USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 654 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 7 GLN : amide:sc= 0.654 K(o=1.3,f=-0.94) USER MOD Set 1.2: A 9 GLN :FLIP amide:sc= 0.689 F(o=-0.4,f=1.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -1 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 65:sc= 1.22 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.76 K(o=-0.76,f=-3!) USER MOD Single : A 23 GLN : amide:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0102 K(o=-0.01,f=-1.3) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.821 F(o=-2.3!,f=-0.82) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -15! C(o=-16!,f=-15!) USER MOD Single : A 39 ASN : amide:sc= -0.232 K(o=-0.23,f=-1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 82:sc= 0.333 USER MOD Single : A 49 MET CE :methyl 168:sc= 0 (180deg=-0.23) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -6.95! C(o=-6.9!,f=-6.9!) USER MOD Single : A 60 ASN : amide:sc= -0.0171 K(o=-0.017,f=-1.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= -2.99! (180deg=-3.14!) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.0265 F(o=-1.6,f=-0.026) USER MOD Single : A 80 ASN : amide:sc= 0.797 K(o=0.8,f=-0.21) USER MOD Single : A 82 HIS :FLIP no HD1:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.507 F(o=-1.5,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.187 -14.272 -19.628 1.00 0.00 N ATOM 2 CA GLY A 1 24.342 -14.739 -18.814 1.00 0.00 C ATOM 3 C GLY A 1 24.337 -14.162 -17.412 1.00 0.00 C ATOM 4 O GLY A 1 24.222 -12.949 -17.234 1.00 0.00 O ATOM 0 H1 GLY A 1 23.237 -14.695 -20.577 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.299 -14.559 -19.168 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.216 -13.236 -19.709 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.324 -15.827 -18.755 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.270 -14.462 -19.314 1.00 0.00 H new ATOM 10 N SER A 2 24.459 -15.032 -16.414 1.00 0.00 N ATOM 11 CA SER A 2 24.466 -14.601 -15.020 1.00 0.00 C ATOM 12 C SER A 2 25.838 -14.809 -14.385 1.00 0.00 C ATOM 13 O SER A 2 26.188 -14.141 -13.412 1.00 0.00 O ATOM 14 CB SER A 2 23.401 -15.360 -14.226 1.00 0.00 C ATOM 15 OG SER A 2 23.651 -16.756 -14.242 1.00 0.00 O ATOM 0 H SER A 2 24.554 -16.039 -16.545 1.00 0.00 H new ATOM 0 HA SER A 2 24.238 -13.535 -14.997 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.386 -15.002 -13.197 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.416 -15.159 -14.648 1.00 0.00 H new ATOM 0 HG SER A 2 22.958 -17.218 -13.726 1.00 0.00 H new ATOM 21 N SER A 3 26.612 -15.740 -14.937 1.00 0.00 N ATOM 22 CA SER A 3 27.944 -16.033 -14.418 1.00 0.00 C ATOM 23 C SER A 3 28.993 -15.142 -15.075 1.00 0.00 C ATOM 24 O SER A 3 29.575 -14.269 -14.426 1.00 0.00 O ATOM 25 CB SER A 3 28.291 -17.505 -14.644 1.00 0.00 C ATOM 26 OG SER A 3 27.837 -17.947 -15.912 1.00 0.00 O ATOM 0 H SER A 3 26.340 -16.303 -15.742 1.00 0.00 H new ATOM 0 HA SER A 3 27.942 -15.829 -13.347 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.370 -17.643 -14.572 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.839 -18.113 -13.860 1.00 0.00 H new ATOM 0 HG SER A 3 28.072 -18.891 -16.033 1.00 0.00 H new ATOM 32 N LEU A 4 29.231 -15.362 -16.364 1.00 0.00 N ATOM 33 CA LEU A 4 30.211 -14.574 -17.105 1.00 0.00 C ATOM 34 C LEU A 4 29.590 -13.277 -17.616 1.00 0.00 C ATOM 35 O LEU A 4 29.580 -13.009 -18.817 1.00 0.00 O ATOM 36 CB LEU A 4 30.776 -15.381 -18.278 1.00 0.00 C ATOM 37 CG LEU A 4 29.744 -16.181 -19.077 1.00 0.00 C ATOM 38 CD1 LEU A 4 30.099 -16.185 -20.556 1.00 0.00 C ATOM 39 CD2 LEU A 4 29.651 -17.604 -18.546 1.00 0.00 C ATOM 0 H LEU A 4 28.760 -16.078 -16.917 1.00 0.00 H new ATOM 0 HA LEU A 4 31.025 -14.325 -16.424 1.00 0.00 H new ATOM 0 HB2 LEU A 4 31.286 -14.697 -18.956 1.00 0.00 H new ATOM 0 HB3 LEU A 4 31.529 -16.070 -17.895 1.00 0.00 H new ATOM 0 HG LEU A 4 28.771 -15.704 -18.960 1.00 0.00 H new ATOM 0 HD11 LEU A 4 29.354 -16.759 -21.107 1.00 0.00 H new ATOM 0 HD12 LEU A 4 30.117 -15.161 -20.929 1.00 0.00 H new ATOM 0 HD13 LEU A 4 31.081 -16.639 -20.693 1.00 0.00 H new ATOM 0 HD21 LEU A 4 28.913 -18.161 -19.124 1.00 0.00 H new ATOM 0 HD22 LEU A 4 30.623 -18.090 -18.635 1.00 0.00 H new ATOM 0 HD23 LEU A 4 29.350 -17.583 -17.499 1.00 0.00 H new ATOM 51 N ALA A 5 29.070 -12.474 -16.693 1.00 0.00 N ATOM 52 CA ALA A 5 28.446 -11.205 -17.046 1.00 0.00 C ATOM 53 C ALA A 5 29.498 -10.140 -17.342 1.00 0.00 C ATOM 54 O ALA A 5 30.507 -10.038 -16.644 1.00 0.00 O ATOM 55 CB ALA A 5 27.521 -10.745 -15.929 1.00 0.00 C ATOM 0 H ALA A 5 29.069 -12.681 -15.694 1.00 0.00 H new ATOM 0 HA ALA A 5 27.857 -11.355 -17.951 1.00 0.00 H new ATOM 0 HB1 ALA A 5 27.061 -9.796 -16.205 1.00 0.00 H new ATOM 0 HB2 ALA A 5 26.744 -11.492 -15.770 1.00 0.00 H new ATOM 0 HB3 ALA A 5 28.095 -10.617 -15.011 1.00 0.00 H new ATOM 61 N SER A 6 29.256 -9.348 -18.382 1.00 0.00 N ATOM 62 CA SER A 6 30.181 -8.290 -18.769 1.00 0.00 C ATOM 63 C SER A 6 29.753 -6.949 -18.179 1.00 0.00 C ATOM 64 O SER A 6 30.591 -6.144 -17.769 1.00 0.00 O ATOM 65 CB SER A 6 30.263 -8.186 -20.293 1.00 0.00 C ATOM 66 OG SER A 6 31.599 -7.977 -20.719 1.00 0.00 O ATOM 0 H SER A 6 28.427 -9.419 -18.972 1.00 0.00 H new ATOM 0 HA SER A 6 31.166 -8.542 -18.376 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.873 -9.098 -20.744 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.635 -7.365 -20.639 1.00 0.00 H new ATOM 0 HG SER A 6 31.625 -7.916 -21.697 1.00 0.00 H new ATOM 72 N GLN A 7 28.446 -6.717 -18.138 1.00 0.00 N ATOM 73 CA GLN A 7 27.906 -5.475 -17.599 1.00 0.00 C ATOM 74 C GLN A 7 28.074 -5.420 -16.084 1.00 0.00 C ATOM 75 O GLN A 7 27.875 -6.417 -15.390 1.00 0.00 O ATOM 76 CB GLN A 7 26.427 -5.336 -17.964 1.00 0.00 C ATOM 77 CG GLN A 7 26.144 -5.534 -19.445 1.00 0.00 C ATOM 78 CD GLN A 7 24.897 -4.804 -19.901 1.00 0.00 C ATOM 79 OE1 GLN A 7 24.019 -4.487 -19.099 1.00 0.00 O ATOM 80 NE2 GLN A 7 24.813 -4.531 -21.199 1.00 0.00 N ATOM 0 H GLN A 7 27.740 -7.373 -18.472 1.00 0.00 H new ATOM 0 HA GLN A 7 28.461 -4.647 -18.039 1.00 0.00 H new ATOM 0 HB2 GLN A 7 25.850 -6.063 -17.392 1.00 0.00 H new ATOM 0 HB3 GLN A 7 26.079 -4.347 -17.665 1.00 0.00 H new ATOM 0 HG2 GLN A 7 26.998 -5.184 -20.025 1.00 0.00 H new ATOM 0 HG3 GLN A 7 26.034 -6.599 -19.651 1.00 0.00 H new ATOM 0 HE21 GLN A 7 25.564 -4.812 -21.829 1.00 0.00 H new ATOM 0 HE22 GLN A 7 23.997 -4.040 -21.565 1.00 0.00 H new ATOM 89 N GLY A 8 28.442 -4.247 -15.578 1.00 0.00 N ATOM 90 CA GLY A 8 28.628 -4.081 -14.147 1.00 0.00 C ATOM 91 C GLY A 8 27.385 -3.557 -13.450 1.00 0.00 C ATOM 92 O GLY A 8 27.361 -3.429 -12.226 1.00 0.00 O ATOM 0 H GLY A 8 28.615 -3.409 -16.133 1.00 0.00 H new ATOM 0 HA2 GLY A 8 28.909 -5.038 -13.708 1.00 0.00 H new ATOM 0 HA3 GLY A 8 29.455 -3.394 -13.970 1.00 0.00 H new ATOM 96 N GLN A 9 26.350 -3.250 -14.228 1.00 0.00 N ATOM 97 CA GLN A 9 25.102 -2.735 -13.673 1.00 0.00 C ATOM 98 C GLN A 9 24.054 -3.841 -13.568 1.00 0.00 C ATOM 99 O GLN A 9 22.906 -3.660 -13.974 1.00 0.00 O ATOM 100 CB GLN A 9 24.567 -1.589 -14.537 1.00 0.00 C ATOM 101 CG GLN A 9 24.635 -1.864 -16.030 1.00 0.00 C ATOM 102 CD GLN A 9 23.353 -1.503 -16.758 1.00 0.00 C ATOM 103 OE1 GLN A 9 22.714 -0.418 -16.337 1.00 0.00 O flip ATOM 104 NE2 GLN A 9 22.943 -2.193 -17.692 1.00 0.00 N flip ATOM 0 H GLN A 9 26.351 -3.349 -15.243 1.00 0.00 H new ATOM 0 HA GLN A 9 25.309 -2.359 -12.671 1.00 0.00 H new ATOM 0 HB2 GLN A 9 23.532 -1.390 -14.260 1.00 0.00 H new ATOM 0 HB3 GLN A 9 25.135 -0.685 -14.317 1.00 0.00 H new ATOM 0 HG2 GLN A 9 25.462 -1.300 -16.461 1.00 0.00 H new ATOM 0 HG3 GLN A 9 24.852 -2.920 -16.190 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.465 -3.019 -17.983 1.00 0.00 H new ATOM 0 HE22 GLN A 9 22.081 -1.938 -18.174 1.00 0.00 H new ATOM 113 N ASN A 10 24.457 -4.984 -13.023 1.00 0.00 N ATOM 114 CA ASN A 10 23.549 -6.110 -12.871 1.00 0.00 C ATOM 115 C ASN A 10 22.415 -5.774 -11.904 1.00 0.00 C ATOM 116 O ASN A 10 21.326 -5.388 -12.329 1.00 0.00 O ATOM 117 CB ASN A 10 24.313 -7.354 -12.399 1.00 0.00 C ATOM 118 CG ASN A 10 23.500 -8.624 -12.553 1.00 0.00 C ATOM 119 OD1 ASN A 10 23.171 -9.288 -11.572 1.00 0.00 O ATOM 120 ND2 ASN A 10 23.171 -8.968 -13.795 1.00 0.00 N ATOM 0 H ASN A 10 25.403 -5.153 -12.681 1.00 0.00 H new ATOM 0 HA ASN A 10 23.107 -6.323 -13.844 1.00 0.00 H new ATOM 0 HB2 ASN A 10 25.238 -7.447 -12.968 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.593 -7.230 -11.353 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.624 -9.813 -13.962 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.465 -8.387 -14.580 1.00 0.00 H new ATOM 127 N LEU A 11 22.677 -5.916 -10.607 1.00 0.00 N ATOM 128 CA LEU A 11 21.680 -5.629 -9.576 1.00 0.00 C ATOM 129 C LEU A 11 21.010 -4.276 -9.807 1.00 0.00 C ATOM 130 O LEU A 11 19.797 -4.137 -9.645 1.00 0.00 O ATOM 131 CB LEU A 11 22.335 -5.652 -8.192 1.00 0.00 C ATOM 132 CG LEU A 11 23.676 -4.915 -8.101 1.00 0.00 C ATOM 133 CD1 LEU A 11 23.493 -3.546 -7.461 1.00 0.00 C ATOM 134 CD2 LEU A 11 24.689 -5.737 -7.315 1.00 0.00 C ATOM 0 H LEU A 11 23.576 -6.230 -10.242 1.00 0.00 H new ATOM 0 HA LEU A 11 20.912 -6.401 -9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.645 -5.211 -7.472 1.00 0.00 H new ATOM 0 HB3 LEU A 11 22.486 -6.690 -7.895 1.00 0.00 H new ATOM 0 HG LEU A 11 24.057 -4.775 -9.113 1.00 0.00 H new ATOM 0 HD11 LEU A 11 24.456 -3.039 -7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 11 22.804 -2.952 -8.062 1.00 0.00 H new ATOM 0 HD13 LEU A 11 23.087 -3.665 -6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.634 -5.196 -7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 11 24.313 -5.910 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 11 24.846 -6.694 -7.813 1.00 0.00 H new ATOM 146 N SER A 12 21.805 -3.280 -10.188 1.00 0.00 N ATOM 147 CA SER A 12 21.284 -1.940 -10.441 1.00 0.00 C ATOM 148 C SER A 12 20.158 -1.978 -11.470 1.00 0.00 C ATOM 149 O SER A 12 19.221 -1.181 -11.410 1.00 0.00 O ATOM 150 CB SER A 12 22.404 -1.017 -10.928 1.00 0.00 C ATOM 151 OG SER A 12 21.928 0.302 -11.134 1.00 0.00 O ATOM 0 H SER A 12 22.811 -3.375 -10.328 1.00 0.00 H new ATOM 0 HA SER A 12 20.883 -1.552 -9.505 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.212 -1.005 -10.197 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.821 -1.405 -11.857 1.00 0.00 H new ATOM 0 HG SER A 12 22.664 0.871 -11.443 1.00 0.00 H new ATOM 157 N THR A 13 20.256 -2.913 -12.411 1.00 0.00 N ATOM 158 CA THR A 13 19.246 -3.059 -13.452 1.00 0.00 C ATOM 159 C THR A 13 18.152 -4.040 -13.032 1.00 0.00 C ATOM 160 O THR A 13 17.063 -4.051 -13.610 1.00 0.00 O ATOM 161 CB THR A 13 19.897 -3.531 -14.755 1.00 0.00 C ATOM 162 OG1 THR A 13 20.943 -2.657 -15.138 1.00 0.00 O ATOM 163 CG2 THR A 13 18.927 -3.622 -15.912 1.00 0.00 C ATOM 0 H THR A 13 21.025 -3.580 -12.473 1.00 0.00 H new ATOM 0 HA THR A 13 18.785 -2.084 -13.610 1.00 0.00 H new ATOM 0 HB THR A 13 20.276 -4.531 -14.542 1.00 0.00 H new ATOM 0 HG1 THR A 13 21.662 -2.697 -14.474 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.454 -3.962 -16.803 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.134 -4.329 -15.667 1.00 0.00 H new ATOM 0 HG23 THR A 13 18.492 -2.640 -16.100 1.00 0.00 H new ATOM 171 N VAL A 14 18.444 -4.866 -12.029 1.00 0.00 N ATOM 172 CA VAL A 14 17.480 -5.850 -11.543 1.00 0.00 C ATOM 173 C VAL A 14 16.299 -5.177 -10.847 1.00 0.00 C ATOM 174 O VAL A 14 15.143 -5.525 -11.094 1.00 0.00 O ATOM 175 CB VAL A 14 18.141 -6.847 -10.571 1.00 0.00 C ATOM 176 CG1 VAL A 14 17.151 -7.916 -10.138 1.00 0.00 C ATOM 177 CG2 VAL A 14 19.363 -7.486 -11.210 1.00 0.00 C ATOM 0 H VAL A 14 19.338 -4.873 -11.538 1.00 0.00 H new ATOM 0 HA VAL A 14 17.115 -6.391 -12.416 1.00 0.00 H new ATOM 0 HB VAL A 14 18.460 -6.296 -9.686 1.00 0.00 H new ATOM 0 HG11 VAL A 14 17.640 -8.608 -9.452 1.00 0.00 H new ATOM 0 HG12 VAL A 14 16.304 -7.446 -9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 14 16.798 -8.461 -11.013 1.00 0.00 H new ATOM 0 HG21 VAL A 14 19.816 -8.187 -10.509 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.065 -8.018 -12.113 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.086 -6.712 -11.467 1.00 0.00 H new ATOM 187 N LEU A 15 16.589 -4.212 -9.979 1.00 0.00 N ATOM 188 CA LEU A 15 15.542 -3.498 -9.255 1.00 0.00 C ATOM 189 C LEU A 15 14.654 -2.701 -10.213 1.00 0.00 C ATOM 190 O LEU A 15 13.564 -2.262 -9.842 1.00 0.00 O ATOM 191 CB LEU A 15 16.156 -2.567 -8.206 1.00 0.00 C ATOM 192 CG LEU A 15 15.616 -2.751 -6.782 1.00 0.00 C ATOM 193 CD1 LEU A 15 16.678 -3.361 -5.879 1.00 0.00 C ATOM 194 CD2 LEU A 15 15.132 -1.424 -6.216 1.00 0.00 C ATOM 0 H LEU A 15 17.537 -3.907 -9.760 1.00 0.00 H new ATOM 0 HA LEU A 15 14.920 -4.237 -8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.235 -2.721 -8.192 1.00 0.00 H new ATOM 0 HB3 LEU A 15 15.985 -1.535 -8.513 1.00 0.00 H new ATOM 0 HG LEU A 15 14.769 -3.435 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.275 -3.483 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.974 -4.334 -6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.547 -2.704 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.753 -1.576 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.960 -0.716 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.336 -1.028 -6.846 1.00 0.00 H new ATOM 206 N ALA A 16 15.127 -2.515 -11.443 1.00 0.00 N ATOM 207 CA ALA A 16 14.379 -1.771 -12.450 1.00 0.00 C ATOM 208 C ALA A 16 13.062 -2.461 -12.794 1.00 0.00 C ATOM 209 O ALA A 16 12.071 -1.803 -13.110 1.00 0.00 O ATOM 210 CB ALA A 16 15.221 -1.597 -13.705 1.00 0.00 C ATOM 0 H ALA A 16 16.027 -2.871 -11.766 1.00 0.00 H new ATOM 0 HA ALA A 16 14.144 -0.791 -12.034 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.653 -1.040 -14.450 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.131 -1.050 -13.460 1.00 0.00 H new ATOM 0 HB3 ALA A 16 15.483 -2.576 -14.106 1.00 0.00 H new ATOM 216 N ASN A 17 13.058 -3.789 -12.734 1.00 0.00 N ATOM 217 CA ASN A 17 11.860 -4.565 -13.045 1.00 0.00 C ATOM 218 C ASN A 17 10.948 -4.692 -11.824 1.00 0.00 C ATOM 219 O ASN A 17 9.880 -5.297 -11.900 1.00 0.00 O ATOM 220 CB ASN A 17 12.253 -5.957 -13.548 1.00 0.00 C ATOM 221 CG ASN A 17 11.902 -6.164 -15.008 1.00 0.00 C ATOM 222 OD1 ASN A 17 11.144 -7.069 -15.353 1.00 0.00 O ATOM 223 ND2 ASN A 17 12.457 -5.326 -15.875 1.00 0.00 N ATOM 0 H ASN A 17 13.869 -4.350 -12.473 1.00 0.00 H new ATOM 0 HA ASN A 17 11.311 -4.038 -13.826 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.325 -6.101 -13.411 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.750 -6.713 -12.945 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.260 -5.419 -16.872 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.080 -4.589 -15.545 1.00 0.00 H new ATOM 230 N LEU A 18 11.377 -4.122 -10.701 1.00 0.00 N ATOM 231 CA LEU A 18 10.597 -4.178 -9.473 1.00 0.00 C ATOM 232 C LEU A 18 9.879 -2.856 -9.220 1.00 0.00 C ATOM 233 O LEU A 18 10.155 -2.165 -8.239 1.00 0.00 O ATOM 234 CB LEU A 18 11.503 -4.519 -8.288 1.00 0.00 C ATOM 235 CG LEU A 18 11.912 -5.988 -8.180 1.00 0.00 C ATOM 236 CD1 LEU A 18 12.886 -6.359 -9.287 1.00 0.00 C ATOM 237 CD2 LEU A 18 12.523 -6.267 -6.815 1.00 0.00 C ATOM 0 H LEU A 18 12.260 -3.617 -10.618 1.00 0.00 H new ATOM 0 HA LEU A 18 9.845 -4.959 -9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.406 -3.912 -8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.994 -4.232 -7.368 1.00 0.00 H new ATOM 0 HG LEU A 18 11.019 -6.603 -8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.164 -7.409 -9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.415 -6.196 -10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.779 -5.739 -9.209 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.810 -7.317 -6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.405 -5.641 -6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.793 -6.043 -6.037 1.00 0.00 H new ATOM 249 N THR A 19 8.953 -2.504 -10.111 1.00 0.00 N ATOM 250 CA THR A 19 8.200 -1.264 -9.977 1.00 0.00 C ATOM 251 C THR A 19 6.996 -1.439 -9.049 1.00 0.00 C ATOM 252 O THR A 19 6.859 -0.708 -8.069 1.00 0.00 O ATOM 253 CB THR A 19 7.741 -0.761 -11.348 1.00 0.00 C ATOM 254 OG1 THR A 19 8.855 -0.510 -12.188 1.00 0.00 O ATOM 255 CG2 THR A 19 6.927 0.514 -11.280 1.00 0.00 C ATOM 0 H THR A 19 8.709 -3.060 -10.930 1.00 0.00 H new ATOM 0 HA THR A 19 8.864 -0.522 -9.533 1.00 0.00 H new ATOM 0 HB THR A 19 7.111 -1.555 -11.748 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.542 -0.191 -13.060 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.635 0.813 -12.287 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.034 0.344 -10.679 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.525 1.304 -10.826 1.00 0.00 H new ATOM 263 N PRO A 20 6.102 -2.406 -9.333 1.00 0.00 N ATOM 264 CA PRO A 20 4.921 -2.639 -8.499 1.00 0.00 C ATOM 265 C PRO A 20 5.288 -3.172 -7.119 1.00 0.00 C ATOM 266 O PRO A 20 4.621 -2.868 -6.132 1.00 0.00 O ATOM 267 CB PRO A 20 4.119 -3.683 -9.282 1.00 0.00 C ATOM 268 CG PRO A 20 5.123 -4.374 -10.134 1.00 0.00 C ATOM 269 CD PRO A 20 6.161 -3.341 -10.474 1.00 0.00 C ATOM 0 HA PRO A 20 4.368 -1.718 -8.314 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.621 -4.383 -8.612 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.343 -3.214 -9.887 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.570 -5.216 -9.605 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.660 -4.773 -11.036 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.151 -3.785 -10.578 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.936 -2.840 -11.416 1.00 0.00 H new ATOM 277 N GLU A 21 6.350 -3.965 -7.054 1.00 0.00 N ATOM 278 CA GLU A 21 6.797 -4.538 -5.789 1.00 0.00 C ATOM 279 C GLU A 21 7.398 -3.467 -4.878 1.00 0.00 C ATOM 280 O GLU A 21 7.032 -3.361 -3.707 1.00 0.00 O ATOM 281 CB GLU A 21 7.822 -5.645 -6.037 1.00 0.00 C ATOM 282 CG GLU A 21 8.372 -6.264 -4.762 1.00 0.00 C ATOM 283 CD GLU A 21 8.757 -7.718 -4.938 1.00 0.00 C ATOM 284 OE1 GLU A 21 9.020 -8.129 -6.089 1.00 0.00 O ATOM 285 OE2 GLU A 21 8.799 -8.448 -3.924 1.00 0.00 O ATOM 0 H GLU A 21 6.917 -4.226 -7.860 1.00 0.00 H new ATOM 0 HA GLU A 21 5.926 -4.963 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.361 -6.427 -6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.649 -5.239 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.244 -5.698 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.625 -6.183 -3.972 1.00 0.00 H new ATOM 292 N GLN A 22 8.320 -2.678 -5.420 1.00 0.00 N ATOM 293 CA GLN A 22 8.966 -1.622 -4.648 1.00 0.00 C ATOM 294 C GLN A 22 7.979 -0.511 -4.314 1.00 0.00 C ATOM 295 O GLN A 22 7.797 -0.159 -3.150 1.00 0.00 O ATOM 296 CB GLN A 22 10.153 -1.046 -5.420 1.00 0.00 C ATOM 297 CG GLN A 22 11.295 -2.030 -5.598 1.00 0.00 C ATOM 298 CD GLN A 22 11.924 -2.445 -4.283 1.00 0.00 C ATOM 299 OE1 GLN A 22 11.544 -1.953 -3.219 1.00 0.00 O ATOM 300 NE2 GLN A 22 12.890 -3.353 -4.348 1.00 0.00 N ATOM 0 H GLN A 22 8.636 -2.749 -6.387 1.00 0.00 H new ATOM 0 HA GLN A 22 9.325 -2.059 -3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.812 -0.716 -6.401 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.522 -0.164 -4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.927 -2.916 -6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.058 -1.583 -6.235 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.172 -3.733 -5.251 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.350 -3.670 -3.495 1.00 0.00 H new ATOM 309 N GLN A 23 7.348 0.041 -5.348 1.00 0.00 N ATOM 310 CA GLN A 23 6.378 1.119 -5.170 1.00 0.00 C ATOM 311 C GLN A 23 5.454 0.837 -3.988 1.00 0.00 C ATOM 312 O GLN A 23 5.218 1.704 -3.150 1.00 0.00 O ATOM 313 CB GLN A 23 5.552 1.311 -6.444 1.00 0.00 C ATOM 314 CG GLN A 23 4.797 2.631 -6.485 1.00 0.00 C ATOM 315 CD GLN A 23 5.304 3.561 -7.571 1.00 0.00 C ATOM 316 OE1 GLN A 23 5.797 4.654 -7.291 1.00 0.00 O ATOM 317 NE2 GLN A 23 5.185 3.131 -8.822 1.00 0.00 N ATOM 0 H GLN A 23 7.491 -0.240 -6.318 1.00 0.00 H new ATOM 0 HA GLN A 23 6.931 2.035 -4.963 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.213 1.253 -7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.839 0.491 -6.532 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.737 2.434 -6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.885 3.126 -5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.770 2.218 -9.010 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.508 3.713 -9.594 1.00 0.00 H new ATOM 326 N LYS A 24 4.940 -0.388 -3.922 1.00 0.00 N ATOM 327 CA LYS A 24 4.045 -0.783 -2.839 1.00 0.00 C ATOM 328 C LYS A 24 4.690 -0.556 -1.474 1.00 0.00 C ATOM 329 O LYS A 24 4.037 -0.090 -0.540 1.00 0.00 O ATOM 330 CB LYS A 24 3.646 -2.252 -2.988 1.00 0.00 C ATOM 331 CG LYS A 24 2.574 -2.486 -4.042 1.00 0.00 C ATOM 332 CD LYS A 24 1.441 -3.346 -3.509 1.00 0.00 C ATOM 333 CE LYS A 24 1.683 -4.818 -3.798 1.00 0.00 C ATOM 334 NZ LYS A 24 0.859 -5.699 -2.926 1.00 0.00 N ATOM 0 H LYS A 24 5.127 -1.123 -4.604 1.00 0.00 H new ATOM 0 HA LYS A 24 3.153 -0.160 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.530 -2.836 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.287 -2.622 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.177 -1.528 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.019 -2.968 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.342 -3.196 -2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.500 -3.034 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.453 -5.025 -4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.738 -5.048 -3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.054 -6.695 -3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.096 -5.520 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.149 -5.498 -3.084 1.00 0.00 H new ATOM 348 N ASN A 25 5.972 -0.886 -1.362 1.00 0.00 N ATOM 349 CA ASN A 25 6.694 -0.717 -0.106 1.00 0.00 C ATOM 350 C ASN A 25 6.660 0.741 0.350 1.00 0.00 C ATOM 351 O ASN A 25 6.239 1.043 1.467 1.00 0.00 O ATOM 352 CB ASN A 25 8.144 -1.181 -0.260 1.00 0.00 C ATOM 353 CG ASN A 25 8.264 -2.689 -0.371 1.00 0.00 C ATOM 354 OD1 ASN A 25 7.283 -3.415 -0.206 1.00 0.00 O ATOM 355 ND2 ASN A 25 9.470 -3.167 -0.650 1.00 0.00 N ATOM 0 H ASN A 25 6.531 -1.271 -2.123 1.00 0.00 H new ATOM 0 HA ASN A 25 6.203 -1.328 0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.577 -0.719 -1.147 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.725 -0.836 0.595 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.612 -4.173 -0.736 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.255 -2.528 -0.779 1.00 0.00 H new ATOM 362 N VAL A 26 7.115 1.640 -0.520 1.00 0.00 N ATOM 363 CA VAL A 26 7.143 3.064 -0.203 1.00 0.00 C ATOM 364 C VAL A 26 5.756 3.577 0.160 1.00 0.00 C ATOM 365 O VAL A 26 5.599 4.382 1.079 1.00 0.00 O ATOM 366 CB VAL A 26 7.724 3.891 -1.375 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.692 4.161 -2.465 1.00 0.00 C ATOM 368 CG2 VAL A 26 8.317 5.195 -0.861 1.00 0.00 C ATOM 0 H VAL A 26 7.468 1.407 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 26 7.795 3.187 0.662 1.00 0.00 H new ATOM 0 HB VAL A 26 8.515 3.294 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.150 4.744 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.332 3.214 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.855 4.718 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.722 5.765 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.540 5.778 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.115 4.977 -0.151 1.00 0.00 H new ATOM 378 N LEU A 27 4.752 3.102 -0.569 1.00 0.00 N ATOM 379 CA LEU A 27 3.372 3.512 -0.332 1.00 0.00 C ATOM 380 C LEU A 27 3.037 3.472 1.157 1.00 0.00 C ATOM 381 O LEU A 27 2.516 4.439 1.707 1.00 0.00 O ATOM 382 CB LEU A 27 2.402 2.606 -1.097 1.00 0.00 C ATOM 383 CG LEU A 27 2.403 2.775 -2.619 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.279 1.965 -3.244 1.00 0.00 C ATOM 385 CD2 LEU A 27 2.283 4.243 -2.997 1.00 0.00 C ATOM 0 H LEU A 27 4.868 2.432 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 27 3.266 4.536 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.641 1.568 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.393 2.791 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 27 3.351 2.402 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.294 2.096 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.414 0.910 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.322 2.307 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.286 4.341 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.352 4.646 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.125 4.796 -2.581 1.00 0.00 H new ATOM 397 N GLY A 28 3.339 2.344 1.798 1.00 0.00 N ATOM 398 CA GLY A 28 3.061 2.191 3.215 1.00 0.00 C ATOM 399 C GLY A 28 3.799 3.201 4.075 1.00 0.00 C ATOM 400 O GLY A 28 3.194 3.873 4.909 1.00 0.00 O ATOM 0 H GLY A 28 3.772 1.532 1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.989 2.293 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.338 1.184 3.528 1.00 0.00 H new ATOM 404 N GLU A 29 5.109 3.317 3.872 1.00 0.00 N ATOM 405 CA GLU A 29 5.913 4.261 4.642 1.00 0.00 C ATOM 406 C GLU A 29 5.351 5.671 4.502 1.00 0.00 C ATOM 407 O GLU A 29 5.049 6.332 5.496 1.00 0.00 O ATOM 408 CB GLU A 29 7.368 4.225 4.169 1.00 0.00 C ATOM 409 CG GLU A 29 8.072 2.910 4.462 1.00 0.00 C ATOM 410 CD GLU A 29 8.754 2.902 5.816 1.00 0.00 C ATOM 411 OE1 GLU A 29 9.134 3.993 6.295 1.00 0.00 O ATOM 412 OE2 GLU A 29 8.909 1.810 6.397 1.00 0.00 O ATOM 0 H GLU A 29 5.633 2.773 3.186 1.00 0.00 H new ATOM 0 HA GLU A 29 5.878 3.973 5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.397 4.411 3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.917 5.036 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.347 2.097 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.812 2.718 3.685 1.00 0.00 H new ATOM 419 N ARG A 30 5.206 6.122 3.262 1.00 0.00 N ATOM 420 CA ARG A 30 4.664 7.446 2.988 1.00 0.00 C ATOM 421 C ARG A 30 3.208 7.539 3.443 1.00 0.00 C ATOM 422 O ARG A 30 2.679 8.631 3.643 1.00 0.00 O ATOM 423 CB ARG A 30 4.762 7.766 1.492 1.00 0.00 C ATOM 424 CG ARG A 30 6.140 7.509 0.903 1.00 0.00 C ATOM 425 CD ARG A 30 7.157 8.525 1.400 1.00 0.00 C ATOM 426 NE ARG A 30 8.347 8.562 0.554 1.00 0.00 N ATOM 427 CZ ARG A 30 8.346 8.979 -0.709 1.00 0.00 C ATOM 428 NH1 ARG A 30 7.228 9.421 -1.271 1.00 0.00 N ATOM 429 NH2 ARG A 30 9.470 8.961 -1.414 1.00 0.00 N ATOM 0 H ARG A 30 5.457 5.589 2.429 1.00 0.00 H new ATOM 0 HA ARG A 30 5.252 8.174 3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.028 7.168 0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.498 8.812 1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.469 6.504 1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.085 7.550 -0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.699 9.514 1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.446 8.280 2.422 1.00 0.00 H new ATOM 0 HE ARG A 30 9.231 8.250 0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.361 9.443 -0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.236 9.739 -2.240 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.334 8.627 -0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.470 9.281 -2.383 1.00 0.00 H new ATOM 443 N LEU A 31 2.570 6.382 3.600 1.00 0.00 N ATOM 444 CA LEU A 31 1.179 6.320 4.021 1.00 0.00 C ATOM 445 C LEU A 31 1.015 6.771 5.466 1.00 0.00 C ATOM 446 O LEU A 31 0.311 7.736 5.764 1.00 0.00 O ATOM 447 CB LEU A 31 0.676 4.887 3.883 1.00 0.00 C ATOM 448 CG LEU A 31 -0.595 4.726 3.068 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.288 4.101 1.716 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.609 3.895 3.839 1.00 0.00 C ATOM 0 H LEU A 31 3.000 5.471 3.440 1.00 0.00 H new ATOM 0 HA LEU A 31 0.600 6.991 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.461 4.285 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.504 4.481 4.880 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.026 5.711 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.211 3.994 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.404 4.741 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.164 3.120 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.517 3.786 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.190 2.910 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.848 4.393 4.779 1.00 0.00 H new ATOM 462 N TYR A 32 1.670 6.048 6.361 1.00 0.00 N ATOM 463 CA TYR A 32 1.614 6.326 7.790 1.00 0.00 C ATOM 464 C TYR A 32 1.854 7.805 8.083 1.00 0.00 C ATOM 465 O TYR A 32 1.307 8.352 9.034 1.00 0.00 O ATOM 466 CB TYR A 32 2.660 5.454 8.498 1.00 0.00 C ATOM 467 CG TYR A 32 2.419 5.226 9.974 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.740 6.200 10.910 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.889 4.026 10.436 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.540 5.988 12.261 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.683 3.807 11.785 1.00 0.00 C ATOM 472 CZ TYR A 32 2.009 4.790 12.692 1.00 0.00 C ATOM 473 OH TYR A 32 1.810 4.574 14.036 1.00 0.00 O ATOM 0 H TYR A 32 2.257 5.250 6.118 1.00 0.00 H new ATOM 0 HA TYR A 32 0.618 6.088 8.162 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.699 4.486 7.999 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.639 5.917 8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.153 7.140 10.576 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.634 3.251 9.728 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.798 6.756 12.975 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.269 2.870 12.126 1.00 0.00 H new ATOM 0 HH TYR A 32 1.428 3.681 14.171 1.00 0.00 H new ATOM 483 N ASN A 33 2.681 8.444 7.264 1.00 0.00 N ATOM 484 CA ASN A 33 3.004 9.860 7.438 1.00 0.00 C ATOM 485 C ASN A 33 1.801 10.747 7.156 1.00 0.00 C ATOM 486 O ASN A 33 1.585 11.752 7.835 1.00 0.00 O ATOM 487 CB ASN A 33 4.162 10.236 6.505 1.00 0.00 C ATOM 488 CG ASN A 33 4.332 11.738 6.329 1.00 0.00 C ATOM 489 OD1 ASN A 33 3.404 12.363 5.602 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 5.286 12.326 6.834 1.00 0.00 N flip ATOM 0 H ASN A 33 3.143 8.004 6.468 1.00 0.00 H new ATOM 0 HA ASN A 33 3.296 10.019 8.476 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.088 9.817 6.899 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.996 9.780 5.529 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.972 11.808 7.383 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.391 13.332 6.704 1.00 0.00 H new ATOM 497 N HIS A 34 1.036 10.390 6.141 1.00 0.00 N ATOM 498 CA HIS A 34 -0.126 11.175 5.772 1.00 0.00 C ATOM 499 C HIS A 34 -1.146 11.184 6.898 1.00 0.00 C ATOM 500 O HIS A 34 -1.796 12.192 7.163 1.00 0.00 O ATOM 501 CB HIS A 34 -0.755 10.622 4.486 1.00 0.00 C ATOM 502 CG HIS A 34 -1.569 9.372 4.664 1.00 0.00 C ATOM 503 ND1 HIS A 34 -2.588 9.112 5.502 1.00 0.00 N flip ATOM 504 CD2 HIS A 34 -1.378 8.219 3.933 1.00 0.00 C flip ATOM 505 CE1 HIS A 34 -2.998 7.828 5.276 1.00 0.00 C flip ATOM 506 NE2 HIS A 34 -2.253 7.304 4.326 1.00 0.00 N flip ATOM 0 H HIS A 34 1.197 9.567 5.561 1.00 0.00 H new ATOM 0 HA HIS A 34 0.195 12.201 5.591 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.391 11.393 4.050 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.040 10.421 3.768 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.634 8.083 3.162 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.802 7.325 5.793 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.335 6.357 3.956 1.00 0.00 H new ATOM 515 N ILE A 35 -1.309 10.025 7.512 1.00 0.00 N ATOM 516 CA ILE A 35 -2.288 9.838 8.581 1.00 0.00 C ATOM 517 C ILE A 35 -1.701 9.974 9.990 1.00 0.00 C ATOM 518 O ILE A 35 -2.418 10.337 10.917 1.00 0.00 O ATOM 519 CB ILE A 35 -2.987 8.466 8.456 1.00 0.00 C ATOM 520 CG1 ILE A 35 -3.884 8.202 9.667 1.00 0.00 C ATOM 521 CG2 ILE A 35 -1.966 7.353 8.288 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.143 7.439 9.327 1.00 0.00 C ATOM 0 H ILE A 35 -0.771 9.187 7.289 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.010 10.645 8.452 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.616 8.486 7.566 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.319 7.643 10.413 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.157 9.154 10.122 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.481 6.396 8.202 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.379 7.531 7.387 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.305 7.332 9.154 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.732 7.287 10.232 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.729 8.007 8.604 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.878 6.472 8.900 1.00 0.00 H new ATOM 534 N VAL A 36 -0.419 9.663 10.175 1.00 0.00 N ATOM 535 CA VAL A 36 0.174 9.757 11.511 1.00 0.00 C ATOM 536 C VAL A 36 -0.126 11.117 12.140 1.00 0.00 C ATOM 537 O VAL A 36 -0.575 11.199 13.282 1.00 0.00 O ATOM 538 CB VAL A 36 1.700 9.520 11.507 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.409 10.548 10.638 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.248 9.548 12.929 1.00 0.00 C ATOM 0 H VAL A 36 0.216 9.352 9.440 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.282 8.964 12.104 1.00 0.00 H new ATOM 0 HB VAL A 36 1.889 8.534 11.083 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.482 10.359 10.653 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.041 10.475 9.614 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.212 11.548 11.024 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.325 9.379 12.907 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.042 10.519 13.379 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.770 8.766 13.519 1.00 0.00 H new ATOM 550 N ALA A 37 0.120 12.177 11.380 1.00 0.00 N ATOM 551 CA ALA A 37 -0.127 13.532 11.851 1.00 0.00 C ATOM 552 C ALA A 37 -1.624 13.833 11.880 1.00 0.00 C ATOM 553 O ALA A 37 -2.086 14.655 12.669 1.00 0.00 O ATOM 554 CB ALA A 37 0.595 14.534 10.966 1.00 0.00 C ATOM 0 H ALA A 37 0.492 12.123 10.432 1.00 0.00 H new ATOM 0 HA ALA A 37 0.257 13.617 12.867 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.403 15.544 11.328 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.667 14.337 10.992 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.234 14.441 9.942 1.00 0.00 H new ATOM 560 N ILE A 38 -2.371 13.171 11.003 1.00 0.00 N ATOM 561 CA ILE A 38 -3.816 13.384 10.922 1.00 0.00 C ATOM 562 C ILE A 38 -4.592 12.499 11.895 1.00 0.00 C ATOM 563 O ILE A 38 -5.216 12.992 12.833 1.00 0.00 O ATOM 564 CB ILE A 38 -4.338 13.141 9.493 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.489 13.924 8.492 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.807 13.537 9.384 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.313 15.381 8.852 1.00 0.00 C ATOM 0 H ILE A 38 -2.005 12.486 10.341 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.982 14.425 11.199 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.259 12.078 9.263 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.507 13.456 8.418 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.950 13.856 7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.158 13.358 8.368 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.397 12.942 10.081 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.918 14.594 9.625 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.700 15.871 8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.289 15.865 8.897 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.824 15.459 9.823 1.00 0.00 H new ATOM 579 N ASN A 39 -4.550 11.193 11.667 1.00 0.00 N ATOM 580 CA ASN A 39 -5.251 10.243 12.522 1.00 0.00 C ATOM 581 C ASN A 39 -4.280 9.238 13.137 1.00 0.00 C ATOM 582 O ASN A 39 -4.136 8.117 12.647 1.00 0.00 O ATOM 583 CB ASN A 39 -6.332 9.510 11.724 1.00 0.00 C ATOM 584 CG ASN A 39 -7.623 9.358 12.504 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.630 9.998 12.196 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.600 8.509 13.525 1.00 0.00 N ATOM 0 H ASN A 39 -4.037 10.766 10.896 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.722 10.800 13.332 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.530 10.055 10.801 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.964 8.524 11.440 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.438 8.367 14.089 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.744 7.999 13.745 1.00 0.00 H new ATOM 593 N PRO A 40 -3.593 9.633 14.225 1.00 0.00 N ATOM 594 CA PRO A 40 -2.628 8.768 14.911 1.00 0.00 C ATOM 595 C PRO A 40 -3.214 7.408 15.272 1.00 0.00 C ATOM 596 O PRO A 40 -2.544 6.384 15.157 1.00 0.00 O ATOM 597 CB PRO A 40 -2.288 9.551 16.181 1.00 0.00 C ATOM 598 CG PRO A 40 -2.546 10.974 15.827 1.00 0.00 C ATOM 599 CD PRO A 40 -3.705 10.955 14.869 1.00 0.00 C ATOM 0 HA PRO A 40 -1.766 8.548 14.282 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.907 9.233 17.020 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.250 9.398 16.475 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.782 11.561 16.715 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.668 11.428 15.369 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.657 11.070 15.387 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.638 11.764 14.141 1.00 0.00 H new ATOM 607 N ALA A 41 -4.469 7.403 15.712 1.00 0.00 N ATOM 608 CA ALA A 41 -5.138 6.165 16.092 1.00 0.00 C ATOM 609 C ALA A 41 -5.808 5.509 14.888 1.00 0.00 C ATOM 610 O ALA A 41 -6.969 5.105 14.953 1.00 0.00 O ATOM 611 CB ALA A 41 -6.153 6.430 17.193 1.00 0.00 C ATOM 0 H ALA A 41 -5.041 8.241 15.814 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.385 5.474 16.471 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.645 5.497 17.467 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.645 6.842 18.065 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.898 7.142 16.838 1.00 0.00 H new ATOM 617 N ALA A 42 -5.060 5.399 13.795 1.00 0.00 N ATOM 618 CA ALA A 42 -5.566 4.783 12.579 1.00 0.00 C ATOM 619 C ALA A 42 -4.419 4.328 11.690 1.00 0.00 C ATOM 620 O ALA A 42 -4.451 3.228 11.146 1.00 0.00 O ATOM 621 CB ALA A 42 -6.474 5.740 11.827 1.00 0.00 C ATOM 0 H ALA A 42 -4.098 5.731 13.729 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.151 3.908 12.861 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.841 5.258 10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.318 6.013 12.460 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.916 6.637 11.560 1.00 0.00 H new ATOM 627 N ALA A 43 -3.402 5.185 11.552 1.00 0.00 N ATOM 628 CA ALA A 43 -2.230 4.875 10.730 1.00 0.00 C ATOM 629 C ALA A 43 -1.884 3.392 10.812 1.00 0.00 C ATOM 630 O ALA A 43 -1.752 2.717 9.792 1.00 0.00 O ATOM 631 CB ALA A 43 -1.042 5.718 11.170 1.00 0.00 C ATOM 0 H ALA A 43 -3.368 6.100 12.000 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.468 5.112 9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.177 5.479 10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.285 6.775 11.060 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.812 5.505 12.214 1.00 0.00 H new ATOM 637 N ALA A 44 -1.740 2.896 12.036 1.00 0.00 N ATOM 638 CA ALA A 44 -1.412 1.495 12.263 1.00 0.00 C ATOM 639 C ALA A 44 -2.353 0.570 11.498 1.00 0.00 C ATOM 640 O ALA A 44 -1.920 -0.413 10.896 1.00 0.00 O ATOM 641 CB ALA A 44 -1.457 1.182 13.752 1.00 0.00 C ATOM 0 H ALA A 44 -1.846 3.446 12.888 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.402 1.322 11.891 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.210 0.132 13.911 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.735 1.808 14.277 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.458 1.382 14.136 1.00 0.00 H new ATOM 647 N LYS A 45 -3.641 0.895 11.524 1.00 0.00 N ATOM 648 CA LYS A 45 -4.648 0.099 10.832 1.00 0.00 C ATOM 649 C LYS A 45 -4.700 0.448 9.348 1.00 0.00 C ATOM 650 O LYS A 45 -4.786 -0.432 8.493 1.00 0.00 O ATOM 651 CB LYS A 45 -6.024 0.324 11.461 1.00 0.00 C ATOM 652 CG LYS A 45 -6.339 -0.628 12.604 1.00 0.00 C ATOM 653 CD LYS A 45 -7.095 -1.852 12.117 1.00 0.00 C ATOM 654 CE LYS A 45 -7.410 -2.802 13.261 1.00 0.00 C ATOM 655 NZ LYS A 45 -6.449 -3.937 13.323 1.00 0.00 N ATOM 0 H LYS A 45 -4.013 1.706 12.018 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.371 -0.951 10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.083 1.349 11.827 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.787 0.217 10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.412 -0.939 13.085 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.931 -0.109 13.358 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.022 -1.541 11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.503 -2.371 11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.387 -2.255 14.204 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.422 -3.190 13.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.699 -4.561 14.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.489 -4.475 12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.486 -3.569 13.462 1.00 0.00 H new ATOM 669 N VAL A 46 -4.657 1.743 9.057 1.00 0.00 N ATOM 670 CA VAL A 46 -4.711 2.228 7.684 1.00 0.00 C ATOM 671 C VAL A 46 -3.528 1.740 6.861 1.00 0.00 C ATOM 672 O VAL A 46 -3.700 1.138 5.808 1.00 0.00 O ATOM 673 CB VAL A 46 -4.721 3.765 7.649 1.00 0.00 C ATOM 674 CG1 VAL A 46 -5.016 4.269 6.249 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.725 4.312 8.649 1.00 0.00 C ATOM 0 H VAL A 46 -4.584 2.480 9.759 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.631 1.834 7.253 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.731 4.123 7.931 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.018 5.359 6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.250 3.907 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.992 3.904 5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.719 5.401 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.721 3.945 8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.456 3.982 9.652 1.00 0.00 H new ATOM 685 N THR A 47 -2.330 2.025 7.348 1.00 0.00 N ATOM 686 CA THR A 47 -1.110 1.637 6.654 1.00 0.00 C ATOM 687 C THR A 47 -1.012 0.120 6.502 1.00 0.00 C ATOM 688 O THR A 47 -0.710 -0.387 5.421 1.00 0.00 O ATOM 689 CB THR A 47 0.106 2.182 7.404 1.00 0.00 C ATOM 690 OG1 THR A 47 -0.031 3.577 7.610 1.00 0.00 O ATOM 691 CG2 THR A 47 1.412 1.953 6.680 1.00 0.00 C ATOM 0 H THR A 47 -2.176 2.525 8.224 1.00 0.00 H new ATOM 0 HA THR A 47 -1.135 2.065 5.652 1.00 0.00 H new ATOM 0 HB THR A 47 0.137 1.637 8.347 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.600 3.738 8.391 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.232 2.365 7.269 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.568 0.883 6.540 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.380 2.445 5.708 1.00 0.00 H new ATOM 699 N GLY A 48 -1.259 -0.600 7.591 1.00 0.00 N ATOM 700 CA GLY A 48 -1.177 -2.050 7.558 1.00 0.00 C ATOM 701 C GLY A 48 -2.306 -2.683 6.776 1.00 0.00 C ATOM 702 O GLY A 48 -2.066 -3.453 5.845 1.00 0.00 O ATOM 0 H GLY A 48 -1.515 -0.206 8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.225 -2.346 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.188 -2.433 8.578 1.00 0.00 H new ATOM 706 N MET A 49 -3.535 -2.357 7.149 1.00 0.00 N ATOM 707 CA MET A 49 -4.700 -2.901 6.463 1.00 0.00 C ATOM 708 C MET A 49 -4.803 -2.338 5.056 1.00 0.00 C ATOM 709 O MET A 49 -4.974 -3.088 4.096 1.00 0.00 O ATOM 710 CB MET A 49 -5.983 -2.581 7.235 1.00 0.00 C ATOM 711 CG MET A 49 -5.960 -3.036 8.684 1.00 0.00 C ATOM 712 SD MET A 49 -5.769 -4.822 8.847 1.00 0.00 S ATOM 713 CE MET A 49 -4.060 -4.930 9.367 1.00 0.00 C ATOM 0 H MET A 49 -3.752 -1.723 7.918 1.00 0.00 H new ATOM 0 HA MET A 49 -4.579 -3.983 6.408 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.154 -1.505 7.205 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.826 -3.052 6.730 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.142 -2.538 9.204 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.884 -2.727 9.173 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.848 -5.941 9.714 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.408 -4.691 8.527 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.881 -4.224 10.178 1.00 0.00 H new ATOM 723 N LEU A 50 -4.733 -1.004 4.960 1.00 0.00 N ATOM 724 CA LEU A 50 -4.851 -0.266 3.689 1.00 0.00 C ATOM 725 C LEU A 50 -5.500 -1.080 2.571 1.00 0.00 C ATOM 726 O LEU A 50 -6.606 -0.768 2.133 1.00 0.00 O ATOM 727 CB LEU A 50 -3.481 0.210 3.210 1.00 0.00 C ATOM 728 CG LEU A 50 -3.515 1.035 1.922 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.198 2.373 2.162 1.00 0.00 C ATOM 730 CD2 LEU A 50 -2.109 1.240 1.382 1.00 0.00 C ATOM 0 H LEU A 50 -4.592 -0.398 5.768 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.500 0.583 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.021 0.807 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.842 -0.659 3.054 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.091 0.486 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.213 2.946 1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.220 2.204 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.651 2.929 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.153 1.829 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.508 1.767 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.656 0.272 1.169 1.00 0.00 H new ATOM 742 N LEU A 51 -4.810 -2.121 2.110 1.00 0.00 N ATOM 743 CA LEU A 51 -5.325 -2.961 1.039 1.00 0.00 C ATOM 744 C LEU A 51 -6.511 -3.796 1.506 1.00 0.00 C ATOM 745 O LEU A 51 -6.444 -5.024 1.545 1.00 0.00 O ATOM 746 CB LEU A 51 -4.211 -3.867 0.502 1.00 0.00 C ATOM 747 CG LEU A 51 -3.165 -3.158 -0.369 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.827 -3.079 0.350 1.00 0.00 C ATOM 749 CD2 LEU A 51 -3.010 -3.865 -1.707 1.00 0.00 C ATOM 0 H LEU A 51 -3.895 -2.400 2.463 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.675 -2.310 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.703 -4.334 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.664 -4.669 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.513 -2.142 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.101 -2.573 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.946 -2.522 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.474 -4.086 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.264 -3.346 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.690 -4.894 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.965 -3.863 -2.232 1.00 0.00 H new ATOM 761 N GLU A 52 -7.606 -3.118 1.847 1.00 0.00 N ATOM 762 CA GLU A 52 -8.816 -3.794 2.295 1.00 0.00 C ATOM 763 C GLU A 52 -9.654 -4.227 1.097 1.00 0.00 C ATOM 764 O GLU A 52 -9.318 -3.930 -0.049 1.00 0.00 O ATOM 765 CB GLU A 52 -9.648 -2.874 3.191 1.00 0.00 C ATOM 766 CG GLU A 52 -9.076 -2.683 4.588 1.00 0.00 C ATOM 767 CD GLU A 52 -9.163 -3.940 5.436 1.00 0.00 C ATOM 768 OE1 GLU A 52 -9.322 -5.036 4.862 1.00 0.00 O ATOM 769 OE2 GLU A 52 -9.072 -3.823 6.676 1.00 0.00 O ATOM 0 H GLU A 52 -7.677 -2.101 1.821 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.520 -4.674 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.737 -1.900 2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.656 -3.281 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.034 -2.374 4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.611 -1.875 5.088 1.00 0.00 H new ATOM 776 N MET A 53 -10.740 -4.940 1.368 1.00 0.00 N ATOM 777 CA MET A 53 -11.614 -5.423 0.306 1.00 0.00 C ATOM 778 C MET A 53 -12.304 -4.268 -0.420 1.00 0.00 C ATOM 779 O MET A 53 -12.116 -4.081 -1.621 1.00 0.00 O ATOM 780 CB MET A 53 -12.662 -6.372 0.884 1.00 0.00 C ATOM 781 CG MET A 53 -12.079 -7.688 1.373 1.00 0.00 C ATOM 782 SD MET A 53 -11.513 -8.738 0.023 1.00 0.00 S ATOM 783 CE MET A 53 -13.008 -9.653 -0.343 1.00 0.00 C ATOM 0 H MET A 53 -11.036 -5.196 2.310 1.00 0.00 H new ATOM 0 HA MET A 53 -10.998 -5.956 -0.418 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.171 -5.879 1.712 1.00 0.00 H new ATOM 0 HB3 MET A 53 -13.415 -6.577 0.123 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.245 -7.485 2.045 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.832 -8.222 1.953 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.818 -10.348 -1.161 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.320 -10.210 0.541 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.798 -8.959 -0.632 1.00 0.00 H new ATOM 793 N ASP A 54 -13.098 -3.494 0.310 1.00 0.00 N ATOM 794 CA ASP A 54 -13.808 -2.366 -0.280 1.00 0.00 C ATOM 795 C ASP A 54 -12.993 -1.090 -0.155 1.00 0.00 C ATOM 796 O ASP A 54 -12.372 -0.641 -1.120 1.00 0.00 O ATOM 797 CB ASP A 54 -15.173 -2.194 0.386 1.00 0.00 C ATOM 798 CG ASP A 54 -15.901 -0.942 -0.070 1.00 0.00 C ATOM 799 OD1 ASP A 54 -15.697 -0.527 -1.230 1.00 0.00 O ATOM 800 OD2 ASP A 54 -16.671 -0.377 0.733 1.00 0.00 O ATOM 0 H ASP A 54 -13.266 -3.626 1.307 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.958 -2.571 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.790 -3.066 0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.042 -2.158 1.467 1.00 0.00 H new ATOM 805 N ASN A 55 -12.993 -0.507 1.039 1.00 0.00 N ATOM 806 CA ASN A 55 -12.251 0.719 1.294 1.00 0.00 C ATOM 807 C ASN A 55 -10.850 0.644 0.692 1.00 0.00 C ATOM 808 O ASN A 55 -10.270 1.661 0.315 1.00 0.00 O ATOM 809 CB ASN A 55 -12.157 0.975 2.796 1.00 0.00 C ATOM 810 CG ASN A 55 -11.920 2.436 3.103 1.00 0.00 C ATOM 811 OD1 ASN A 55 -12.840 3.166 3.472 1.00 0.00 O ATOM 812 ND2 ASN A 55 -10.681 2.870 2.943 1.00 0.00 N ATOM 0 H ASN A 55 -13.501 -0.867 1.847 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.786 1.543 0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -13.077 0.647 3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.347 0.379 3.216 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.455 3.847 3.127 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.951 2.227 2.635 1.00 0.00 H new ATOM 819 N GLY A 56 -10.320 -0.570 0.601 1.00 0.00 N ATOM 820 CA GLY A 56 -8.999 -0.761 0.042 1.00 0.00 C ATOM 821 C GLY A 56 -8.940 -0.452 -1.442 1.00 0.00 C ATOM 822 O GLY A 56 -8.122 0.359 -1.876 1.00 0.00 O ATOM 0 H GLY A 56 -10.784 -1.426 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.290 -0.123 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.685 -1.792 0.207 1.00 0.00 H new ATOM 826 N GLU A 57 -9.797 -1.103 -2.233 1.00 0.00 N ATOM 827 CA GLU A 57 -9.808 -0.883 -3.683 1.00 0.00 C ATOM 828 C GLU A 57 -9.560 0.578 -4.037 1.00 0.00 C ATOM 829 O GLU A 57 -8.704 0.891 -4.865 1.00 0.00 O ATOM 830 CB GLU A 57 -11.130 -1.336 -4.287 1.00 0.00 C ATOM 831 CG GLU A 57 -11.443 -2.795 -4.023 1.00 0.00 C ATOM 832 CD GLU A 57 -10.801 -3.726 -5.034 1.00 0.00 C ATOM 833 OE1 GLU A 57 -11.154 -3.642 -6.229 1.00 0.00 O ATOM 834 OE2 GLU A 57 -9.944 -4.541 -4.630 1.00 0.00 O ATOM 0 H GLU A 57 -10.485 -1.779 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.996 -1.478 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.935 -0.721 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.107 -1.166 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.100 -3.060 -3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.523 -2.939 -4.038 1.00 0.00 H new ATOM 841 N ILE A 58 -10.306 1.474 -3.401 1.00 0.00 N ATOM 842 CA ILE A 58 -10.154 2.903 -3.645 1.00 0.00 C ATOM 843 C ILE A 58 -8.697 3.319 -3.480 1.00 0.00 C ATOM 844 O ILE A 58 -8.144 4.044 -4.307 1.00 0.00 O ATOM 845 CB ILE A 58 -11.039 3.728 -2.685 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.508 3.602 -3.083 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.614 5.193 -2.667 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.453 4.259 -2.101 1.00 0.00 C ATOM 0 H ILE A 58 -11.021 1.236 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.472 3.101 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.911 3.330 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.650 4.048 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.764 2.546 -3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.255 5.749 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.578 5.267 -2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.705 5.611 -3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.480 4.132 -2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.338 3.797 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.223 5.322 -2.030 1.00 0.00 H new ATOM 860 N LEU A 59 -8.091 2.860 -2.387 1.00 0.00 N ATOM 861 CA LEU A 59 -6.704 3.180 -2.074 1.00 0.00 C ATOM 862 C LEU A 59 -5.815 3.154 -3.309 1.00 0.00 C ATOM 863 O LEU A 59 -4.847 3.907 -3.402 1.00 0.00 O ATOM 864 CB LEU A 59 -6.171 2.203 -1.029 1.00 0.00 C ATOM 865 CG LEU A 59 -5.547 0.924 -1.592 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.084 1.147 -1.952 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.687 -0.204 -0.593 1.00 0.00 C ATOM 0 H LEU A 59 -8.546 2.260 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.683 4.195 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.425 2.716 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.988 1.927 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.077 0.651 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.662 0.224 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.010 1.933 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.531 1.444 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.240 -1.110 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.179 0.065 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.743 -0.380 -0.389 1.00 0.00 H new ATOM 879 N ASN A 60 -6.150 2.284 -4.253 1.00 0.00 N ATOM 880 CA ASN A 60 -5.378 2.160 -5.488 1.00 0.00 C ATOM 881 C ASN A 60 -5.042 3.532 -6.078 1.00 0.00 C ATOM 882 O ASN A 60 -4.084 3.673 -6.839 1.00 0.00 O ATOM 883 CB ASN A 60 -6.152 1.329 -6.512 1.00 0.00 C ATOM 884 CG ASN A 60 -5.278 0.877 -7.666 1.00 0.00 C ATOM 885 OD1 ASN A 60 -4.056 0.804 -7.541 1.00 0.00 O ATOM 886 ND2 ASN A 60 -5.902 0.575 -8.798 1.00 0.00 N ATOM 0 H ASN A 60 -6.949 1.654 -4.190 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.442 1.657 -5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.579 0.456 -6.019 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.985 1.917 -6.898 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.366 0.268 -9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.918 0.650 -8.856 1.00 0.00 H new ATOM 893 N LEU A 61 -5.839 4.541 -5.728 1.00 0.00 N ATOM 894 CA LEU A 61 -5.626 5.895 -6.225 1.00 0.00 C ATOM 895 C LEU A 61 -5.238 6.852 -5.097 1.00 0.00 C ATOM 896 O LEU A 61 -5.886 7.880 -4.903 1.00 0.00 O ATOM 897 CB LEU A 61 -6.896 6.395 -6.912 1.00 0.00 C ATOM 898 CG LEU A 61 -7.551 5.391 -7.860 1.00 0.00 C ATOM 899 CD1 LEU A 61 -8.949 5.021 -7.378 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.599 5.948 -9.275 1.00 0.00 C ATOM 0 H LEU A 61 -6.638 4.444 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.804 5.867 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.620 6.676 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.657 7.299 -7.472 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.946 4.484 -7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.395 4.305 -8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.886 4.576 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.568 5.917 -7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.068 5.220 -9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.178 6.872 -9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.585 6.152 -9.620 1.00 0.00 H new ATOM 912 N LEU A 62 -4.187 6.498 -4.348 1.00 0.00 N ATOM 913 CA LEU A 62 -3.710 7.315 -3.223 1.00 0.00 C ATOM 914 C LEU A 62 -4.006 8.806 -3.425 1.00 0.00 C ATOM 915 O LEU A 62 -3.237 9.525 -4.062 1.00 0.00 O ATOM 916 CB LEU A 62 -2.207 7.105 -3.027 1.00 0.00 C ATOM 917 CG LEU A 62 -1.816 5.749 -2.450 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.497 5.277 -3.042 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.726 5.816 -0.933 1.00 0.00 C ATOM 0 H LEU A 62 -3.647 5.646 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.248 6.991 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.709 7.231 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.829 7.886 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.590 5.029 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.234 4.308 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.596 5.186 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.286 5.999 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.446 4.838 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.974 6.551 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.693 6.107 -0.524 1.00 0.00 H new ATOM 931 N ASP A 63 -5.138 9.246 -2.881 1.00 0.00 N ATOM 932 CA ASP A 63 -5.568 10.640 -2.998 1.00 0.00 C ATOM 933 C ASP A 63 -5.596 11.330 -1.635 1.00 0.00 C ATOM 934 O ASP A 63 -5.565 10.674 -0.596 1.00 0.00 O ATOM 935 CB ASP A 63 -6.956 10.702 -3.639 1.00 0.00 C ATOM 936 CG ASP A 63 -6.893 10.912 -5.139 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.498 12.015 -5.568 1.00 0.00 O ATOM 938 OD2 ASP A 63 -7.241 9.972 -5.884 1.00 0.00 O ATOM 0 H ASP A 63 -5.778 8.655 -2.352 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.849 11.164 -3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.492 9.777 -3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.526 11.513 -3.185 1.00 0.00 H new ATOM 943 N THR A 64 -5.662 12.660 -1.641 1.00 0.00 N ATOM 944 CA THR A 64 -5.701 13.419 -0.395 1.00 0.00 C ATOM 945 C THR A 64 -7.070 13.296 0.267 1.00 0.00 C ATOM 946 O THR A 64 -7.164 12.950 1.440 1.00 0.00 O ATOM 947 CB THR A 64 -5.365 14.891 -0.640 1.00 0.00 C ATOM 948 OG1 THR A 64 -4.526 15.034 -1.772 1.00 0.00 O ATOM 949 CG2 THR A 64 -4.668 15.544 0.534 1.00 0.00 C ATOM 0 H THR A 64 -5.689 13.229 -2.487 1.00 0.00 H new ATOM 0 HA THR A 64 -4.949 13.001 0.275 1.00 0.00 H new ATOM 0 HB THR A 64 -6.324 15.386 -0.797 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.325 15.983 -1.912 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.457 16.587 0.298 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.311 15.494 1.413 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.733 15.022 0.739 1.00 0.00 H new ATOM 957 N PRO A 65 -8.159 13.577 -0.468 1.00 0.00 N ATOM 958 CA PRO A 65 -9.507 13.481 0.084 1.00 0.00 C ATOM 959 C PRO A 65 -9.967 12.033 0.239 1.00 0.00 C ATOM 960 O PRO A 65 -10.132 11.543 1.353 1.00 0.00 O ATOM 961 CB PRO A 65 -10.375 14.222 -0.934 1.00 0.00 C ATOM 962 CG PRO A 65 -9.618 14.176 -2.221 1.00 0.00 C ATOM 963 CD PRO A 65 -8.158 14.003 -1.878 1.00 0.00 C ATOM 0 HA PRO A 65 -9.565 13.904 1.087 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.350 13.746 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.553 15.251 -0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.967 13.351 -2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.773 15.092 -2.791 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.686 13.258 -2.518 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.606 14.933 -2.011 1.00 0.00 H new ATOM 971 N GLY A 66 -10.171 11.353 -0.886 1.00 0.00 N ATOM 972 CA GLY A 66 -10.616 9.969 -0.857 1.00 0.00 C ATOM 973 C GLY A 66 -9.859 9.119 0.147 1.00 0.00 C ATOM 974 O GLY A 66 -10.456 8.564 1.070 1.00 0.00 O ATOM 0 H GLY A 66 -10.036 11.737 -1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.679 9.941 -0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.500 9.536 -1.851 1.00 0.00 H new ATOM 978 N LEU A 67 -8.549 9.005 -0.033 1.00 0.00 N ATOM 979 CA LEU A 67 -7.721 8.209 0.860 1.00 0.00 C ATOM 980 C LEU A 67 -7.855 8.676 2.304 1.00 0.00 C ATOM 981 O LEU A 67 -8.428 7.982 3.138 1.00 0.00 O ATOM 982 CB LEU A 67 -6.259 8.298 0.415 1.00 0.00 C ATOM 983 CG LEU A 67 -5.494 6.978 0.300 1.00 0.00 C ATOM 984 CD1 LEU A 67 -4.792 6.644 1.607 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.410 5.841 -0.120 1.00 0.00 C ATOM 0 H LEU A 67 -8.037 9.456 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.059 7.174 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.228 8.795 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.728 8.939 1.118 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.738 7.102 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.255 5.701 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.087 7.438 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.530 6.553 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.835 4.918 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.201 5.719 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.853 6.069 -1.090 1.00 0.00 H new ATOM 997 N LEU A 68 -7.315 9.855 2.593 1.00 0.00 N ATOM 998 CA LEU A 68 -7.357 10.410 3.943 1.00 0.00 C ATOM 999 C LEU A 68 -8.756 10.341 4.549 1.00 0.00 C ATOM 1000 O LEU A 68 -8.900 10.307 5.768 1.00 0.00 O ATOM 1001 CB LEU A 68 -6.851 11.851 3.935 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.643 12.116 4.828 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.368 11.644 4.146 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.551 13.595 5.174 1.00 0.00 C ATOM 0 H LEU A 68 -6.842 10.447 1.910 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.704 9.802 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.594 12.124 2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.664 12.507 4.245 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.766 11.555 5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.514 11.840 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.436 10.574 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.239 12.179 3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.684 13.766 5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.449 14.177 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.455 13.902 5.700 1.00 0.00 H new ATOM 1016 N ASP A 69 -9.784 10.315 3.705 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.156 10.238 4.196 1.00 0.00 C ATOM 1018 C ASP A 69 -11.560 8.784 4.422 1.00 0.00 C ATOM 1019 O ASP A 69 -11.880 8.386 5.540 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.126 10.916 3.228 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.355 11.455 3.933 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -13.283 11.689 5.157 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.392 11.641 3.261 1.00 0.00 O ATOM 0 H ASP A 69 -9.695 10.346 2.689 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.204 10.767 5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.615 11.732 2.717 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.432 10.202 2.463 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.526 7.987 3.358 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.875 6.575 3.457 1.00 0.00 C ATOM 1030 C ALA A 70 -10.904 5.837 4.377 1.00 0.00 C ATOM 1031 O ALA A 70 -11.187 4.731 4.835 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.890 5.933 2.077 1.00 0.00 C ATOM 0 H ALA A 70 -11.262 8.294 2.422 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.874 6.501 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.152 4.879 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.625 6.437 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.903 6.023 1.623 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.753 6.456 4.636 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.733 5.859 5.491 1.00 0.00 C ATOM 1040 C LYS A 71 -9.036 6.097 6.971 1.00 0.00 C ATOM 1041 O LYS A 71 -9.114 5.153 7.756 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.367 6.464 5.160 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.681 5.877 3.924 1.00 0.00 C ATOM 1044 CD LYS A 71 -6.773 4.357 3.870 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.811 3.896 2.862 1.00 0.00 C ATOM 1046 NZ LYS A 71 -7.289 2.828 1.967 1.00 0.00 N ATOM 0 H LYS A 71 -9.505 7.373 4.264 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.728 4.785 5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.488 7.537 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.710 6.331 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.136 6.297 3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.632 6.174 3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.800 3.942 3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.027 3.972 4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.690 3.527 3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.134 4.746 2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.055 2.485 1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.520 3.211 1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.927 2.040 2.541 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.197 7.368 7.346 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.479 7.731 8.735 1.00 0.00 C ATOM 1062 C VAL A 72 -10.769 7.099 9.233 1.00 0.00 C ATOM 1063 O VAL A 72 -10.832 6.592 10.350 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.584 9.260 8.920 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.223 9.919 8.768 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.589 9.858 7.945 1.00 0.00 C ATOM 0 H VAL A 72 -9.137 8.161 6.708 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.639 7.352 9.317 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.941 9.453 9.932 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.323 10.996 8.903 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.540 9.521 9.519 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.828 9.713 7.773 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.645 10.936 8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.272 9.650 6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.570 9.416 8.118 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.796 7.151 8.401 1.00 0.00 N ATOM 1077 CA GLN A 73 -13.097 6.603 8.755 1.00 0.00 C ATOM 1078 C GLN A 73 -13.065 5.081 8.827 1.00 0.00 C ATOM 1079 O GLN A 73 -13.564 4.487 9.781 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.135 7.064 7.736 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.068 8.553 7.441 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.490 9.402 8.625 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -13.630 9.482 9.636 1.00 0.00 O flip ATOM 1084 NE2 GLN A 73 -15.577 9.979 8.634 1.00 0.00 N flip ATOM 0 H GLN A 73 -11.754 7.569 7.471 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.366 6.970 9.745 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.994 6.510 6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.131 6.818 8.105 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.050 8.817 7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.709 8.780 6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.208 9.891 7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.847 10.545 9.438 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.485 4.453 7.812 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.407 2.999 7.766 1.00 0.00 C ATOM 1095 C GLU A 74 -11.555 2.449 8.904 1.00 0.00 C ATOM 1096 O GLU A 74 -11.775 1.329 9.367 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.848 2.539 6.421 1.00 0.00 C ATOM 1098 CG GLU A 74 -11.776 1.027 6.281 1.00 0.00 C ATOM 1099 CD GLU A 74 -10.356 0.527 6.102 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -9.768 0.781 5.029 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -9.832 -0.117 7.034 1.00 0.00 O ATOM 0 H GLU A 74 -12.063 4.926 7.013 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.418 2.609 7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.470 2.941 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.850 2.956 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.213 0.562 7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.378 0.715 5.427 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.585 3.235 9.356 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.712 2.810 10.446 1.00 0.00 C ATOM 1110 C ALA A 75 -10.352 3.095 11.798 1.00 0.00 C ATOM 1111 O ALA A 75 -10.373 2.237 12.679 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.361 3.499 10.347 1.00 0.00 C ATOM 0 H ALA A 75 -10.383 4.165 8.988 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.563 1.734 10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.724 3.170 11.168 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.891 3.243 9.397 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.498 4.579 10.405 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.877 4.305 11.952 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.523 4.701 13.198 1.00 0.00 C ATOM 1120 C LEU A 76 -12.827 3.936 13.394 1.00 0.00 C ATOM 1121 O LEU A 76 -13.220 3.637 14.521 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.786 6.209 13.202 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.692 7.057 13.849 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.101 8.523 13.880 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.389 6.559 15.254 1.00 0.00 C ATOM 0 H LEU A 76 -10.868 5.027 11.232 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.855 4.459 14.025 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.920 6.541 12.173 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.725 6.397 13.723 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.787 6.964 13.249 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.310 9.112 14.344 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.267 8.876 12.862 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.020 8.632 14.456 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.607 7.176 15.698 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.290 6.620 15.864 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.052 5.523 15.208 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.492 3.615 12.288 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.749 2.878 12.340 1.00 0.00 C ATOM 1139 C GLU A 77 -14.513 1.457 12.836 1.00 0.00 C ATOM 1140 O GLU A 77 -15.202 0.979 13.737 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.406 2.840 10.960 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.763 2.152 10.953 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.436 2.196 9.594 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.840 2.762 8.653 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -18.559 1.665 9.470 1.00 0.00 O ATOM 0 H GLU A 77 -13.181 3.854 11.346 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.415 3.390 13.034 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.523 3.860 10.594 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.743 2.325 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.640 1.113 11.259 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.410 2.627 11.690 1.00 0.00 H new ATOM 1152 N VAL A 78 -13.537 0.786 12.233 1.00 0.00 N ATOM 1153 CA VAL A 78 -13.210 -0.581 12.604 1.00 0.00 C ATOM 1154 C VAL A 78 -12.375 -0.622 13.885 1.00 0.00 C ATOM 1155 O VAL A 78 -12.642 -1.422 14.782 1.00 0.00 O ATOM 1156 CB VAL A 78 -12.466 -1.304 11.461 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -11.005 -0.881 11.397 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -12.593 -2.809 11.618 1.00 0.00 C ATOM 0 H VAL A 78 -12.960 1.170 11.485 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.149 -1.102 12.789 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.930 -1.016 10.518 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.509 -1.408 10.582 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.945 0.194 11.224 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.514 -1.125 12.339 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.064 -3.306 10.805 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.161 -3.113 12.571 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.646 -3.090 11.590 1.00 0.00 H new ATOM 1168 N LEU A 79 -11.373 0.249 13.968 1.00 0.00 N ATOM 1169 CA LEU A 79 -10.515 0.312 15.149 1.00 0.00 C ATOM 1170 C LEU A 79 -9.918 -1.058 15.466 1.00 0.00 C ATOM 1171 O LEU A 79 -10.010 -1.989 14.666 1.00 0.00 O ATOM 1172 CB LEU A 79 -11.321 0.809 16.351 1.00 0.00 C ATOM 1173 CG LEU A 79 -10.927 2.188 16.880 1.00 0.00 C ATOM 1174 CD1 LEU A 79 -11.844 2.594 18.024 1.00 0.00 C ATOM 1175 CD2 LEU A 79 -9.474 2.195 17.331 1.00 0.00 C ATOM 0 H LEU A 79 -11.135 0.918 13.236 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.700 1.005 14.941 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.375 0.832 16.075 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.219 0.085 17.160 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.036 2.913 16.073 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.553 3.578 18.392 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -12.874 2.629 17.670 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.763 1.866 18.831 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.214 3.186 17.704 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.336 1.461 18.124 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.830 1.944 16.488 1.00 0.00 H new ATOM 1187 N ASN A 80 -9.309 -1.171 16.645 1.00 0.00 N ATOM 1188 CA ASN A 80 -8.703 -2.423 17.078 1.00 0.00 C ATOM 1189 C ASN A 80 -9.749 -3.519 17.260 1.00 0.00 C ATOM 1190 O ASN A 80 -9.398 -4.673 17.505 1.00 0.00 O ATOM 1191 CB ASN A 80 -7.932 -2.211 18.384 1.00 0.00 C ATOM 1192 CG ASN A 80 -6.700 -3.092 18.488 1.00 0.00 C ATOM 1193 OD1 ASN A 80 -5.645 -2.651 18.941 1.00 0.00 O ATOM 1194 ND2 ASN A 80 -6.826 -4.348 18.070 1.00 0.00 N ATOM 0 H ASN A 80 -9.224 -0.408 17.316 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.013 -2.746 16.299 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.633 -1.165 18.459 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.592 -2.415 19.227 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.030 -4.984 18.119 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.719 -4.675 17.701 1.00 0.00 H new ATOM 1201 N ARG A 81 -11.032 -3.170 17.141 1.00 0.00 N ATOM 1202 CA ARG A 81 -12.109 -4.149 17.290 1.00 0.00 C ATOM 1203 C ARG A 81 -12.066 -5.207 16.182 1.00 0.00 C ATOM 1204 O ARG A 81 -13.086 -5.811 15.852 1.00 0.00 O ATOM 1205 CB ARG A 81 -13.466 -3.441 17.278 1.00 0.00 C ATOM 1206 CG ARG A 81 -13.620 -2.395 18.371 1.00 0.00 C ATOM 1207 CD ARG A 81 -13.988 -3.031 19.703 1.00 0.00 C ATOM 1208 NE ARG A 81 -14.656 -2.087 20.597 1.00 0.00 N ATOM 1209 CZ ARG A 81 -15.973 -2.055 20.805 1.00 0.00 C ATOM 1210 NH1 ARG A 81 -16.781 -2.892 20.166 1.00 0.00 N ATOM 1211 NH2 ARG A 81 -16.485 -1.173 21.655 1.00 0.00 N ATOM 0 H ARG A 81 -11.349 -2.221 16.943 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.969 -4.655 18.245 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.608 -2.964 16.308 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.255 -4.185 17.386 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -12.689 -1.838 18.477 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.389 -1.678 18.084 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.640 -3.887 19.528 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.087 -3.410 20.185 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.078 -1.409 21.094 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.396 -3.569 19.507 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.787 -2.858 20.334 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.872 -0.523 22.146 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.492 -1.146 21.817 1.00 0.00 H new ATOM 1225 N HIS A 82 -10.882 -5.429 15.615 1.00 0.00 N ATOM 1226 CA HIS A 82 -10.702 -6.406 14.556 1.00 0.00 C ATOM 1227 C HIS A 82 -10.769 -7.824 15.113 1.00 0.00 C ATOM 1228 O HIS A 82 -10.050 -8.165 16.053 1.00 0.00 O ATOM 1229 CB HIS A 82 -9.355 -6.175 13.865 1.00 0.00 C ATOM 1230 CG HIS A 82 -9.472 -5.995 12.383 1.00 0.00 C ATOM 1231 ND1 HIS A 82 -10.272 -5.188 11.654 1.00 0.00 N flip ATOM 1232 CD2 HIS A 82 -8.710 -6.699 11.474 1.00 0.00 C flip ATOM 1233 CE1 HIS A 82 -9.985 -5.413 10.331 1.00 0.00 C flip ATOM 1234 NE2 HIS A 82 -9.038 -6.329 10.250 1.00 0.00 N flip ATOM 0 H HIS A 82 -10.028 -4.937 15.878 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.506 -6.286 13.829 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -8.881 -5.293 14.295 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.699 -7.021 14.070 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.962 -7.437 11.724 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.457 -4.921 9.493 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.629 -6.690 9.388 1.00 0.00 H new ATOM 1243 N MET A 83 -11.633 -8.643 14.529 1.00 0.00 N ATOM 1244 CA MET A 83 -11.792 -10.022 14.968 1.00 0.00 C ATOM 1245 C MET A 83 -11.987 -10.954 13.774 1.00 0.00 C ATOM 1246 O MET A 83 -11.118 -11.769 13.464 1.00 0.00 O ATOM 1247 CB MET A 83 -12.979 -10.139 15.929 1.00 0.00 C ATOM 1248 CG MET A 83 -12.566 -10.287 17.386 1.00 0.00 C ATOM 1249 SD MET A 83 -12.990 -11.898 18.074 1.00 0.00 S ATOM 1250 CE MET A 83 -14.734 -11.675 18.415 1.00 0.00 C ATOM 0 H MET A 83 -12.235 -8.376 13.750 1.00 0.00 H new ATOM 0 HA MET A 83 -10.883 -10.320 15.490 1.00 0.00 H new ATOM 0 HB2 MET A 83 -13.609 -9.255 15.826 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.586 -10.998 15.642 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.490 -10.133 17.471 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.048 -9.507 17.976 1.00 0.00 H new ATOM 0 HE1 MET A 83 -15.140 -12.590 18.846 1.00 0.00 H new ATOM 0 HE2 MET A 83 -14.865 -10.853 19.119 1.00 0.00 H new ATOM 0 HE3 MET A 83 -15.260 -11.446 17.488 1.00 0.00 H new ATOM 1260 N ASN A 84 -13.132 -10.832 13.110 1.00 0.00 N ATOM 1261 CA ASN A 84 -13.437 -11.667 11.952 1.00 0.00 C ATOM 1262 C ASN A 84 -13.542 -10.830 10.680 1.00 0.00 C ATOM 1263 O ASN A 84 -12.667 -10.886 9.816 1.00 0.00 O ATOM 1264 CB ASN A 84 -14.736 -12.440 12.185 1.00 0.00 C ATOM 1265 CG ASN A 84 -14.762 -13.133 13.533 1.00 0.00 C ATOM 1266 OD1 ASN A 84 -15.119 -12.386 14.573 1.00 0.00 O flip ATOM 1267 ND2 ASN A 84 -14.463 -14.321 13.640 1.00 0.00 N flip ATOM 0 H ASN A 84 -13.864 -10.164 13.353 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.619 -12.376 11.823 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.581 -11.755 12.115 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.861 -13.181 11.396 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.195 -14.856 12.814 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.483 -14.772 14.555 1.00 0.00 H new ATOM 1274 N VAL A 85 -14.619 -10.056 10.568 1.00 0.00 N ATOM 1275 CA VAL A 85 -14.835 -9.212 9.396 1.00 0.00 C ATOM 1276 C VAL A 85 -15.246 -7.803 9.806 1.00 0.00 C ATOM 1277 O VAL A 85 -16.197 -7.673 10.606 1.00 0.00 O ATOM 1278 CB VAL A 85 -15.916 -9.796 8.467 1.00 0.00 C ATOM 1279 CG1 VAL A 85 -15.948 -9.042 7.147 1.00 0.00 C ATOM 1280 CG2 VAL A 85 -15.681 -11.281 8.231 1.00 0.00 C ATOM 1281 OXT VAL A 85 -14.616 -6.838 9.323 1.00 0.00 O ATOM 0 H VAL A 85 -15.354 -9.996 11.273 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.888 -9.175 8.857 1.00 0.00 H new ATOM 0 HB VAL A 85 -16.884 -9.679 8.954 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.717 -9.468 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -16.172 -7.992 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.978 -9.125 6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.456 -11.672 7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -14.705 -11.426 7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.713 -11.810 9.183 1.00 0.00 H new TER 1291 VAL A 85