 0.00 O ATOM 758 CG2 THR A 46 -17.526 -6.624 -0.330 1.00 0.00 C ATOM 0 H THR A 46 -17.717 -7.077 -3.443 1.00 0.00 H new ATOM 0 HA THR A 46 -18.048 -9.560 -2.075 1.00 0.00 H new ATOM 0 HB THR A 46 -16.783 -8.617 -0.322 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.370 -7.878 0.589 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.234 -6.421 0.700 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.741 -6.281 -1.004 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.453 -6.097 -0.555 1.00 0.00 H new ATOM 766 N TYR A 47 -20.391 -9.039 -2.720 1.00 0.00 N ATOM 767 CA TYR A 47 -21.822 -8.827 -2.816 1.00 0.00 C ATOM 768 C TYR A 47 -22.460 -9.297 -1.515 1.00 0.00 C ATOM 769 O TYR A 47 -23.225 -10.264 -1.479 1.00 0.00 O ATOM 770 CB TYR A 47 -22.398 -9.574 -4.027 1.00 0.00 C ATOM 771 CG TYR A 47 -23.878 -9.347 -4.247 1.00 0.00 C ATOM 772 CD1 TYR A 47 -24.372 -8.085 -4.555 1.00 0.00 C ATOM 773 CD2 TYR A 47 -24.780 -10.398 -4.144 1.00 0.00 C ATOM 774 CE1 TYR A 47 -25.724 -7.879 -4.753 1.00 0.00 C ATOM 775 CE2 TYR A 47 -26.131 -10.200 -4.342 1.00 0.00 C ATOM 776 CZ TYR A 47 -26.599 -8.939 -4.645 1.00 0.00 C ATOM 777 OH TYR A 47 -27.945 -8.739 -4.838 1.00 0.00 O ATOM 0 H TYR A 47 -20.063 -9.939 -3.071 1.00 0.00 H new ATOM 0 HA TYR A 47 -22.039 -7.769 -2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -21.857 -9.265 -4.922 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -22.220 -10.642 -3.900 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -23.689 -7.253 -4.641 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -24.418 -11.387 -3.905 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -26.093 -6.892 -4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -26.819 -11.029 -4.260 1.00 0.00 H new ATOM 0 HH TYR A 47 -28.421 -9.588 -4.727 1.00 0.00 H new ATOM 787 N SER A 48 -22.101 -8.595 -0.450 1.00 0.00 N ATOM 788 CA SER A 48 -22.566 -8.874 0.898 1.00 0.00 C ATOM 789 C SER A 48 -21.881 -7.904 1.852 1.00 0.00 C ATOM 790 O SER A 48 -20.951 -7.195 1.455 1.00 0.00 O ATOM 791 CB SER A 48 -22.259 -10.324 1.295 1.00 0.00 C ATOM 792 OG SER A 48 -20.889 -10.635 1.102 1.00 0.00 O ATOM 0 H SER A 48 -21.465 -7.799 -0.502 1.00 0.00 H new ATOM 0 HA SER A 48 -23.647 -8.744 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 48 -22.525 -10.481 2.340 1.00 0.00 H new ATOM 0 HB3 SER A 48 -22.874 -11.003 0.704 1.00 0.00 H new ATOM 0 HG SER A 48 -20.405 -9.827 0.830 1.00 0.00 H new ATOM 798 N ASN A 49 -22.323 -7.870 3.096 1.00 0.00 N ATOM 799 CA ASN A 49 -21.712 -7.002 4.091 1.00 0.00 C ATOM 800 C ASN A 49 -20.993 -7.829 5.149 1.00 0.00 C ATOM 801 O ASN A 49 -20.778 -7.373 6.270 1.00 0.00 O ATOM 802 CB ASN A 49 -22.765 -6.104 4.748 1.00 0.00 C ATOM 803 CG ASN A 49 -23.346 -5.078 3.791 1.00 0.00 C ATOM 804 OD1 ASN A 49 -22.677 -4.627 2.861 1.00 0.00 O ATOM 805 ND2 ASN A 49 -24.595 -4.699 4.016 1.00 0.00 N ATOM 0 H ASN A 49 -23.101 -8.431 3.443 1.00 0.00 H new ATOM 0 HA ASN A 49 -20.983 -6.367 3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -23.571 -6.724 5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -22.317 -5.588 5.597 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -25.036 -4.009 3.408 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -25.116 -5.097 4.798 1.00 0.00 H new ATOM 812 N SER A 50 -20.630 -9.054 4.785 1.00 0.00 N ATOM 813 CA SER A 50 -19.946 -9.951 5.706 1.00 0.00 C ATOM 814 C SER A 50 -18.707 -10.558 5.071 1.00 0.00 C ATOM 815 O SER A 50 -18.082 -11.468 5.618 1.00 0.00 O ATOM 816 CB SER A 50 -20.895 -11.044 6.202 1.00 0.00 C ATOM 817 OG SER A 50 -22.045 -10.482 6.812 1.00 0.00 O ATOM 0 H SER A 50 -20.798 -9.447 3.859 1.00 0.00 H new ATOM 0 HA SER A 50 -19.622 -9.362 6.564 1.00 0.00 H new ATOM 0 HB2 SER A 50 -21.195 -11.676 5.366 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.377 -11.684 6.916 1.00 0.00 H new ATOM 0 HG SER A 50 -22.637 -11.200 7.119 1.00 0.00 H new ATOM 823 N ALA A 51 -18.365 -10.039 3.921 1.00 0.00 N ATOM 824 CA ALA A 51 -17.238 -10.545 3.148 1.00 0.00 C ATOM 825 C ALA A 51 -16.383 -9.429 2.639 1.00 0.00 C ATOM 826 O ALA A 51 -16.752 -8.260 2.732 1.00 0.00 O ATOM 827 CB ALA A 51 -17.686 -11.317 1.931 1.00 0.00 C ATOM 0 H ALA A 51 -18.852 -9.255 3.486 1.00 0.00 H new ATOM 0 HA ALA A 51 -16.686 -11.190 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.813 -11.675 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -18.293 -12.167 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.276 -10.667 1.285 1.00 0.00 H new ATOM 833 N THR A 52 -15.245 -9.816 2.087 1.00 0.00 N ATOM 834 CA THR A 52 -14.466 -8.959 1.270 1.00 0.00 C ATOM 835 C THR A 52 -13.456 -9.751 0.439 1.00 0.00 C ATOM 836 O THR A 52 -12.886 -10.734 0.911 1.00 0.00 O ATOM 837 CB THR A 52 -13.717 -7.860 2.068 1.00 0.00 C ATOM 838 OG1 THR A 52 -14.619 -6.908 2.636 1.00 0.00 O ATOM 839 CG2 THR A 52 -12.728 -7.139 1.187 1.00 0.00 C ATOM 0 H THR A 52 -14.849 -10.748 2.207 1.00 0.00 H new ATOM 0 HA THR A 52 -15.179 -8.462 0.613 1.00 0.00 H new ATOM 0 HB THR A 52 -13.188 -8.363 2.878 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.541 -7.166 2.428 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.214 -6.373 1.768 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.999 -7.851 0.800 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.255 -6.671 0.355 1.00 0.00 H new ATOM 847 N LYS A 53 -13.279 -9.351 -0.813 1.00 0.00 N ATOM 848 CA LYS A 53 -12.129 -9.784 -1.594 1.00 0.00 C ATOM 849 C LYS A 53 -11.450 -8.574 -2.214 1.00 0.00 C ATOM 850 O LYS A 53 -12.030 -7.881 -3.030 1.00 0.00 O ATOM 851 CB LYS A 53 -12.556 -10.795 -2.662 1.00 0.00 C ATOM 852 CG LYS A 53 -11.414 -11.334 -3.509 1.00 0.00 C ATOM 853 CD LYS A 53 -11.927 -12.221 -4.635 1.00 0.00 C ATOM 854 CE LYS A 53 -12.668 -13.441 -4.106 1.00 0.00 C ATOM 855 NZ LYS A 53 -13.256 -14.257 -5.203 1.00 0.00 N ATOM 0 H LYS A 53 -13.917 -8.728 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.414 -10.282 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.056 -11.631 -2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.288 -10.325 -3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.847 -10.503 -3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.729 -11.902 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.592 -11.643 -5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.089 -12.545 -5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.983 -14.057 -3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.460 -13.119 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.751 -15.077 -4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.930 -13.678 -5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.498 -14.587 -5.835 1.00 0.00 H new ATOM 869 N ILE A 54 -10.217 -8.325 -1.819 1.00 0.00 N ATOM 870 CA ILE A 54 -9.558 -7.072 -2.136 1.00 0.00 C ATOM 871 C ILE A 54 -8.330 -7.241 -2.999 1.00 0.00 C ATOM 872 O ILE A 54 -7.751 -8.321 -3.087 1.00 0.00 O ATOM 873 CB ILE A 54 -9.150 -6.323 -0.857 1.00 0.00 C ATOM 874 CG1 ILE A 54 -8.659 -7.274 0.244 1.00 0.00 C ATOM 875 CG2 ILE A 54 -10.321 -5.532 -0.397 1.00 0.00 C ATOM 876 CD1 ILE A 54 -7.216 -7.711 0.084 1.00 0.00 C ATOM 0 H ILE A 54 -9.649 -8.976 -1.276 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.293 -6.497 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.310 -5.665 -1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.774 -6.784 1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.296 -8.158 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.059 -4.989 0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.609 -4.823 -1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.155 -6.203 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.946 -8.381 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.097 -8.231 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.567 -6.836 0.103 1.00 0.00 H new ATOM 888 N GLU A 55 -7.941 -6.137 -3.619 1.00 0.00 N ATOM 889 CA GLU A 55 -6.788 -6.084 -4.455 1.00 0.00 C ATOM 890 C GLU A 55 -6.214 -4.680 -4.393 1.00 0.00 C ATOM 891 O GLU A 55 -6.795 -3.748 -4.921 1.00 0.00 O ATOM 892 CB GLU A 55 -7.163 -6.381 -5.887 1.00 0.00 C ATOM 893 CG GLU A 55 -7.227 -7.855 -6.248 1.00 0.00 C ATOM 894 CD GLU A 55 -7.688 -8.081 -7.674 1.00 0.00 C ATOM 895 OE1 GLU A 55 -6.843 -8.035 -8.592 1.00 0.00 O ATOM 896 OE2 GLU A 55 -8.898 -8.310 -7.887 1.00 0.00 O ATOM 0 H GLU A 55 -8.436 -5.248 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.063 -6.822 -4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.134 -5.931 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.441 -5.894 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.243 -8.303 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.906 -8.365 -5.564 1.00 0.00 H new ATOM 903 N VAL A 56 -5.086 -4.529 -3.767 1.00 0.00 N ATOM 904 CA VAL A 56 -4.453 -3.226 -3.664 1.00 0.00 C ATOM 905 C VAL A 56 -3.326 -3.204 -4.623 1.00 0.00 C ATOM 906 O VAL A 56 -2.714 -4.224 -4.902 1.00 0.00 O ATOM 907 CB VAL A 56 -3.880 -2.911 -2.248 1.00 0.00 C ATOM 908 CG1 VAL A 56 -4.172 -4.071 -1.373 1.00 0.00 C ATOM 909 CG2 VAL A 56 -2.352 -2.579 -2.292 1.00 0.00 C ATOM 0 H VAL A 56 -4.575 -5.287 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.216 -2.476 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.358 -2.017 -1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.782 -3.880 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.250 -4.224 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.699 -4.964 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.997 -2.366 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.806 -3.431 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.187 -1.708 -2.926 1.00 0.00 H new ATOM 919 N THR A 57 -3.090 -2.064 -5.142 1.00 0.00 N ATOM 920 CA THR A 57 -1.865 -1.808 -5.855 1.00 0.00 C ATOM 921 C THR A 57 -1.533 -0.343 -5.742 1.00 0.00 C ATOM 922 O THR A 57 -2.134 0.505 -6.385 1.00 0.00 O ATOM 923 CB THR A 57 -1.934 -2.212 -7.337 1.00 0.00 C ATOM 924 OG1 THR A 57 -2.443 -3.546 -7.465 1.00 0.00 O ATOM 925 CG2 THR A 57 -0.560 -2.129 -7.989 1.00 0.00 C ATOM 0 H THR A 57 -3.728 -1.270 -5.095 1.00 0.00 H new ATOM 0 HA THR A 57 -1.087 -2.421 -5.401 1.00 0.00 H new ATOM 0 HB THR A 57 -2.605 -1.517 -7.843 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.484 -3.791 -8.413 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.636 -2.420 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.187 -1.107 -7.922 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.128 -2.801 -7.475 1.00 0.00 H new ATOM 933 N ILE A 58 -0.568 -0.078 -4.925 1.00 0.00 N ATOM 934 CA ILE A 58 -0.247 1.256 -4.497 1.00 0.00 C ATOM 935 C ILE A 58 1.166 1.629 -4.984 1.00 0.00 C ATOM 936 O ILE A 58 2.166 1.358 -4.310 1.00 0.00 O ATOM 937 CB ILE A 58 -0.318 1.256 -2.956 1.00 0.00 C ATOM 938 CG1 ILE A 58 -1.770 1.141 -2.484 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.345 2.487 -2.347 1.00 0.00 C ATOM 940 CD1 ILE A 58 -1.915 0.933 -0.991 1.00 0.00 C ATOM 0 H ILE A 58 0.037 -0.795 -4.524 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.940 1.990 -4.909 1.00 0.00 H new ATOM 0 HB ILE A 58 0.238 0.385 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.307 2.046 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.246 0.310 -3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.269 2.441 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.395 2.515 -2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.155 3.386 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.972 0.861 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.408 0.013 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.470 1.775 -0.461 1.00 0.00 H new ATOM 952 N PRO A 59 1.271 2.166 -6.207 1.00 0.00 N ATOM 953 CA PRO A 59 2.519 2.716 -6.743 1.00 0.00 C ATOM 954 C PRO A 59 2.918 4.026 -6.079 1.00 0.00 C ATOM 955 O PRO A 59 2.373 5.087 -6.392 1.00 0.00 O ATOM 956 CB PRO A 59 2.193 2.972 -8.226 1.00 0.00 C ATOM 957 CG PRO A 59 0.975 2.163 -8.489 1.00 0.00 C ATOM 958 CD PRO A 59 0.210 2.210 -7.207 1.00 0.00 C ATOM 0 HA PRO A 59 3.355 2.036 -6.575 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.014 4.030 -8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.017 2.668 -8.871 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.394 2.577 -9.313 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.230 1.139 -8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.389 3.117 -7.124 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.474 1.367 -7.111 1.00 0.00 H new ATOM 966 N LEU A 60 3.857 3.953 -5.153 1.00 0.00 N ATOM 967 CA LEU A 60 4.449 5.122 -4.581 1.00 0.00 C ATOM 968 C LEU A 60 5.648 5.523 -5.430 1.00 0.00 C ATOM 969 O LEU A 60 5.945 4.862 -6.429 1.00 0.00 O ATOM 970 CB LEU A 60 4.888 4.799 -3.160 1.00 0.00 C ATOM 971 CG LEU A 60 3.791 4.272 -2.233 1.00 0.00 C ATOM 972 CD1 LEU A 60 4.364 3.947 -0.867 1.00 0.00 C ATOM 973 CD2 LEU A 60 2.662 5.278 -2.102 1.00 0.00 C ATOM 0 H LEU A 60 4.223 3.075 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 60 3.737 5.947 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.687 4.059 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.312 5.700 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 60 3.387 3.360 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.571 3.573 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.138 3.186 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.795 4.847 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.895 4.880 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.051 6.209 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.229 5.468 -3.084 1.00 0.00 H new ATOM 985 N LYS A 61 6.327 6.599 -5.065 1.00 0.00 N ATOM 986 CA LYS A 61 7.578 6.937 -5.705 1.00 0.00 C ATOM 987 C LYS A 61 8.535 5.813 -5.436 1.00 0.00 C ATOM 988 O LYS A 61 9.112 5.207 -6.339 1.00 0.00 O ATOM 989 CB LYS A 61 8.169 8.177 -5.066 1.00 0.00 C ATOM 990 CG LYS A 61 9.233 8.898 -5.896 1.00 0.00 C ATOM 991 CD LYS A 61 10.530 8.102 -5.983 1.00 0.00 C ATOM 992 CE LYS A 61 11.601 8.839 -6.770 1.00 0.00 C ATOM 993 NZ LYS A 61 12.017 10.100 -6.101 1.00 0.00 N ATOM 0 H LYS A 61 6.032 7.246 -4.334 1.00 0.00 H new ATOM 0 HA LYS A 61 7.413 7.105 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.361 8.877 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.607 7.898 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.849 9.076 -6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.436 9.874 -5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.897 7.896 -4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.333 7.139 -6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.469 8.192 -6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.226 9.065 -7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.869 10.474 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.250 10.799 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.223 9.910 -5.099 1.00 0.00 H new ATOM 1007 N ASN A 62 8.671 5.557 -4.148 1.00 0.00 N ATOM 1008 CA ASN A 62 9.684 4.680 -3.653 1.00 0.00 C ATOM 1009 C ASN A 62 9.477 3.258 -4.165 1.00 0.00 C ATOM 1010 O ASN A 62 10.338 2.693 -4.839 1.00 0.00 O ATOM 1011 CB ASN A 62 9.695 4.693 -2.148 1.00 0.00 C ATOM 1012 CG ASN A 62 10.889 3.968 -1.550 1.00 0.00 C ATOM 1013 OD1 ASN A 62 10.771 3.315 -0.518 1.00 0.00 O ATOM 1014 ND2 ASN A 62 12.049 4.102 -2.175 1.00 0.00 N ATOM 0 H ASN A 62 8.075 5.958 -3.424 1.00 0.00 H new ATOM 0 HA ASN A 62 10.647 5.036 -4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.694 5.726 -1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.778 4.233 -1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.885 3.654 -1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.106 4.653 -3.031 1.00 0.00 H new ATOM 1021 N VAL A 63 8.315 2.697 -3.848 1.00 0.00 N ATOM 1022 CA VAL A 63 7.985 1.337 -4.222 1.00 0.00 C ATOM 1023 C VAL A 63 6.495 1.199 -4.561 1.00 0.00 C ATOM 1024 O VAL A 63 5.669 2.002 -4.133 1.00 0.00 O ATOM 1025 CB VAL A 63 8.354 0.394 -3.062 1.00 0.00 C ATOM 1026 CG1 VAL A 63 7.503 0.684 -1.836 1.00 0.00 C ATOM 1027 CG2 VAL A 63 8.258 -1.072 -3.465 1.00 0.00 C ATOM 0 H VAL A 63 7.581 3.175 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 63 8.553 1.070 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 63 9.396 0.586 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.782 0.005 -1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.665 1.713 -1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.451 0.542 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.527 -1.701 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.238 -1.298 -3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.941 -1.267 -4.292 1.00 0.00 H new ATOM 1037 N THR A 64 6.174 0.183 -5.343 1.00 0.00 N ATOM 1038 CA THR A 64 4.797 -0.136 -5.688 1.00 0.00 C ATOM 1039 C THR A 64 4.362 -1.408 -4.962 1.00 0.00 C ATOM 1040 O THR A 64 4.977 -2.461 -5.139 1.00 0.00 O ATOM 1041 CB THR A 64 4.646 -0.358 -7.206 1.00 0.00 C ATOM 1042 OG1 THR A 64 5.026 0.828 -7.916 1.00 0.00 O ATOM 1043 CG2 THR A 64 3.215 -0.739 -7.565 1.00 0.00 C ATOM 0 H THR A 64 6.861 -0.446 -5.758 1.00 0.00 H new ATOM 0 HA THR A 64 4.172 0.704 -5.386 1.00 0.00 H new ATOM 0 HB THR A 64 5.302 -1.179 -7.495 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.929 0.678 -8.880 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.138 -0.889 -8.642 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.944 -1.660 -7.050 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.539 0.060 -7.261 1.00 0.00 H new ATOM 1051 N LEU A 65 3.326 -1.322 -4.137 1.00 0.00 N ATOM 1052 CA LEU A 65 2.828 -2.511 -3.453 1.00 0.00 C ATOM 1053 C LEU A 65 1.537 -3.015 -4.055 1.00 0.00 C ATOM 1054 O LEU A 65 0.843 -2.290 -4.755 1.00 0.00 O ATOM 1055 CB LEU A 65 2.597 -2.286 -1.969 1.00 0.00 C ATOM 1056 CG LEU A 65 3.875 -2.269 -1.110 1.00 0.00 C ATOM 1057 CD1 LEU A 65 4.471 -0.870 -0.949 1.00 0.00 C ATOM 1058 CD2 LEU A 65 3.596 -2.906 0.234 1.00 0.00 C ATOM 0 H LEU A 65 2.822 -0.460 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 65 3.614 -3.255 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.075 -1.338 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.936 -3.069 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 65 4.630 -2.853 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.369 -0.926 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.727 -0.469 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.742 -0.217 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.503 -2.892 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.811 -2.349 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.273 -3.937 0.088 1.00 0.00 H new ATOM 1070 N ARG A 66 1.232 -4.272 -3.779 1.00 0.00 N ATOM 1071 CA ARG A 66 -0.006 -4.869 -4.204 1.00 0.00 C ATOM 1072 C ARG A 66 -0.458 -5.965 -3.243 1.00 0.00 C ATOM 1073 O ARG A 66 0.351 -6.691 -2.664 1.00 0.00 O ATOM 1074 CB ARG A 66 0.220 -5.425 -5.591 1.00 0.00 C ATOM 1075 CG ARG A 66 -0.978 -6.057 -6.297 1.00 0.00 C ATOM 1076 CD ARG A 66 -1.190 -7.497 -5.885 1.00 0.00 C ATOM 1077 NE ARG A 66 -0.014 -8.322 -6.163 1.00 0.00 N ATOM 1078 CZ ARG A 66 0.425 -9.302 -5.374 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -0.167 -9.547 -4.211 1.00 0.00 N ATOM 1080 NH2 ARG A 66 1.474 -10.027 -5.743 1.00 0.00 N ATOM 0 H ARG A 66 1.840 -4.900 -3.254 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.800 -4.122 -4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.595 -4.618 -6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.009 -6.175 -5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.875 -5.481 -6.072 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.829 -6.008 -7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.420 -7.540 -4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.052 -7.903 -6.414 1.00 0.00 H new ATOM 0 HE ARG A 66 0.506 -8.134 -7.020 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.964 -8.983 -3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.175 -10.299 -3.613 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.942 -9.833 -6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.812 -10.778 -5.141 1.00 0.00 H new ATOM 1094 N ALA A 67 -1.758 -6.061 -3.100 1.00 0.00 N ATOM 1095 CA ALA A 67 -2.402 -7.205 -2.410 1.00 0.00 C ATOM 1096 C ALA A 67 -3.519 -7.727 -3.289 1.00 0.00 C ATOM 1097 O ALA A 67 -4.018 -6.999 -4.138 1.00 0.00 O ATOM 1098 CB ALA A 67 -2.966 -6.890 -1.000 1.00 0.00 C ATOM 0 H ALA A 67 -2.416 -5.364 -3.449 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.618 -7.945 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.416 -7.789 -0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.158 -6.551 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.721 -6.108 -1.077 1.00 0.00 H new ATOM 1104 N GLU A 68 -3.887 -8.977 -3.116 1.00 0.00 N ATOM 1105 CA GLU A 68 -4.972 -9.564 -3.884 1.00 0.00 C ATOM 1106 C GLU A 68 -5.540 -10.760 -3.124 1.00 0.00 C ATOM 1107 O GLU A 68 -5.288 -11.915 -3.473 1.00 0.00 O ATOM 1108 CB GLU A 68 -4.461 -9.993 -5.262 1.00 0.00 C ATOM 1109 CG GLU A 68 -3.114 -10.696 -5.206 1.00 0.00 C ATOM 1110 CD GLU A 68 -2.737 -11.347 -6.518 1.00 0.00 C ATOM 1111 OE1 GLU A 68 -1.995 -10.726 -7.307 1.00 0.00 O ATOM 1112 OE2 GLU A 68 -3.174 -12.490 -6.764 1.00 0.00 O ATOM 0 H GLU A 68 -3.451 -9.612 -2.448 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.763 -8.827 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.192 -10.657 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.379 -9.115 -5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.345 -9.975 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.137 -11.454 -4.423 1.00 0.00 H new ATOM 1119 N GLU A 69 -6.317 -10.484 -2.093 1.00 0.00 N ATOM 1120 CA GLU A 69 -6.681 -11.521 -1.132 1.00 0.00 C ATOM 1121 C GLU A 69 -8.158 -11.472 -0.787 1.00 0.00 C ATOM 1122 O GLU A 69 -8.766 -10.404 -0.756 1.00 0.00 O ATOM 1123 CB GLU A 69 -5.839 -11.374 0.138 1.00 0.00 C ATOM 1124 CG GLU A 69 -4.365 -11.661 -0.082 1.00 0.00 C ATOM 1125 CD GLU A 69 -3.509 -11.333 1.123 1.00 0.00 C ATOM 1126 OE1 GLU A 69 -2.584 -10.503 0.987 1.00 0.00 O ATOM 1127 OE2 GLU A 69 -3.754 -11.905 2.205 1.00 0.00 O ATOM 0 H GLU A 69 -6.707 -9.562 -1.896 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.480 -12.489 -1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.951 -10.361 0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.224 -12.051 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.240 -12.714 -0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.013 -11.085 -0.938 1.00 0.00 H new ATOM 1134 N ARG A 70 -8.731 -12.633 -0.515 1.00 0.00 N ATOM 1135 CA ARG A 70 -10.137 -12.720 -0.166 1.00 0.00 C ATOM 1136 C ARG A 70 -10.323 -12.663 1.343 1.00 0.00 C ATOM 1137 O ARG A 70 -10.873 -13.570 1.967 1.00 0.00 O ATOM 1138 CB ARG A 70 -10.767 -13.985 -0.761 1.00 0.00 C ATOM 1139 CG ARG A 70 -10.119 -15.282 -0.307 1.00 0.00 C ATOM 1140 CD ARG A 70 -10.765 -16.483 -0.973 1.00 0.00 C ATOM 1141 NE ARG A 70 -12.217 -16.503 -0.787 1.00 0.00 N ATOM 1142 CZ ARG A 70 -12.979 -17.576 -1.000 1.00 0.00 C ATOM 1143 NH1 ARG A 70 -12.428 -18.725 -1.377 1.00 0.00 N ATOM 1144 NH2 ARG A 70 -14.292 -17.496 -0.835 1.00 0.00 N ATOM 0 H ARG A 70 -8.243 -13.528 -0.530 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.652 -11.860 -0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.824 -14.009 -0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.712 -13.927 -1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.055 -15.261 -0.542 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.204 -15.374 0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.537 -16.472 -2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.335 -17.398 -0.565 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.673 -15.645 -0.476 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.418 -18.789 -1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.015 -19.543 -1.539 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.717 -16.615 -0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.877 -18.315 -0.997 1.00 0.00 H new ATOM 1158 N ASN A 71 -9.863 -11.573 1.917 1.00 0.00 N ATOM 1159 CA ASN A 71 -9.972 -11.353 3.351 1.00 0.00 C ATOM 1160 C ASN A 71 -11.280 -10.640 3.645 1.00 0.00 C ATOM 1161 O ASN A 71 -11.508 -9.539 3.151 1.00 0.00 O ATOM 1162 CB ASN A 71 -8.780 -10.528 3.853 1.00 0.00 C ATOM 1163 CG ASN A 71 -8.701 -10.407 5.322 1.00 0.00 C ATOM 1164 OD1 ASN A 71 -9.667 -10.584 6.062 1.00 0.00 O ATOM 1165 ND2 ASN A 71 -7.530 -10.057 5.740 1.00 0.00 N ATOM 0 H ASN A 71 -9.405 -10.816 1.411 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.961 -12.311 3.871 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.859 -10.982 3.487 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.836 -9.529 3.420 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.367 -9.912 6.736 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.769 -9.926 5.074 1.00 0.00 H new ATOM 1172 N ASP A 72 -12.133 -11.281 4.447 1.00 0.00 N ATOM 1173 CA ASP A 72 -13.480 -10.778 4.728 1.00 0.00 C ATOM 1174 C ASP A 72 -13.448 -9.370 5.312 1.00 0.00 C ATOM 1175 O ASP A 72 -14.419 -8.623 5.203 1.00 0.00 O ATOM 1176 CB ASP A 72 -14.231 -11.726 5.670 1.00 0.00 C ATOM 1177 CG ASP A 72 -13.583 -11.845 7.032 1.00 0.00 C ATOM 1178 OD1 ASP A 72 -14.153 -11.330 8.014 1.00 0.00 O ATOM 1179 OD2 ASP A 72 -12.499 -12.460 7.130 1.00 0.00 O ATOM 0 H ASP A 72 -11.912 -12.158 4.918 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.012 -10.733 3.777 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.255 -11.373 5.791 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.287 -12.714 5.213 1.00 0.00 H new ATOM 1184 N ASP A 73 -12.338 -9.014 5.939 1.00 0.00 N ATOM 1185 CA ASP A 73 -12.100 -7.650 6.334 1.00 0.00 C ATOM 1186 C ASP A 73 -11.251 -6.976 5.320 1.00 0.00 C ATOM 1187 O ASP A 73 -10.041 -7.163 5.226 1.00 0.00 O ATOM 1188 CB ASP A 73 -11.447 -7.570 7.708 1.00 0.00 C ATOM 1189 CG ASP A 73 -12.350 -8.020 8.838 1.00 0.00 C ATOM 1190 OD1 ASP A 73 -13.333 -7.312 9.143 1.00 0.00 O ATOM 1191 OD2 ASP A 73 -12.068 -9.072 9.447 1.00 0.00 O ATOM 0 H ASP A 73 -11.588 -9.661 6.183 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.062 -7.142 6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.546 -8.183 7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.133 -6.542 7.892 1.00 0.00 H new ATOM 1196 N LEU A 74 -11.962 -6.239 4.528 1.00 0.00 N ATOM 1197 CA LEU A 74 -11.433 -5.232 3.667 1.00 0.00 C ATOM 1198 C LEU A 74 -10.299 -4.494 4.312 1.00 0.00 C ATOM 1199 O LEU A 74 -9.205 -4.370 3.759 1.00 0.00 O ATOM 1200 CB LEU A 74 -12.568 -4.262 3.465 1.00 0.00 C ATOM 1201 CG LEU A 74 -12.229 -2.880 2.890 1.00 0.00 C ATOM 1202 CD1 LEU A 74 -11.335 -2.990 1.674 1.00 0.00 C ATOM 1203 CD2 LEU A 74 -13.503 -2.130 2.542 1.00 0.00 C ATOM 0 H LEU A 74 -12.976 -6.328 4.461 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.056 -5.673 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.297 -4.731 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.059 -4.114 4.427 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.685 -2.324 3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.115 -1.993 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.405 -3.486 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.841 -3.570 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.249 -1.151 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.067 -2.696 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.108 -2.004 3.440 1.00 0.00 H new ATOM 1215 N TYR A 75 -10.594 -4.003 5.500 1.00 0.00 N ATOM 1216 CA TYR A 75 -9.704 -3.107 6.141 1.00 0.00 C ATOM 1217 C TYR A 75 -8.468 -3.864 6.568 1.00 0.00 C ATOM 1218 O TYR A 75 -7.403 -3.295 6.750 1.00 0.00 O ATOM 1219 CB TYR A 75 -10.348 -2.411 7.333 1.00 0.00 C ATOM 1220 CG TYR A 75 -11.307 -1.414 6.968 1.00 0.00 C ATOM 1221 CD1 TYR A 75 -11.198 -0.696 5.817 1.00 0.00 C ATOM 1222 CD2 TYR A 75 -12.322 -1.176 7.813 1.00 0.00 C ATOM 1223 CE1 TYR A 75 -12.091 0.240 5.518 1.00 0.00 C ATOM 1224 CE2 TYR A 75 -13.229 -0.247 7.541 1.00 0.00 C ATOM 1225 CZ TYR A 75 -13.136 0.489 6.382 1.00 0.00 C ATOM 1226 OH TYR A 75 -14.075 1.453 6.093 1.00 0.00 O ATOM 0 H TYR A 75 -11.442 -4.219 6.023 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.434 -2.324 5.432 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -10.835 -3.159 7.959 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -9.568 -1.948 7.937 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.378 -0.889 5.141 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -12.401 -1.748 8.726 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -11.999 0.804 4.602 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -14.041 -0.068 8.230 1.00 0.00 H new ATOM 0 HH TYR A 75 -14.738 1.490 6.813 1.00 0.00 H new ATOM 1236 N ALA A 76 -8.637 -5.175 6.681 1.00 0.00 N ATOM 1237 CA ALA A 76 -7.581 -6.066 7.080 1.00 0.00 C ATOM 1238 C ALA A 76 -6.761 -6.433 5.878 1.00 0.00 C ATOM 1239 O ALA A 76 -5.581 -6.725 5.986 1.00 0.00 O ATOM 1240 CB ALA A 76 -8.165 -7.320 7.673 1.00 0.00 C ATOM 0 H ALA A 76 -9.523 -5.644 6.494 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.956 -5.569 7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.359 -7.990 7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.767 -7.064 8.545 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.792 -7.815 6.932 1.00 0.00 H new ATOM 1246 N GLY A 77 -7.410 -6.436 4.726 1.00 0.00 N ATOM 1247 CA GLY A 77 -6.716 -6.700 3.502 1.00 0.00 C ATOM 1248 C GLY A 77 -5.870 -5.515 3.087 1.00 0.00 C ATOM 1249 O GLY A 77 -4.691 -5.648 2.755 1.00 0.00 O ATOM 0 H GLY A 77 -8.409 -6.259 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.082 -7.579 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.435 -6.931 2.716 1.00 0.00 H new ATOM 1253 N ILE A 78 -6.505 -4.346 3.106 1.00 0.00 N ATOM 1254 CA ILE A 78 -5.830 -3.111 2.852 1.00 0.00 C ATOM 1255 C ILE A 78 -4.749 -2.854 3.917 1.00 0.00 C ATOM 1256 O ILE A 78 -3.697 -2.350 3.590 1.00 0.00 O ATOM 1257 CB ILE A 78 -6.824 -1.926 2.793 1.00 0.00 C ATOM 1258 CG1 ILE A 78 -7.691 -2.039 1.536 1.00 0.00 C ATOM 1259 CG2 ILE A 78 -6.095 -0.588 2.822 1.00 0.00 C ATOM 1260 CD1 ILE A 78 -8.642 -0.877 1.345 1.00 0.00 C ATOM 0 H ILE A 78 -7.501 -4.246 3.299 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.348 -3.192 1.878 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.464 -1.971 3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.042 -2.113 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.266 -2.963 1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.822 0.223 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.516 -0.509 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.425 -0.520 1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.222 -1.028 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.316 -0.815 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.073 0.049 1.264 1.00 0.00 H new ATOM 1272 N ASP A 79 -5.018 -3.202 5.190 1.00 0.00 N ATOM 1273 CA ASP A 79 -4.001 -3.128 6.276 1.00 0.00 C ATOM 1274 C ASP A 79 -2.962 -4.199 6.110 1.00 0.00 C ATOM 1275 O ASP A 79 -1.812 -3.967 6.404 1.00 0.00 O ATOM 1276 CB ASP A 79 -4.656 -3.259 7.652 1.00 0.00 C ATOM 1277 CG ASP A 79 -3.677 -3.045 8.791 1.00 0.00 C ATOM 1278 OD1 ASP A 79 -3.231 -4.044 9.395 1.00 0.00 O ATOM 1279 OD2 ASP A 79 -3.369 -1.875 9.104 1.00 0.00 O ATOM 0 H ASP A 79 -5.930 -3.538 5.500 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.520 -2.153 6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.466 -2.535 7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.103 -4.249 7.744 1.00 0.00 H new ATOM 1284 N LEU A 80 -3.343 -5.363 5.635 1.00 0.00 N ATOM 1285 CA LEU A 80 -2.355 -6.368 5.316 1.00 0.00 C ATOM 1286 C LEU A 80 -1.367 -5.737 4.360 1.00 0.00 C ATOM 1287 O LEU A 80 -0.172 -5.672 4.643 1.00 0.00 O ATOM 1288 CB LEU A 80 -3.011 -7.615 4.699 1.00 0.00 C ATOM 1289 CG LEU A 80 -2.251 -8.941 4.865 1.00 0.00 C ATOM 1290 CD1 LEU A 80 -0.903 -8.902 4.165 1.00 0.00 C ATOM 1291 CD2 LEU A 80 -2.078 -9.276 6.340 1.00 0.00 C ATOM 0 H LEU A 80 -4.311 -5.634 5.463 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.847 -6.704 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.002 -7.732 5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.154 -7.434 3.634 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.845 -9.725 4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.394 -9.856 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.051 -8.721 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.296 -8.102 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.538 -10.218 6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.515 -8.482 6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.057 -9.369 6.809 1.00 0.00 H new ATOM 1303 N ILE A 81 -1.878 -5.231 3.243 1.00 0.00 N ATOM 1304 CA ILE A 81 -1.033 -4.506 2.332 1.00 0.00 C ATOM 1305 C ILE A 81 -0.432 -3.225 2.926 1.00 0.00 C ATOM 1306 O ILE A 81 0.723 -2.947 2.678 1.00 0.00 O ATOM 1307 CB ILE A 81 -1.770 -4.170 1.037 1.00 0.00 C ATOM 1308 CG1 ILE A 81 -0.930 -4.675 -0.127 1.00 0.00 C ATOM 1309 CG2 ILE A 81 -2.047 -2.668 0.924 1.00 0.00 C ATOM 1310 CD1 ILE A 81 0.434 -4.063 -0.216 1.00 0.00 C ATOM 0 H ILE A 81 -2.854 -5.312 2.960 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.203 -5.180 2.121 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.744 -4.659 1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.825 -5.757 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.464 -4.479 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.572 -2.464 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.662 -2.347 1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.104 -2.122 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.964 -4.479 -1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.341 -2.984 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.991 -4.281 0.696 1.00 0.00 H new ATOM 1322 N ASN A 82 -1.186 -2.452 3.698 1.00 0.00 N ATOM 1323 CA ASN A 82 -0.742 -1.113 4.117 1.00 0.00 C ATOM 1324 C ASN A 82 0.235 -1.185 5.267 1.00 0.00 C ATOM 1325 O ASN A 82 1.104 -0.330 5.432 1.00 0.00 O ATOM 1326 CB ASN A 82 -1.934 -0.244 4.512 1.00 0.00 C ATOM 1327 CG ASN A 82 -2.231 0.822 3.478 1.00 0.00 C ATOM 1328 OD1 ASN A 82 -1.754 1.949 3.575 1.00 0.00 O ATOM 1329 ND2 ASN A 82 -3.020 0.470 2.477 1.00 0.00 N ATOM 0 H ASN A 82 -2.105 -2.721 4.049 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.236 -0.662 3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.813 -0.874 4.645 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.734 0.230 5.473 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.252 1.146 1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -3.396 -0.477 2.433 1.00 0.00 H new ATOM 1336 N ASN A 83 0.084 -2.208 6.058 1.00 0.00 N ATOM 1337 CA ASN A 83 0.970 -2.450 7.161 1.00 0.00 C ATOM 1338 C ASN A 83 2.232 -3.122 6.617 1.00 0.00 C ATOM 1339 O ASN A 83 3.359 -2.808 7.020 1.00 0.00 O ATOM 1340 CB ASN A 83 0.198 -3.289 8.181 1.00 0.00 C ATOM 1341 CG ASN A 83 0.766 -4.682 8.403 1.00 0.00 C ATOM 1342 OD1 ASN A 83 0.385 -5.641 7.728 1.00 0.00 O ATOM 1343 ND2 ASN A 83 1.668 -4.809 9.364 1.00 0.00 N ATOM 0 H ASN A 83 -0.659 -2.900 5.956 1.00 0.00 H new ATOM 0 HA ASN A 83 1.299 -1.543 7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.184 -2.759 9.133 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.837 -3.380 7.851 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.072 -5.723 9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.959 -3.992 9.902 1.00 0.00 H new ATOM 1350 N LYS A 84 2.013 -4.025 5.656 1.00 0.00 N ATOM 1351 CA LYS A 84 3.116 -4.567 4.871 1.00 0.00 C ATOM 1352 C LYS A 84 3.712 -3.458 4.008 1.00 0.00 C ATOM 1353 O LYS A 84 4.836 -3.556 3.554 1.00 0.00 O ATOM 1354 CB LYS A 84 2.647 -5.721 3.979 1.00 0.00 C ATOM 1355 CG LYS A 84 3.767 -6.377 3.182 1.00 0.00 C ATOM 1356 CD LYS A 84 3.228 -7.348 2.142 1.00 0.00 C ATOM 1357 CE LYS A 84 2.468 -8.499 2.781 1.00 0.00 C ATOM 1358 NZ LYS A 84 1.963 -9.457 1.765 1.00 0.00 N ATOM 0 H LYS A 84 1.093 -4.389 5.408 1.00 0.00 H new ATOM 0 HA LYS A 84 3.871 -4.954 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.166 -6.476 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.891 -5.349 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.360 -5.607 2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.435 -6.906 3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.570 -6.816 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.054 -7.742 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.120 -9.021 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.631 -8.106 3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.450 -10.228 2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.321 -8.964 1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.764 -9.851 1.231 1.00 0.00 H new ATOM 1372 N LEU A 85 2.934 -2.409 3.786 1.00 0.00 N ATOM 1373 CA LEU A 85 3.366 -1.258 3.017 1.00 0.00 C ATOM 1374 C LEU A 85 4.371 -0.494 3.810 1.00 0.00 C ATOM 1375 O LEU A 85 5.459 -0.253 3.332 1.00 0.00 O ATOM 1376 CB LEU A 85 2.176 -0.369 2.623 1.00 0.00 C ATOM 1377 CG LEU A 85 2.503 0.884 1.803 1.00 0.00 C ATOM 1378 CD1 LEU A 85 1.339 1.229 0.893 1.00 0.00 C ATOM 1379 CD2 LEU A 85 2.806 2.063 2.712 1.00 0.00 C ATOM 0 H LEU A 85 1.980 -2.335 4.138 1.00 0.00 H new ATOM 0 HA LEU A 85 3.824 -1.600 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.471 -0.975 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.666 -0.057 3.534 1.00 0.00 H new ATOM 0 HG LEU A 85 3.386 0.674 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.581 2.121 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.148 0.397 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.450 1.417 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.035 2.940 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.939 2.271 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.662 1.825 3.344 1.00 0.00 H new ATOM 1391 N GLU A 86 4.023 -0.139 5.035 1.00 0.00 N ATOM 1392 CA GLU A 86 4.991 0.456 5.925 1.00 0.00 C ATOM 1393 C GLU A 86 6.222 -0.439 5.985 1.00 0.00 C ATOM 1394 O GLU A 86 7.351 0.034 5.882 1.00 0.00 O ATOM 1395 CB GLU A 86 4.386 0.643 7.312 1.00 0.00 C ATOM 1396 CG GLU A 86 3.400 1.796 7.396 1.00 0.00 C ATOM 1397 CD GLU A 86 3.018 2.129 8.823 1.00 0.00 C ATOM 1398 OE1 GLU A 86 2.012 1.581 9.319 1.00 0.00 O ATOM 1399 OE2 GLU A 86 3.728 2.942 9.456 1.00 0.00 O ATOM 0 H GLU A 86 3.088 -0.252 5.428 1.00 0.00 H new ATOM 0 HA GLU A 86 5.281 1.438 5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.882 -0.277 7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.189 0.810 8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.835 2.677 6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.502 1.544 6.832 1.00 0.00 H new ATOM 1406 N ARG A 87 5.976 -1.750 6.102 1.00 0.00 N ATOM 1407 CA ARG A 87 7.063 -2.730 6.126 1.00 0.00 C ATOM 1408 C ARG A 87 7.891 -2.729 4.828 1.00 0.00 C ATOM 1409 O ARG A 87 9.123 -2.782 4.865 1.00 0.00 O ATOM 1410 CB ARG A 87 6.506 -4.103 6.369 1.00 0.00 C ATOM 1411 CG ARG A 87 7.560 -5.182 6.564 1.00 0.00 C ATOM 1412 CD ARG A 87 6.929 -6.563 6.608 1.00 0.00 C ATOM 1413 NE ARG A 87 5.858 -6.640 7.599 1.00 0.00 N ATOM 1414 CZ ARG A 87 4.781 -7.417 7.477 1.00 0.00 C ATOM 1415 NH1 ARG A 87 4.634 -8.204 6.417 1.00 0.00 N ATOM 1416 NH2 ARG A 87 3.850 -7.409 8.423 1.00 0.00 N ATOM 0 H ARG A 87 5.042 -2.152 6.181 1.00 0.00 H new ATOM 0 HA ARG A 87 7.733 -2.446 6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.867 -4.072 7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.872 -4.379 5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.286 -5.136 5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.105 -4.999 7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.532 -6.813 5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.693 -7.304 6.841 1.00 0.00 H new ATOM 0 HE ARG A 87 5.939 -6.063 8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.348 -8.217 5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.807 -8.795 6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.959 -6.809 9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.025 -8.002 8.332 1.00 0.00 H new ATOM 1430 N GLN A 88 7.222 -2.611 3.689 1.00 0.00 N ATOM 1431 CA GLN A 88 7.865 -2.833 2.395 1.00 0.00 C ATOM 1432 C GLN A 88 8.502 -1.549 1.968 1.00 0.00 C ATOM 1433 O GLN A 88 9.606 -1.514 1.427 1.00 0.00 O ATOM 1434 CB GLN A 88 6.849 -3.241 1.326 1.00 0.00 C ATOM 1435 CG GLN A 88 7.441 -4.061 0.193 1.00 0.00 C ATOM 1436 CD GLN A 88 7.894 -5.434 0.647 1.00 0.00 C ATOM 1437 OE1 GLN A 88 7.327 -6.013 1.573 1.00 0.00 O ATOM 1438 NE2 GLN A 88 8.913 -5.968 -0.003 1.00 0.00 N ATOM 0 H GLN A 88 6.234 -2.363 3.632 1.00 0.00 H new ATOM 0 HA GLN A 88 8.596 -3.635 2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.051 -3.815 1.798 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.393 -2.342 0.911 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.700 -4.170 -0.599 1.00 0.00 H new ATOM 0 HG3 GLN A 88 8.288 -3.525 -0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.356 -5.456 -0.765 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.256 -6.892 0.258 1.00 0.00 H new ATOM 1447 N VAL A 89 7.756 -0.498 2.223 1.00 0.00 N ATOM 1448 CA VAL A 89 8.190 0.840 1.985 1.00 0.00 C ATOM 1449 C VAL A 89 9.487 1.096 2.717 1.00 0.00 C ATOM 1450 O VAL A 89 10.478 1.515 2.125 1.00 0.00 O ATOM 1451 CB VAL A 89 7.106 1.834 2.436 1.00 0.00 C ATOM 1452 CG1 VAL A 89 7.694 3.196 2.797 1.00 0.00 C ATOM 1453 CG2 VAL A 89 6.063 1.991 1.345 1.00 0.00 C ATOM 0 H VAL A 89 6.814 -0.562 2.609 1.00 0.00 H new ATOM 0 HA VAL A 89 8.360 0.978 0.917 1.00 0.00 H new ATOM 0 HB VAL A 89 6.640 1.429 3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.894 3.867 3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.409 3.079 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.200 3.616 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.299 2.696 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.538 2.365 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.602 1.025 1.141 1.00 0.00 H new ATOM 1463 N ARG A 90 9.476 0.801 4.008 1.00 0.00 N ATOM 1464 CA ARG A 90 10.675 0.997 4.817 1.00 0.00 C ATOM 1465 C ARG A 90 11.757 0.025 4.402 1.00 0.00 C ATOM 1466 O ARG A 90 12.920 0.389 4.371 1.00 0.00 O ATOM 1467 CB ARG A 90 10.436 0.882 6.324 1.00 0.00 C ATOM 1468 CG ARG A 90 10.097 -0.516 6.813 1.00 0.00 C ATOM 1469 CD ARG A 90 9.719 -0.511 8.283 1.00 0.00 C ATOM 1470 NE ARG A 90 10.761 0.081 9.122 1.00 0.00 N ATOM 1471 CZ ARG A 90 10.548 0.555 10.347 1.00 0.00 C ATOM 1472 NH1 ARG A 90 9.329 0.528 10.870 1.00 0.00 N ATOM 1473 NH2 ARG A 90 11.551 1.072 11.044 1.00 0.00 N ATOM 0 H ARG A 90 8.670 0.432 4.512 1.00 0.00 H new ATOM 0 HA ARG A 90 10.991 2.023 4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.328 1.227 6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.624 1.555 6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.272 -0.919 6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.951 -1.175 6.657 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.790 0.044 8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.529 -1.533 8.611 1.00 0.00 H new ATOM 0 HE ARG A 90 11.707 0.134 8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.552 0.143 10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.169 0.892 11.809 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.487 1.107 10.641 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.386 1.435 11.983 1.00 0.00 H new ATOM 1487 N LYS A 91 11.383 -1.203 4.058 1.00 0.00 N ATOM 1488 CA LYS A 91 12.360 -2.171 3.615 1.00 0.00 C ATOM 1489 C LYS A 91 13.085 -1.643 2.393 1.00 0.00 C ATOM 1490 O LYS A 91 14.308 -1.703 2.301 1.00 0.00 O ATOM 1491 CB LYS A 91 11.705 -3.474 3.317 1.00 0.00 C ATOM 1492 CG LYS A 91 12.664 -4.593 2.943 1.00 0.00 C ATOM 1493 CD LYS A 91 13.651 -4.882 4.063 1.00 0.00 C ATOM 1494 CE LYS A 91 14.546 -6.063 3.728 1.00 0.00 C ATOM 1495 NZ LYS A 91 13.771 -7.321 3.570 1.00 0.00 N ATOM 0 H LYS A 91 10.421 -1.542 4.079 1.00 0.00 H new ATOM 0 HA LYS A 91 13.086 -2.334 4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.128 -3.784 4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.997 -3.332 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.098 -5.496 2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.208 -4.320 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.265 -4.000 4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.107 -5.087 4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.091 -5.855 2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.288 -6.191 4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.419 -8.134 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.081 -7.403 4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.269 -7.308 2.659 1.00 0.00 H new ATOM 1509 N TYR A 92 12.313 -1.065 1.488 1.00 0.00 N ATOM 1510 CA TYR A 92 12.849 -0.547 0.240 1.00 0.00 C ATOM 1511 C TYR A 92 13.691 0.706 0.486 1.00 0.00 C ATOM 1512 O TYR A 92 14.863 0.752 0.111 1.00 0.00 O ATOM 1513 CB TYR A 92 11.718 -0.237 -0.745 1.00 0.00 C ATOM 1514 CG TYR A 92 12.180 -0.099 -2.180 1.00 0.00 C ATOM 1515 CD1 TYR A 92 11.980 -1.126 -3.092 1.00 0.00 C ATOM 1516 CD2 TYR A 92 12.821 1.051 -2.620 1.00 0.00 C ATOM 1517 CE1 TYR A 92 12.405 -1.010 -4.400 1.00 0.00 C ATOM 1518 CE2 TYR A 92 13.248 1.177 -3.928 1.00 0.00 C ATOM 1519 CZ TYR A 92 13.038 0.144 -4.813 1.00 0.00 C ATOM 1520 OH TYR A 92 13.468 0.260 -6.117 1.00 0.00 O ATOM 0 H TYR A 92 11.306 -0.942 1.596 1.00 0.00 H new ATOM 0 HA TYR A 92 13.491 -1.314 -0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.971 -1.029 -0.688 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.226 0.687 -0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.484 -2.031 -2.773 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.989 1.862 -1.927 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.243 -1.819 -5.097 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.743 2.080 -4.254 1.00 0.00 H new ATOM 0 HH TYR A 92 13.893 1.134 -6.245 1.00 0.00 H new ATOM 1530 N LYS A 93 13.095 1.719 1.122 1.00 0.00 N ATOM 1531 CA LYS A 93 13.797 2.982 1.341 1.00 0.00 C ATOM 1532 C LYS A 93 14.980 2.793 2.287 1.00 0.00 C ATOM 1533 O LYS A 93 16.057 3.332 2.054 1.00 0.00 O ATOM 1534 CB LYS A 93 12.857 4.072 1.873 1.00 0.00 C ATOM 1535 CG LYS A 93 12.217 3.744 3.207 1.00 0.00 C ATOM 1536 CD LYS A 93 11.329 4.869 3.720 1.00 0.00 C ATOM 1537 CE LYS A 93 12.123 6.116 4.095 1.00 0.00 C ATOM 1538 NZ LYS A 93 12.378 7.010 2.930 1.00 0.00 N ATOM 0 H LYS A 93 12.143 1.689 1.488 1.00 0.00 H new ATOM 0 HA LYS A 93 14.174 3.311 0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.416 5.003 1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.071 4.248 1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.625 2.834 3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.997 3.538 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.595 5.126 2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.773 4.521 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.580 6.670 4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.075 5.817 4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.389 6.982 2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.816 6.688 2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.107 7.984 3.174 1.00 0.00 H new ATOM 1552 N THR A 94 14.788 2.009 3.339 1.00 0.00 N ATOM 1553 CA THR A 94 15.863 1.734 4.272 1.00 0.00 C ATOM 1554 C THR A 94 16.978 0.947 3.580 1.00 0.00 C ATOM 1555 O THR A 94 18.155 1.241 3.780 1.00 0.00 O ATOM 1556 CB THR A 94 15.350 1.006 5.545 1.00 0.00 C ATOM 1557 OG1 THR A 94 14.650 1.934 6.384 1.00 0.00 O ATOM 1558 CG2 THR A 94 16.487 0.365 6.329 1.00 0.00 C ATOM 0 H THR A 94 13.902 1.556 3.564 1.00 0.00 H new ATOM 0 HA THR A 94 16.275 2.687 4.604 1.00 0.00 H new ATOM 0 HB THR A 94 14.677 0.211 5.224 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.326 1.471 7.185 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.085 -0.133 7.211 1.00 0.00 H new ATOM 0 HG22 THR A 94 16.996 -0.365 5.700 1.00 0.00 H new ATOM 0 HG23 THR A 94 17.195 1.134 6.638 1.00 0.00 H new ATOM 1566 N ARG A 95 16.614 -0.016 2.729 1.00 0.00 N ATOM 1567 CA ARG A 95 17.612 -0.754 1.954 1.00 0.00 C ATOM 1568 C ARG A 95 18.381 0.171 1.015 1.00 0.00 C ATOM 1569 O ARG A 95 19.611 0.174 1.019 1.00 0.00 O ATOM 1570 CB ARG A 95 16.967 -1.887 1.150 1.00 0.00 C ATOM 1571 CG ARG A 95 17.894 -2.502 0.113 1.00 0.00 C ATOM 1572 CD ARG A 95 17.252 -3.695 -0.572 1.00 0.00 C ATOM 1573 NE ARG A 95 17.203 -4.866 0.301 1.00 0.00 N ATOM 1574 CZ ARG A 95 16.312 -5.846 0.185 1.00 0.00 C ATOM 1575 NH1 ARG A 95 15.345 -5.766 -0.718 1.00 0.00 N ATOM 1576 NH2 ARG A 95 16.382 -6.905 0.980 1.00 0.00 N ATOM 0 H ARG A 95 15.649 -0.299 2.561 1.00 0.00 H new ATOM 0 HA ARG A 95 18.312 -1.187 2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.636 -2.666 1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.078 -1.505 0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 95 18.156 -1.751 -0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 95 18.822 -2.813 0.592 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.241 -3.433 -0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 95 17.812 -3.939 -1.475 1.00 0.00 H new ATOM 0 HE ARG A 95 17.896 -4.936 1.046 1.00 0.00 H new ATOM 0 HH11 ARG A 95 15.282 -4.950 -1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.664 -6.520 -0.804 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.120 -6.968 1.681 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.698 -7.656 0.890 1.00 0.00 H new ATOM 1590 N ILE A 96 17.665 0.961 0.214 1.00 0.00 N ATOM 1591 CA ILE A 96 18.318 1.827 -0.764 1.00 0.00 C ATOM 1592 C ILE A 96 19.172 2.889 -0.068 1.00 0.00 C ATOM 1593 O ILE A 96 20.239 3.257 -0.558 1.00 0.00 O ATOM 1594 CB ILE A 96 17.303 2.494 -1.733 1.00 0.00 C ATOM 1595 CG1 ILE A 96 18.027 3.220 -2.873 1.00 0.00 C ATOM 1596 CG2 ILE A 96 16.393 3.463 -0.998 1.00 0.00 C ATOM 1597 CD1 ILE A 96 18.821 2.306 -3.780 1.00 0.00 C ATOM 0 H ILE A 96 16.647 1.018 0.223 1.00 0.00 H new ATOM 0 HA ILE A 96 18.968 1.191 -1.365 1.00 0.00 H new ATOM 0 HB ILE A 96 16.690 1.699 -2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 96 17.292 3.759 -3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 96 18.699 3.965 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 96 15.695 3.913 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.837 2.927 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 96 16.994 4.245 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 96 19.303 2.896 -4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 96 19.581 1.786 -3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 96 18.152 1.577 -4.237 1.00 0.00 H new ATOM 1609 N ASN A 97 18.719 3.354 1.092 1.00 0.00 N ATOM 1610 CA ASN A 97 19.479 4.327 1.871 1.00 0.00 C ATOM 1611 C ASN A 97 20.641 3.657 2.592 1.00 0.00 C ATOM 1612 O ASN A 97 21.641 4.301 2.901 1.00 0.00 O ATOM 1613 CB ASN A 97 18.587 5.046 2.890 1.00 0.00 C ATOM 1614 CG ASN A 97 17.602 6.012 2.251 1.00 0.00 C ATOM 1615 OD1 ASN A 97 17.983 6.611 1.134 1.00 0.00 O flip ATOM 1616 ND2 ASN A 97 16.508 6.234 2.772 1.00 0.00 N flip ATOM 0 H ASN A 97 17.833 3.074 1.513 1.00 0.00 H new ATOM 0 HA ASN A 97 19.872 5.065 1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 97 18.035 4.304 3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 97 19.217 5.592 3.592 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.247 5.754 3.633 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.864 6.897 2.342 1.00 0.00 H new ATOM 1623 N ARG A 98 20.500 2.367 2.864 1.00 0.00 N ATOM 1624 CA ARG A 98 21.546 1.601 3.528 1.00 0.00 C ATOM 1625 C ARG A 98 22.661 1.254 2.542 1.00 0.00 C ATOM 1626 O ARG A 98 23.834 1.486 2.823 1.00 0.00 O ATOM 1627 CB ARG A 98 20.940 0.331 4.150 1.00 0.00 C ATOM 1628 CG ARG A 98 21.878 -0.457 5.056 1.00 0.00 C ATOM 1629 CD ARG A 98 22.731 -1.445 4.280 1.00 0.00 C ATOM 1630 NE ARG A 98 21.919 -2.432 3.570 1.00 0.00 N ATOM 1631 CZ ARG A 98 22.310 -3.051 2.457 1.00 0.00 C ATOM 1632 NH1 ARG A 98 23.500 -2.785 1.928 1.00 0.00 N ATOM 1633 NH2 ARG A 98 21.513 -3.937 1.872 1.00 0.00 N ATOM 0 H ARG A 98 19.666 1.826 2.634 1.00 0.00 H new ATOM 0 HA ARG A 98 21.983 2.203 4.325 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.057 0.612 4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 98 20.602 -0.323 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 98 22.526 0.235 5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 98 21.293 -0.993 5.803 1.00 0.00 H new ATOM 0 HD2 ARG A 98 23.352 -0.905 3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 98 23.406 -1.957 4.965 1.00 0.00 H new ATOM 0 HE ARG A 98 21.000 -2.660 3.949 1.00 0.00 H new ATOM 0 HH11 ARG A 98 24.116 -2.106 2.374 1.00 0.00 H new ATOM 0 HH12 ARG A 98 23.797 -3.260 1.076 1.00 0.00 H new ATOM 0 HH21 ARG A 98 20.599 -4.145 2.275 1.00 0.00 H new ATOM 0 HH22 ARG A 98 21.814 -4.410 1.020 1.00 0.00 H new