USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 486 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 47 SER OG : rot -160:sc= -0.432 USER MOD Set 1.2: A 52 GLN : amide:sc= -0.996 X(o=-1.4,f=-1.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 0.214 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0341 USER MOD Single : A 5 SER OG : rot 51:sc= 0.00228 USER MOD Single : A 6 SER OG : rot 44:sc= 0.0988 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -137:sc= 1.07 USER MOD Single : A 16 ASN : amide:sc= -0.0556 K(o=-0.056,f=-2.3!) USER MOD Single : A 17 TYR OH : rot -140:sc= -0.228 USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00555) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.35) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 56:sc= 0.724 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00644) USER MOD Single : A 39 ASN : amide:sc= 0.441 K(o=0.44,f=-5.1!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -48:sc= 1.29 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.043 X(o=-0.043,f=-0.043) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.00041) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -86:sc= 0.718 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.991 -8.278 -20.104 1.00 0.00 N ATOM 2 CA GLY A 1 15.360 -9.565 -19.878 1.00 0.00 C ATOM 3 C GLY A 1 13.871 -9.539 -20.164 1.00 0.00 C ATOM 4 O GLY A 1 13.110 -8.869 -19.466 1.00 0.00 O ATOM 0 H1 GLY A 1 17.007 -8.348 -19.895 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.860 -7.997 -21.097 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.558 -7.565 -19.483 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.835 -10.315 -20.510 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.523 -9.870 -18.844 1.00 0.00 H new ATOM 8 N SER A 2 13.456 -10.270 -21.194 1.00 0.00 N ATOM 9 CA SER A 2 12.049 -10.323 -21.574 1.00 0.00 C ATOM 10 C SER A 2 11.187 -10.785 -20.403 1.00 0.00 C ATOM 11 O SER A 2 11.126 -11.974 -20.093 1.00 0.00 O ATOM 12 CB SER A 2 11.856 -11.264 -22.765 1.00 0.00 C ATOM 13 OG SER A 2 12.520 -12.498 -22.553 1.00 0.00 O ATOM 0 H SER A 2 14.073 -10.833 -21.779 1.00 0.00 H new ATOM 0 HA SER A 2 11.737 -9.318 -21.859 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.792 -11.442 -22.923 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.238 -10.793 -23.671 1.00 0.00 H new ATOM 0 HG SER A 2 12.327 -12.822 -21.649 1.00 0.00 H new ATOM 19 N SER A 3 10.522 -9.833 -19.755 1.00 0.00 N ATOM 20 CA SER A 3 9.666 -10.140 -18.615 1.00 0.00 C ATOM 21 C SER A 3 8.561 -11.114 -19.011 1.00 0.00 C ATOM 22 O SER A 3 7.927 -10.960 -20.054 1.00 0.00 O ATOM 23 CB SER A 3 9.052 -8.857 -18.051 1.00 0.00 C ATOM 24 OG SER A 3 8.720 -7.952 -19.090 1.00 0.00 O ATOM 0 H SER A 3 10.560 -8.844 -20.000 1.00 0.00 H new ATOM 0 HA SER A 3 10.281 -10.609 -17.847 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.158 -9.100 -17.476 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.754 -8.385 -17.364 1.00 0.00 H new ATOM 0 HG SER A 3 8.328 -7.141 -18.704 1.00 0.00 H new ATOM 30 N GLY A 4 8.336 -12.119 -18.170 1.00 0.00 N ATOM 31 CA GLY A 4 7.308 -13.104 -18.449 1.00 0.00 C ATOM 32 C GLY A 4 5.925 -12.627 -18.054 1.00 0.00 C ATOM 33 O GLY A 4 5.636 -11.431 -18.100 1.00 0.00 O ATOM 0 H GLY A 4 8.848 -12.268 -17.300 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.317 -13.342 -19.513 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.538 -14.026 -17.914 1.00 0.00 H new ATOM 37 N SER A 5 5.066 -13.564 -17.664 1.00 0.00 N ATOM 38 CA SER A 5 3.704 -13.234 -17.264 1.00 0.00 C ATOM 39 C SER A 5 3.494 -13.502 -15.777 1.00 0.00 C ATOM 40 O SER A 5 3.367 -14.651 -15.354 1.00 0.00 O ATOM 41 CB SER A 5 2.698 -14.041 -18.087 1.00 0.00 C ATOM 42 OG SER A 5 3.165 -15.360 -18.312 1.00 0.00 O ATOM 0 H SER A 5 5.290 -14.558 -17.617 1.00 0.00 H new ATOM 0 HA SER A 5 3.545 -12.172 -17.450 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.741 -14.075 -17.566 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.524 -13.545 -19.042 1.00 0.00 H new ATOM 0 HG SER A 5 3.438 -15.760 -17.460 1.00 0.00 H new ATOM 48 N SER A 6 3.459 -12.433 -14.988 1.00 0.00 N ATOM 49 CA SER A 6 3.268 -12.552 -13.548 1.00 0.00 C ATOM 50 C SER A 6 1.786 -12.663 -13.203 1.00 0.00 C ATOM 51 O SER A 6 1.038 -11.693 -13.308 1.00 0.00 O ATOM 52 CB SER A 6 3.881 -11.348 -12.830 1.00 0.00 C ATOM 53 OG SER A 6 3.560 -10.139 -13.496 1.00 0.00 O ATOM 0 H SER A 6 3.560 -11.475 -15.322 1.00 0.00 H new ATOM 0 HA SER A 6 3.770 -13.460 -13.214 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.517 -11.309 -11.803 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.964 -11.463 -12.780 1.00 0.00 H new ATOM 0 HG SER A 6 2.613 -10.145 -13.747 1.00 0.00 H new ATOM 59 N GLY A 7 1.369 -13.857 -12.790 1.00 0.00 N ATOM 60 CA GLY A 7 -0.021 -14.075 -12.436 1.00 0.00 C ATOM 61 C GLY A 7 -0.394 -13.420 -11.121 1.00 0.00 C ATOM 62 O GLY A 7 -0.376 -14.063 -10.071 1.00 0.00 O ATOM 0 H GLY A 7 1.969 -14.676 -12.695 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.660 -13.683 -13.227 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.213 -15.146 -12.372 1.00 0.00 H new ATOM 66 N LEU A 8 -0.733 -12.136 -11.176 1.00 0.00 N ATOM 67 CA LEU A 8 -1.110 -11.393 -9.979 1.00 0.00 C ATOM 68 C LEU A 8 -2.477 -10.738 -10.154 1.00 0.00 C ATOM 69 O LEU A 8 -3.003 -10.666 -11.263 1.00 0.00 O ATOM 70 CB LEU A 8 -0.058 -10.328 -9.663 1.00 0.00 C ATOM 71 CG LEU A 8 1.317 -10.847 -9.241 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.280 -9.691 -9.022 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.203 -11.695 -7.983 1.00 0.00 C ATOM 0 H LEU A 8 -0.754 -11.589 -12.036 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.167 -12.096 -9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.068 -9.698 -10.544 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.443 -9.690 -8.867 1.00 0.00 H new ATOM 0 HG LEU A 8 1.710 -11.473 -10.042 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.253 -10.080 -8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.385 -9.125 -9.947 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.893 -9.039 -8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.191 -12.056 -7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.789 -11.093 -7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.548 -12.545 -8.175 1.00 0.00 H new ATOM 85 N GLU A 9 -3.043 -10.260 -9.050 1.00 0.00 N ATOM 86 CA GLU A 9 -4.348 -9.609 -9.083 1.00 0.00 C ATOM 87 C GLU A 9 -4.200 -8.091 -9.045 1.00 0.00 C ATOM 88 O GLU A 9 -3.706 -7.529 -8.068 1.00 0.00 O ATOM 89 CB GLU A 9 -5.206 -10.078 -7.906 1.00 0.00 C ATOM 90 CG GLU A 9 -5.382 -11.586 -7.843 1.00 0.00 C ATOM 91 CD GLU A 9 -5.738 -12.188 -9.189 1.00 0.00 C ATOM 92 OE1 GLU A 9 -4.809 -12.545 -9.944 1.00 0.00 O ATOM 93 OE2 GLU A 9 -6.945 -12.301 -9.487 1.00 0.00 O ATOM 0 H GLU A 9 -2.619 -10.311 -8.123 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.840 -9.886 -10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.752 -9.735 -6.977 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.188 -9.609 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.461 -12.041 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.164 -11.827 -7.123 1.00 0.00 H new ATOM 100 N GLN A 10 -4.631 -7.433 -10.117 1.00 0.00 N ATOM 101 CA GLN A 10 -4.546 -5.981 -10.207 1.00 0.00 C ATOM 102 C GLN A 10 -5.691 -5.319 -9.447 1.00 0.00 C ATOM 103 O GLN A 10 -6.853 -5.428 -9.839 1.00 0.00 O ATOM 104 CB GLN A 10 -4.566 -5.538 -11.671 1.00 0.00 C ATOM 105 CG GLN A 10 -3.377 -6.038 -12.475 1.00 0.00 C ATOM 106 CD GLN A 10 -3.676 -6.139 -13.958 1.00 0.00 C ATOM 107 OE1 GLN A 10 -3.580 -7.214 -14.551 1.00 0.00 O ATOM 108 NE2 GLN A 10 -4.040 -5.016 -14.566 1.00 0.00 N ATOM 0 H GLN A 10 -5.042 -7.883 -10.935 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.606 -5.669 -9.753 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.485 -5.894 -12.137 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.589 -4.449 -11.712 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.532 -5.366 -12.324 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.076 -7.017 -12.101 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.107 -4.147 -14.036 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.253 -5.022 -15.563 1.00 0.00 H new ATOM 117 N TYR A 11 -5.355 -4.635 -8.360 1.00 0.00 N ATOM 118 CA TYR A 11 -6.355 -3.958 -7.543 1.00 0.00 C ATOM 119 C TYR A 11 -6.363 -2.458 -7.822 1.00 0.00 C ATOM 120 O TYR A 11 -5.327 -1.866 -8.124 1.00 0.00 O ATOM 121 CB TYR A 11 -6.088 -4.211 -6.058 1.00 0.00 C ATOM 122 CG TYR A 11 -6.732 -5.475 -5.534 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.371 -6.720 -6.032 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.701 -5.422 -4.539 1.00 0.00 C ATOM 125 CE1 TYR A 11 -6.957 -7.877 -5.556 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.292 -6.574 -4.056 1.00 0.00 C ATOM 127 CZ TYR A 11 -7.917 -7.799 -4.568 1.00 0.00 C ATOM 128 OH TYR A 11 -8.502 -8.949 -4.090 1.00 0.00 O ATOM 0 H TYR A 11 -4.397 -4.534 -8.024 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.333 -4.362 -7.803 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.012 -4.267 -5.895 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.454 -3.361 -5.482 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.619 -6.785 -6.805 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.997 -4.464 -4.137 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.665 -8.837 -5.955 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.043 -6.516 -3.282 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.156 -8.720 -3.397 1.00 0.00 H new ATOM 138 N VAL A 12 -7.540 -1.849 -7.717 1.00 0.00 N ATOM 139 CA VAL A 12 -7.684 -0.418 -7.956 1.00 0.00 C ATOM 140 C VAL A 12 -7.768 0.352 -6.643 1.00 0.00 C ATOM 141 O VAL A 12 -8.408 -0.092 -5.690 1.00 0.00 O ATOM 142 CB VAL A 12 -8.936 -0.113 -8.799 1.00 0.00 C ATOM 143 CG1 VAL A 12 -10.197 -0.503 -8.043 1.00 0.00 C ATOM 144 CG2 VAL A 12 -8.971 1.357 -9.188 1.00 0.00 C ATOM 0 H VAL A 12 -8.407 -2.324 -7.468 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.799 -0.098 -8.506 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.891 -0.706 -9.712 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.071 -0.280 -8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.172 -1.570 -7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.252 0.061 -7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.862 1.555 -9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.992 1.971 -8.288 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.083 1.600 -9.772 1.00 0.00 H new ATOM 154 N VAL A 13 -7.117 1.510 -6.600 1.00 0.00 N ATOM 155 CA VAL A 13 -7.119 2.345 -5.404 1.00 0.00 C ATOM 156 C VAL A 13 -8.464 3.040 -5.222 1.00 0.00 C ATOM 157 O VAL A 13 -9.146 3.361 -6.195 1.00 0.00 O ATOM 158 CB VAL A 13 -6.007 3.409 -5.460 1.00 0.00 C ATOM 159 CG1 VAL A 13 -5.904 4.144 -4.133 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.677 2.769 -5.829 1.00 0.00 C ATOM 0 H VAL A 13 -6.581 1.892 -7.380 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.937 1.685 -4.556 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.261 4.136 -6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.113 4.892 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.852 4.635 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.673 3.433 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.902 3.535 -5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.414 2.020 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.761 2.293 -6.806 1.00 0.00 H new ATOM 170 N VAL A 14 -8.839 3.271 -3.968 1.00 0.00 N ATOM 171 CA VAL A 14 -10.102 3.930 -3.657 1.00 0.00 C ATOM 172 C VAL A 14 -9.868 5.263 -2.955 1.00 0.00 C ATOM 173 O VAL A 14 -10.702 6.166 -3.021 1.00 0.00 O ATOM 174 CB VAL A 14 -10.994 3.044 -2.767 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.433 1.799 -3.523 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.263 2.670 -1.486 1.00 0.00 C ATOM 0 H VAL A 14 -8.286 3.012 -3.151 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.609 4.106 -4.606 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.886 3.610 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.062 1.185 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.997 2.091 -4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.555 1.227 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.907 2.044 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.354 2.122 -1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.004 3.576 -0.937 1.00 0.00 H new ATOM 186 N SER A 15 -8.726 5.380 -2.285 1.00 0.00 N ATOM 187 CA SER A 15 -8.383 6.602 -1.568 1.00 0.00 C ATOM 188 C SER A 15 -6.929 6.991 -1.821 1.00 0.00 C ATOM 189 O SER A 15 -6.072 6.132 -2.020 1.00 0.00 O ATOM 190 CB SER A 15 -8.620 6.422 -0.067 1.00 0.00 C ATOM 191 OG SER A 15 -8.007 7.462 0.675 1.00 0.00 O ATOM 0 H SER A 15 -8.023 4.644 -2.224 1.00 0.00 H new ATOM 0 HA SER A 15 -9.025 7.402 -1.937 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.691 6.409 0.136 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.223 5.459 0.254 1.00 0.00 H new ATOM 0 HG SER A 15 -7.569 7.085 1.466 1.00 0.00 H new ATOM 197 N ASN A 16 -6.661 8.293 -1.812 1.00 0.00 N ATOM 198 CA ASN A 16 -5.312 8.796 -2.041 1.00 0.00 C ATOM 199 C ASN A 16 -4.432 8.574 -0.814 1.00 0.00 C ATOM 200 O ASN A 16 -4.545 9.289 0.181 1.00 0.00 O ATOM 201 CB ASN A 16 -5.353 10.286 -2.389 1.00 0.00 C ATOM 202 CG ASN A 16 -3.994 10.946 -2.268 1.00 0.00 C ATOM 203 OD1 ASN A 16 -3.066 10.624 -3.011 1.00 0.00 O ATOM 204 ND2 ASN A 16 -3.869 11.875 -1.327 1.00 0.00 N ATOM 0 H ASN A 16 -7.360 9.018 -1.649 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.884 8.245 -2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.724 10.408 -3.407 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.059 10.791 -1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.977 12.353 -1.198 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.665 12.110 -0.734 1.00 0.00 H new ATOM 211 N TYR A 17 -3.557 7.578 -0.894 1.00 0.00 N ATOM 212 CA TYR A 17 -2.659 7.260 0.210 1.00 0.00 C ATOM 213 C TYR A 17 -1.491 8.241 0.263 1.00 0.00 C ATOM 214 O TYR A 17 -1.048 8.754 -0.765 1.00 0.00 O ATOM 215 CB TYR A 17 -2.132 5.831 0.071 1.00 0.00 C ATOM 216 CG TYR A 17 -1.506 5.290 1.336 1.00 0.00 C ATOM 217 CD1 TYR A 17 -0.155 5.477 1.602 1.00 0.00 C ATOM 218 CD2 TYR A 17 -2.266 4.593 2.268 1.00 0.00 C ATOM 219 CE1 TYR A 17 0.421 4.985 2.756 1.00 0.00 C ATOM 220 CE2 TYR A 17 -1.698 4.097 3.426 1.00 0.00 C ATOM 221 CZ TYR A 17 -0.354 4.296 3.665 1.00 0.00 C ATOM 222 OH TYR A 17 0.216 3.804 4.817 1.00 0.00 O ATOM 0 H TYR A 17 -3.450 6.977 -1.711 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.223 7.344 1.139 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.952 5.178 -0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.394 5.801 -0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.455 6.017 0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.319 4.436 2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.473 5.139 2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.303 3.557 4.140 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.151 2.916 5.010 1.00 0.00 H new ATOM 232 N LYS A 18 -0.997 8.497 1.469 1.00 0.00 N ATOM 233 CA LYS A 18 0.121 9.414 1.660 1.00 0.00 C ATOM 234 C LYS A 18 1.192 8.790 2.548 1.00 0.00 C ATOM 235 O LYS A 18 0.912 8.358 3.666 1.00 0.00 O ATOM 236 CB LYS A 18 -0.369 10.726 2.279 1.00 0.00 C ATOM 237 CG LYS A 18 0.733 11.750 2.484 1.00 0.00 C ATOM 238 CD LYS A 18 0.165 13.132 2.760 1.00 0.00 C ATOM 239 CE LYS A 18 -0.218 13.296 4.222 1.00 0.00 C ATOM 240 NZ LYS A 18 0.971 13.538 5.084 1.00 0.00 N ATOM 0 H LYS A 18 -1.353 8.082 2.330 1.00 0.00 H new ATOM 0 HA LYS A 18 0.559 9.621 0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.138 11.156 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.838 10.512 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.366 11.443 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.367 11.786 1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.900 13.889 2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.711 13.298 2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.915 14.128 4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.738 12.401 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.795 13.155 6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.801 13.068 4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.149 14.560 5.151 1.00 0.00 H new ATOM 254 N LYS A 19 2.420 8.746 2.043 1.00 0.00 N ATOM 255 CA LYS A 19 3.535 8.177 2.791 1.00 0.00 C ATOM 256 C LYS A 19 3.786 8.962 4.075 1.00 0.00 C ATOM 257 O LYS A 19 3.493 10.155 4.150 1.00 0.00 O ATOM 258 CB LYS A 19 4.801 8.168 1.931 1.00 0.00 C ATOM 259 CG LYS A 19 5.140 9.522 1.333 1.00 0.00 C ATOM 260 CD LYS A 19 6.641 9.760 1.306 1.00 0.00 C ATOM 261 CE LYS A 19 7.022 11.004 2.093 1.00 0.00 C ATOM 262 NZ LYS A 19 7.476 10.671 3.472 1.00 0.00 N ATOM 0 H LYS A 19 2.669 9.098 1.118 1.00 0.00 H new ATOM 0 HA LYS A 19 3.276 7.152 3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.640 7.828 2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.677 7.445 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.743 9.583 0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.656 10.308 1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.155 8.894 1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.975 9.864 0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.815 11.537 1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.166 11.677 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.727 11.546 3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.711 10.185 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.308 10.049 3.423 1.00 0.00 H new ATOM 276 N GLN A 20 4.331 8.284 5.080 1.00 0.00 N ATOM 277 CA GLN A 20 4.621 8.919 6.360 1.00 0.00 C ATOM 278 C GLN A 20 6.118 8.896 6.652 1.00 0.00 C ATOM 279 O GLN A 20 6.746 9.942 6.808 1.00 0.00 O ATOM 280 CB GLN A 20 3.858 8.219 7.486 1.00 0.00 C ATOM 281 CG GLN A 20 4.212 8.733 8.872 1.00 0.00 C ATOM 282 CD GLN A 20 3.524 7.955 9.976 1.00 0.00 C ATOM 283 OE1 GLN A 20 3.865 6.803 10.245 1.00 0.00 O ATOM 284 NE2 GLN A 20 2.548 8.582 10.623 1.00 0.00 N ATOM 0 H GLN A 20 4.580 7.296 5.033 1.00 0.00 H new ATOM 0 HA GLN A 20 4.296 9.958 6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.788 8.347 7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.062 7.149 7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.292 8.677 9.011 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.935 9.785 8.947 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.298 9.537 10.367 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.049 8.108 11.376 1.00 0.00 H new ATOM 293 N GLU A 21 6.683 7.694 6.726 1.00 0.00 N ATOM 294 CA GLU A 21 8.106 7.535 7.001 1.00 0.00 C ATOM 295 C GLU A 21 8.838 6.987 5.779 1.00 0.00 C ATOM 296 O GLU A 21 9.573 7.709 5.107 1.00 0.00 O ATOM 297 CB GLU A 21 8.316 6.604 8.196 1.00 0.00 C ATOM 298 CG GLU A 21 8.277 7.316 9.537 1.00 0.00 C ATOM 299 CD GLU A 21 8.419 6.363 10.708 1.00 0.00 C ATOM 300 OE1 GLU A 21 9.554 5.919 10.976 1.00 0.00 O ATOM 301 OE2 GLU A 21 7.395 6.062 11.357 1.00 0.00 O ATOM 0 H GLU A 21 6.177 6.817 6.599 1.00 0.00 H new ATOM 0 HA GLU A 21 8.516 8.516 7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.548 5.831 8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.277 6.101 8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.078 8.055 9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.337 7.860 9.628 1.00 0.00 H new ATOM 308 N ASN A 22 8.631 5.704 5.499 1.00 0.00 N ATOM 309 CA ASN A 22 9.272 5.058 4.360 1.00 0.00 C ATOM 310 C ASN A 22 8.624 3.708 4.065 1.00 0.00 C ATOM 311 O ASN A 22 7.785 3.231 4.829 1.00 0.00 O ATOM 312 CB ASN A 22 10.767 4.871 4.627 1.00 0.00 C ATOM 313 CG ASN A 22 11.584 4.847 3.350 1.00 0.00 C ATOM 314 OD1 ASN A 22 11.667 5.845 2.633 1.00 0.00 O ATOM 315 ND2 ASN A 22 12.192 3.703 3.058 1.00 0.00 N ATOM 0 H ASN A 22 8.025 5.092 6.045 1.00 0.00 H new ATOM 0 HA ASN A 22 9.143 5.701 3.490 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.123 5.678 5.267 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.922 3.940 5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.755 3.626 2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.096 2.901 3.681 1.00 0.00 H new ATOM 322 N SER A 23 9.021 3.097 2.953 1.00 0.00 N ATOM 323 CA SER A 23 8.478 1.804 2.556 1.00 0.00 C ATOM 324 C SER A 23 6.975 1.898 2.312 1.00 0.00 C ATOM 325 O SER A 23 6.250 0.913 2.451 1.00 0.00 O ATOM 326 CB SER A 23 8.767 0.754 3.630 1.00 0.00 C ATOM 327 OG SER A 23 10.036 0.967 4.224 1.00 0.00 O ATOM 0 H SER A 23 9.717 3.477 2.311 1.00 0.00 H new ATOM 0 HA SER A 23 8.962 1.505 1.626 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.993 0.791 4.396 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.731 -0.242 3.188 1.00 0.00 H new ATOM 0 HG SER A 23 10.196 0.284 4.908 1.00 0.00 H new ATOM 333 N GLU A 24 6.515 3.090 1.946 1.00 0.00 N ATOM 334 CA GLU A 24 5.098 3.314 1.683 1.00 0.00 C ATOM 335 C GLU A 24 4.902 4.096 0.388 1.00 0.00 C ATOM 336 O GLU A 24 5.562 5.109 0.155 1.00 0.00 O ATOM 337 CB GLU A 24 4.452 4.066 2.849 1.00 0.00 C ATOM 338 CG GLU A 24 4.090 3.173 4.023 1.00 0.00 C ATOM 339 CD GLU A 24 3.192 3.867 5.029 1.00 0.00 C ATOM 340 OE1 GLU A 24 3.122 5.113 5.002 1.00 0.00 O ATOM 341 OE2 GLU A 24 2.558 3.162 5.843 1.00 0.00 O ATOM 0 H GLU A 24 7.102 3.915 1.825 1.00 0.00 H new ATOM 0 HA GLU A 24 4.617 2.342 1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.135 4.843 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.552 4.567 2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.591 2.277 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.003 2.846 4.521 1.00 0.00 H new ATOM 348 N LEU A 25 3.990 3.619 -0.453 1.00 0.00 N ATOM 349 CA LEU A 25 3.707 4.272 -1.726 1.00 0.00 C ATOM 350 C LEU A 25 2.549 5.256 -1.587 1.00 0.00 C ATOM 351 O LEU A 25 1.494 4.917 -1.050 1.00 0.00 O ATOM 352 CB LEU A 25 3.379 3.229 -2.795 1.00 0.00 C ATOM 353 CG LEU A 25 4.575 2.521 -3.432 1.00 0.00 C ATOM 354 CD1 LEU A 25 4.107 1.485 -4.441 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.502 3.531 -4.092 1.00 0.00 C ATOM 0 H LEU A 25 3.434 2.782 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 25 4.596 4.825 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.730 2.474 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.807 3.716 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 25 5.130 2.007 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.972 0.992 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.484 0.744 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.529 1.975 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.348 3.010 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.958 4.073 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.865 4.235 -3.343 1.00 0.00 H new ATOM 367 N SER A 26 2.753 6.475 -2.076 1.00 0.00 N ATOM 368 CA SER A 26 1.727 7.508 -2.005 1.00 0.00 C ATOM 369 C SER A 26 0.741 7.375 -3.161 1.00 0.00 C ATOM 370 O SER A 26 0.607 8.281 -3.986 1.00 0.00 O ATOM 371 CB SER A 26 2.370 8.897 -2.024 1.00 0.00 C ATOM 372 OG SER A 26 2.996 9.151 -3.270 1.00 0.00 O ATOM 0 H SER A 26 3.619 6.771 -2.526 1.00 0.00 H new ATOM 0 HA SER A 26 1.182 7.381 -1.070 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.611 9.656 -1.833 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.104 8.972 -1.222 1.00 0.00 H new ATOM 0 HG SER A 26 2.343 9.041 -3.993 1.00 0.00 H new ATOM 378 N LEU A 27 0.052 6.241 -3.215 1.00 0.00 N ATOM 379 CA LEU A 27 -0.922 5.987 -4.271 1.00 0.00 C ATOM 380 C LEU A 27 -1.996 7.071 -4.292 1.00 0.00 C ATOM 381 O LEU A 27 -2.138 7.835 -3.338 1.00 0.00 O ATOM 382 CB LEU A 27 -1.570 4.615 -4.075 1.00 0.00 C ATOM 383 CG LEU A 27 -0.617 3.462 -3.760 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.383 2.152 -3.647 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.465 3.359 -4.824 1.00 0.00 C ATOM 0 H LEU A 27 0.149 5.482 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.398 6.001 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.297 4.691 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.125 4.365 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.138 3.663 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.688 1.343 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.120 2.229 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.890 1.944 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.134 2.533 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.004 3.182 -5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.033 4.289 -4.856 1.00 0.00 H new ATOM 397 N GLN A 28 -2.750 7.128 -5.385 1.00 0.00 N ATOM 398 CA GLN A 28 -3.811 8.117 -5.530 1.00 0.00 C ATOM 399 C GLN A 28 -5.138 7.446 -5.868 1.00 0.00 C ATOM 400 O GLN A 28 -5.170 6.296 -6.304 1.00 0.00 O ATOM 401 CB GLN A 28 -3.448 9.132 -6.615 1.00 0.00 C ATOM 402 CG GLN A 28 -2.232 9.978 -6.275 1.00 0.00 C ATOM 403 CD GLN A 28 -1.766 10.826 -7.441 1.00 0.00 C ATOM 404 OE1 GLN A 28 -2.565 11.501 -8.091 1.00 0.00 O ATOM 405 NE2 GLN A 28 -0.467 10.796 -7.714 1.00 0.00 N ATOM 0 H GLN A 28 -2.646 6.501 -6.183 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.920 8.637 -4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.262 8.602 -7.549 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.301 9.789 -6.786 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.470 10.626 -5.432 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.418 9.326 -5.957 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.160 10.223 -7.149 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.096 11.346 -8.488 1.00 0.00 H new ATOM 414 N ALA A 29 -6.232 8.172 -5.663 1.00 0.00 N ATOM 415 CA ALA A 29 -7.562 7.647 -5.948 1.00 0.00 C ATOM 416 C ALA A 29 -7.753 7.419 -7.443 1.00 0.00 C ATOM 417 O ALA A 29 -7.663 8.352 -8.240 1.00 0.00 O ATOM 418 CB ALA A 29 -8.628 8.594 -5.416 1.00 0.00 C ATOM 0 H ALA A 29 -6.224 9.125 -5.301 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.662 6.685 -5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.616 8.190 -5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.512 8.703 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.520 9.568 -5.893 1.00 0.00 H new ATOM 424 N GLY A 30 -8.017 6.170 -7.817 1.00 0.00 N ATOM 425 CA GLY A 30 -8.216 5.842 -9.217 1.00 0.00 C ATOM 426 C GLY A 30 -7.042 5.087 -9.808 1.00 0.00 C ATOM 427 O GLY A 30 -7.182 4.403 -10.821 1.00 0.00 O ATOM 0 H GLY A 30 -8.096 5.381 -7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.120 5.242 -9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.376 6.760 -9.783 1.00 0.00 H new ATOM 431 N GLU A 31 -5.880 5.212 -9.174 1.00 0.00 N ATOM 432 CA GLU A 31 -4.676 4.537 -9.645 1.00 0.00 C ATOM 433 C GLU A 31 -4.822 3.023 -9.533 1.00 0.00 C ATOM 434 O GLU A 31 -5.610 2.522 -8.730 1.00 0.00 O ATOM 435 CB GLU A 31 -3.457 5.004 -8.847 1.00 0.00 C ATOM 436 CG GLU A 31 -2.158 4.951 -9.634 1.00 0.00 C ATOM 437 CD GLU A 31 -2.183 5.841 -10.862 1.00 0.00 C ATOM 438 OE1 GLU A 31 -2.253 7.077 -10.696 1.00 0.00 O ATOM 439 OE2 GLU A 31 -2.133 5.302 -11.987 1.00 0.00 O ATOM 0 H GLU A 31 -5.747 5.774 -8.333 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.534 4.794 -10.695 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.625 6.026 -8.508 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.358 4.385 -7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.334 5.253 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.964 3.923 -9.939 1.00 0.00 H new ATOM 446 N VAL A 32 -4.058 2.298 -10.343 1.00 0.00 N ATOM 447 CA VAL A 32 -4.100 0.841 -10.335 1.00 0.00 C ATOM 448 C VAL A 32 -2.750 0.254 -9.941 1.00 0.00 C ATOM 449 O VAL A 32 -1.700 0.784 -10.304 1.00 0.00 O ATOM 450 CB VAL A 32 -4.508 0.284 -11.712 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.612 -1.233 -11.665 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.821 0.902 -12.169 1.00 0.00 C ATOM 0 H VAL A 32 -3.401 2.697 -11.014 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.848 0.550 -9.597 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.737 0.550 -12.435 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.901 -1.608 -12.647 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.647 -1.655 -11.385 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.362 -1.524 -10.930 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.094 0.497 -13.143 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.604 0.669 -11.447 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.707 1.983 -12.244 1.00 0.00 H new ATOM 462 N VAL A 33 -2.784 -0.847 -9.196 1.00 0.00 N ATOM 463 CA VAL A 33 -1.562 -1.508 -8.753 1.00 0.00 C ATOM 464 C VAL A 33 -1.651 -3.017 -8.954 1.00 0.00 C ATOM 465 O VAL A 33 -2.636 -3.525 -9.489 1.00 0.00 O ATOM 466 CB VAL A 33 -1.271 -1.215 -7.270 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.196 0.285 -7.027 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.328 -1.855 -6.383 1.00 0.00 C ATOM 0 H VAL A 33 -3.644 -1.300 -8.887 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.749 -1.110 -9.360 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.304 -1.649 -7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.990 0.473 -5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.399 0.713 -7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.146 0.746 -7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.106 -1.638 -5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.309 -1.453 -6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.328 -2.934 -6.537 1.00 0.00 H new ATOM 478 N ASP A 34 -0.615 -3.727 -8.520 1.00 0.00 N ATOM 479 CA ASP A 34 -0.576 -5.179 -8.650 1.00 0.00 C ATOM 480 C ASP A 34 -0.201 -5.834 -7.324 1.00 0.00 C ATOM 481 O ASP A 34 0.947 -5.761 -6.887 1.00 0.00 O ATOM 482 CB ASP A 34 0.421 -5.589 -9.735 1.00 0.00 C ATOM 483 CG ASP A 34 -0.153 -5.450 -11.131 1.00 0.00 C ATOM 484 OD1 ASP A 34 -0.349 -4.302 -11.580 1.00 0.00 O ATOM 485 OD2 ASP A 34 -0.407 -6.490 -11.775 1.00 0.00 O ATOM 0 H ASP A 34 0.208 -3.321 -8.075 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.571 -5.520 -8.934 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.318 -4.975 -9.651 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.726 -6.623 -9.572 1.00 0.00 H new ATOM 490 N VAL A 35 -1.179 -6.472 -6.688 1.00 0.00 N ATOM 491 CA VAL A 35 -0.952 -7.140 -5.412 1.00 0.00 C ATOM 492 C VAL A 35 -0.012 -8.330 -5.574 1.00 0.00 C ATOM 493 O VAL A 35 -0.302 -9.266 -6.319 1.00 0.00 O ATOM 494 CB VAL A 35 -2.274 -7.625 -4.790 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.038 -8.166 -3.387 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.298 -6.500 -4.770 1.00 0.00 C ATOM 0 H VAL A 35 -2.136 -6.540 -7.036 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.494 -6.407 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.668 -8.434 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.984 -8.504 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.341 -9.003 -3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.620 -7.379 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.226 -6.861 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.913 -5.668 -4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.489 -6.164 -5.789 1.00 0.00 H new ATOM 506 N ILE A 36 1.114 -8.287 -4.870 1.00 0.00 N ATOM 507 CA ILE A 36 2.096 -9.362 -4.934 1.00 0.00 C ATOM 508 C ILE A 36 1.977 -10.288 -3.728 1.00 0.00 C ATOM 509 O ILE A 36 1.686 -11.474 -3.871 1.00 0.00 O ATOM 510 CB ILE A 36 3.532 -8.810 -5.004 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.692 -7.898 -6.222 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.536 -9.952 -5.055 1.00 0.00 C ATOM 513 CD1 ILE A 36 5.014 -7.164 -6.258 1.00 0.00 C ATOM 0 H ILE A 36 1.369 -7.519 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 36 1.888 -9.925 -5.844 1.00 0.00 H new ATOM 0 HB ILE A 36 3.724 -8.223 -4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.592 -8.495 -7.128 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.881 -7.170 -6.229 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.546 -9.546 -5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.435 -10.566 -4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.347 -10.563 -5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.058 -6.537 -7.148 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.108 -6.540 -5.369 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.830 -7.886 -6.282 1.00 0.00 H new ATOM 525 N GLU A 37 2.204 -9.735 -2.540 1.00 0.00 N ATOM 526 CA GLU A 37 2.121 -10.511 -1.309 1.00 0.00 C ATOM 527 C GLU A 37 0.971 -10.022 -0.433 1.00 0.00 C ATOM 528 O GLU A 37 0.543 -8.872 -0.536 1.00 0.00 O ATOM 529 CB GLU A 37 3.438 -10.424 -0.535 1.00 0.00 C ATOM 530 CG GLU A 37 4.467 -11.455 -0.968 1.00 0.00 C ATOM 531 CD GLU A 37 5.888 -11.027 -0.655 1.00 0.00 C ATOM 532 OE1 GLU A 37 6.206 -10.854 0.540 1.00 0.00 O ATOM 533 OE2 GLU A 37 6.682 -10.865 -1.605 1.00 0.00 O ATOM 0 H GLU A 37 2.447 -8.754 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 37 1.933 -11.551 -1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.859 -9.427 -0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.234 -10.551 0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.259 -12.402 -0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.372 -11.630 -2.040 1.00 0.00 H new ATOM 540 N LYS A 38 0.474 -10.903 0.428 1.00 0.00 N ATOM 541 CA LYS A 38 -0.626 -10.563 1.323 1.00 0.00 C ATOM 542 C LYS A 38 -0.354 -11.070 2.735 1.00 0.00 C ATOM 543 O LYS A 38 -0.185 -12.269 2.953 1.00 0.00 O ATOM 544 CB LYS A 38 -1.937 -11.155 0.800 1.00 0.00 C ATOM 545 CG LYS A 38 -2.475 -10.448 -0.432 1.00 0.00 C ATOM 546 CD LYS A 38 -3.925 -10.817 -0.698 1.00 0.00 C ATOM 547 CE LYS A 38 -4.397 -10.287 -2.043 1.00 0.00 C ATOM 548 NZ LYS A 38 -3.887 -11.111 -3.174 1.00 0.00 N ATOM 0 H LYS A 38 0.816 -11.859 0.525 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.713 -9.477 1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.782 -12.208 0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.687 -11.111 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.392 -9.369 -0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.867 -10.710 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.036 -11.901 -0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.555 -10.414 0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.487 -10.274 -2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.063 -9.257 -2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.272 -10.748 -4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.848 -11.062 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.184 -12.099 -3.045 1.00 0.00 H new ATOM 562 N ASN A 39 -0.316 -10.149 3.692 1.00 0.00 N ATOM 563 CA ASN A 39 -0.066 -10.503 5.085 1.00 0.00 C ATOM 564 C ASN A 39 -1.370 -10.833 5.805 1.00 0.00 C ATOM 565 O ASN A 39 -2.457 -10.626 5.266 1.00 0.00 O ATOM 566 CB ASN A 39 0.651 -9.359 5.803 1.00 0.00 C ATOM 567 CG ASN A 39 1.432 -9.835 7.013 1.00 0.00 C ATOM 568 OD1 ASN A 39 1.464 -11.028 7.315 1.00 0.00 O ATOM 569 ND2 ASN A 39 2.067 -8.901 7.712 1.00 0.00 N ATOM 0 H ASN A 39 -0.455 -9.152 3.529 1.00 0.00 H new ATOM 0 HA ASN A 39 0.570 -11.388 5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.330 -8.866 5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.081 -8.615 6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.609 -9.161 8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.013 -7.924 7.425 1.00 0.00 H new ATOM 576 N GLU A 40 -1.253 -11.346 7.026 1.00 0.00 N ATOM 577 CA GLU A 40 -2.423 -11.704 7.819 1.00 0.00 C ATOM 578 C GLU A 40 -2.793 -10.578 8.780 1.00 0.00 C ATOM 579 O GLU A 40 -3.394 -10.815 9.828 1.00 0.00 O ATOM 580 CB GLU A 40 -2.161 -12.992 8.602 1.00 0.00 C ATOM 581 CG GLU A 40 -1.012 -12.881 9.591 1.00 0.00 C ATOM 582 CD GLU A 40 -0.824 -14.143 10.410 1.00 0.00 C ATOM 583 OE1 GLU A 40 -1.756 -14.512 11.154 1.00 0.00 O ATOM 584 OE2 GLU A 40 0.257 -14.760 10.307 1.00 0.00 O ATOM 0 H GLU A 40 -0.360 -11.523 7.487 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.258 -11.866 7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.067 -13.270 9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.948 -13.797 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.091 -12.663 9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.194 -12.041 10.261 1.00 0.00 H new ATOM 591 N SER A 41 -2.430 -9.353 8.415 1.00 0.00 N ATOM 592 CA SER A 41 -2.720 -8.190 9.246 1.00 0.00 C ATOM 593 C SER A 41 -3.655 -7.225 8.524 1.00 0.00 C ATOM 594 O SER A 41 -4.408 -6.483 9.153 1.00 0.00 O ATOM 595 CB SER A 41 -1.423 -7.472 9.627 1.00 0.00 C ATOM 596 OG SER A 41 -1.620 -6.071 9.706 1.00 0.00 O ATOM 0 H SER A 41 -1.934 -9.140 7.549 1.00 0.00 H new ATOM 0 HA SER A 41 -3.215 -8.538 10.153 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.064 -7.847 10.586 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.651 -7.693 8.890 1.00 0.00 H new ATOM 0 HG SER A 41 -0.777 -5.636 9.952 1.00 0.00 H new ATOM 602 N GLY A 42 -3.601 -7.242 7.195 1.00 0.00 N ATOM 603 CA GLY A 42 -4.447 -6.365 6.407 1.00 0.00 C ATOM 604 C GLY A 42 -3.659 -5.547 5.403 1.00 0.00 C ATOM 605 O GLY A 42 -4.221 -5.024 4.441 1.00 0.00 O ATOM 0 H GLY A 42 -2.987 -7.847 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.192 -6.961 5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.989 -5.693 7.073 1.00 0.00 H new ATOM 609 N TRP A 43 -2.355 -5.435 5.627 1.00 0.00 N ATOM 610 CA TRP A 43 -1.488 -4.673 4.735 1.00 0.00 C ATOM 611 C TRP A 43 -0.901 -5.570 3.650 1.00 0.00 C ATOM 612 O TRP A 43 -0.173 -6.518 3.943 1.00 0.00 O ATOM 613 CB TRP A 43 -0.363 -4.008 5.528 1.00 0.00 C ATOM 614 CG TRP A 43 -0.852 -2.990 6.513 1.00 0.00 C ATOM 615 CD1 TRP A 43 -1.652 -3.216 7.597 1.00 0.00 C ATOM 616 CD2 TRP A 43 -0.576 -1.585 6.503 1.00 0.00 C ATOM 617 NE1 TRP A 43 -1.889 -2.037 8.261 1.00 0.00 N ATOM 618 CE2 TRP A 43 -1.239 -1.022 7.611 1.00 0.00 C ATOM 619 CE3 TRP A 43 0.169 -0.749 5.667 1.00 0.00 C ATOM 620 CZ2 TRP A 43 -1.179 0.339 7.901 1.00 0.00 C ATOM 621 CZ3 TRP A 43 0.227 0.601 5.956 1.00 0.00 C ATOM 622 CH2 TRP A 43 -0.443 1.134 7.066 1.00 0.00 C ATOM 0 H TRP A 43 -1.874 -5.862 6.419 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.090 -3.901 4.256 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.200 -4.775 6.059 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.327 -3.529 4.834 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -2.041 -4.180 7.889 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.457 -1.934 9.102 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.690 -1.151 4.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.695 0.752 8.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.798 1.257 5.316 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.377 2.193 7.266 1.00 0.00 H new ATOM 633 N TRP A 44 -1.221 -5.264 2.398 1.00 0.00 N ATOM 634 CA TRP A 44 -0.724 -6.043 1.270 1.00 0.00 C ATOM 635 C TRP A 44 0.446 -5.336 0.594 1.00 0.00 C ATOM 636 O TRP A 44 0.662 -4.141 0.796 1.00 0.00 O ATOM 637 CB TRP A 44 -1.844 -6.284 0.257 1.00 0.00 C ATOM 638 CG TRP A 44 -3.041 -6.968 0.847 1.00 0.00 C ATOM 639 CD1 TRP A 44 -3.077 -7.715 1.990 1.00 0.00 C ATOM 640 CD2 TRP A 44 -4.373 -6.968 0.322 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.352 -8.180 2.207 1.00 0.00 N ATOM 642 CE2 TRP A 44 -5.166 -7.735 1.199 1.00 0.00 C ATOM 643 CE3 TRP A 44 -4.974 -6.393 -0.801 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -6.526 -7.941 0.984 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -6.323 -6.599 -1.013 1.00 0.00 C ATOM 646 CH2 TRP A 44 -7.088 -7.367 -0.124 1.00 0.00 C ATOM 0 H TRP A 44 -1.822 -4.482 2.138 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.374 -7.003 1.649 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.153 -5.328 -0.167 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.458 -6.887 -0.564 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.229 -7.911 2.629 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.645 -8.762 2.992 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.394 -5.798 -1.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.117 -8.533 1.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.797 -6.161 -1.879 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.141 -7.508 -0.317 1.00 0.00 H new ATOM 657 N PHE A 45 1.197 -6.081 -0.210 1.00 0.00 N ATOM 658 CA PHE A 45 2.346 -5.525 -0.916 1.00 0.00 C ATOM 659 C PHE A 45 2.057 -5.398 -2.409 1.00 0.00 C ATOM 660 O PHE A 45 2.137 -6.374 -3.154 1.00 0.00 O ATOM 661 CB PHE A 45 3.579 -6.403 -0.697 1.00 0.00 C ATOM 662 CG PHE A 45 4.836 -5.828 -1.285 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.171 -4.501 -1.074 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.682 -6.616 -2.049 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.327 -3.969 -1.613 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.840 -6.089 -2.591 1.00 0.00 C ATOM 667 CZ PHE A 45 7.162 -4.764 -2.374 1.00 0.00 C ATOM 0 H PHE A 45 1.031 -7.071 -0.389 1.00 0.00 H new ATOM 0 HA PHE A 45 2.541 -4.530 -0.515 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.723 -6.553 0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.399 -7.385 -1.135 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.521 -3.874 -0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.434 -7.653 -2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.577 -2.933 -1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.492 -6.713 -3.184 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.065 -4.350 -2.798 1.00 0.00 H new ATOM 677 N VAL A 46 1.720 -4.186 -2.839 1.00 0.00 N ATOM 678 CA VAL A 46 1.420 -3.928 -4.242 1.00 0.00 C ATOM 679 C VAL A 46 2.620 -3.320 -4.959 1.00 0.00 C ATOM 680 O VAL A 46 3.464 -2.672 -4.338 1.00 0.00 O ATOM 681 CB VAL A 46 0.213 -2.984 -4.394 1.00 0.00 C ATOM 682 CG1 VAL A 46 -1.013 -3.570 -3.710 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.540 -1.608 -3.833 1.00 0.00 C ATOM 0 H VAL A 46 1.648 -3.367 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 46 1.179 -4.890 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.010 -2.875 -5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.856 -2.889 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.257 -4.531 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.806 -3.710 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.324 -0.953 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.790 -1.696 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.389 -1.187 -4.372 1.00 0.00 H new ATOM 693 N SER A 47 2.691 -3.533 -6.269 1.00 0.00 N ATOM 694 CA SER A 47 3.790 -3.008 -7.070 1.00 0.00 C ATOM 695 C SER A 47 3.263 -2.224 -8.268 1.00 0.00 C ATOM 696 O SER A 47 2.405 -2.703 -9.010 1.00 0.00 O ATOM 697 CB SER A 47 4.690 -4.149 -7.549 1.00 0.00 C ATOM 698 OG SER A 47 5.432 -3.768 -8.695 1.00 0.00 O ATOM 0 H SER A 47 2.000 -4.066 -6.798 1.00 0.00 H new ATOM 0 HA SER A 47 4.373 -2.333 -6.444 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.373 -4.438 -6.750 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.082 -5.023 -7.780 1.00 0.00 H new ATOM 0 HG SER A 47 5.744 -4.570 -9.164 1.00 0.00 H new ATOM 704 N THR A 48 3.784 -1.015 -8.451 1.00 0.00 N ATOM 705 CA THR A 48 3.366 -0.163 -9.558 1.00 0.00 C ATOM 706 C THR A 48 4.493 0.018 -10.568 1.00 0.00 C ATOM 707 O THR A 48 5.650 -0.290 -10.284 1.00 0.00 O ATOM 708 CB THR A 48 2.912 1.222 -9.059 1.00 0.00 C ATOM 709 OG1 THR A 48 4.045 1.984 -8.629 1.00 0.00 O ATOM 710 CG2 THR A 48 1.921 1.087 -7.913 1.00 0.00 C ATOM 0 H THR A 48 4.496 -0.604 -7.847 1.00 0.00 H new ATOM 0 HA THR A 48 2.525 -0.661 -10.041 1.00 0.00 H new ATOM 0 HB THR A 48 2.420 1.737 -9.884 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.603 1.435 -8.039 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.615 2.078 -7.578 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.046 0.533 -8.252 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.391 0.554 -7.087 1.00 0.00 H new ATOM 718 N SER A 49 4.148 0.521 -11.749 1.00 0.00 N ATOM 719 CA SER A 49 5.131 0.740 -12.804 1.00 0.00 C ATOM 720 C SER A 49 6.274 1.619 -12.306 1.00 0.00 C ATOM 721 O SER A 49 7.395 1.538 -12.807 1.00 0.00 O ATOM 722 CB SER A 49 4.468 1.387 -14.021 1.00 0.00 C ATOM 723 OG SER A 49 5.438 1.837 -14.951 1.00 0.00 O ATOM 0 H SER A 49 3.195 0.785 -11.999 1.00 0.00 H new ATOM 0 HA SER A 49 5.539 -0.228 -13.094 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.804 0.669 -14.502 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.851 2.226 -13.700 1.00 0.00 H new ATOM 0 HG SER A 49 4.989 2.245 -15.720 1.00 0.00 H new ATOM 729 N GLU A 50 5.981 2.457 -11.317 1.00 0.00 N ATOM 730 CA GLU A 50 6.985 3.351 -10.752 1.00 0.00 C ATOM 731 C GLU A 50 7.836 2.627 -9.713 1.00 0.00 C ATOM 732 O GLU A 50 9.030 2.411 -9.916 1.00 0.00 O ATOM 733 CB GLU A 50 6.313 4.571 -10.117 1.00 0.00 C ATOM 734 CG GLU A 50 7.285 5.683 -9.759 1.00 0.00 C ATOM 735 CD GLU A 50 7.509 6.652 -10.904 1.00 0.00 C ATOM 736 OE1 GLU A 50 6.525 7.268 -11.362 1.00 0.00 O ATOM 737 OE2 GLU A 50 8.671 6.794 -11.340 1.00 0.00 O ATOM 0 H GLU A 50 5.058 2.536 -10.891 1.00 0.00 H new ATOM 0 HA GLU A 50 7.636 3.683 -11.561 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.564 4.962 -10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.785 4.257 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.905 6.229 -8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.239 5.246 -9.466 1.00 0.00 H new ATOM 744 N GLU A 51 7.211 2.256 -8.599 1.00 0.00 N ATOM 745 CA GLU A 51 7.912 1.557 -7.528 1.00 0.00 C ATOM 746 C GLU A 51 6.967 0.621 -6.780 1.00 0.00 C ATOM 747 O GLU A 51 5.788 0.515 -7.116 1.00 0.00 O ATOM 748 CB GLU A 51 8.530 2.562 -6.553 1.00 0.00 C ATOM 749 CG GLU A 51 9.435 3.582 -7.223 1.00 0.00 C ATOM 750 CD GLU A 51 10.327 4.309 -6.235 1.00 0.00 C ATOM 751 OE1 GLU A 51 11.198 3.651 -5.628 1.00 0.00 O ATOM 752 OE2 GLU A 51 10.154 5.534 -6.069 1.00 0.00 O ATOM 0 H GLU A 51 6.222 2.428 -8.415 1.00 0.00 H new ATOM 0 HA GLU A 51 8.707 0.961 -7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.731 3.086 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.102 2.020 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.055 3.080 -7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.824 4.309 -7.758 1.00 0.00 H new ATOM 759 N GLN A 52 7.494 -0.054 -5.764 1.00 0.00 N ATOM 760 CA GLN A 52 6.699 -0.982 -4.969 1.00 0.00 C ATOM 761 C GLN A 52 6.680 -0.565 -3.502 1.00 0.00 C ATOM 762 O GLN A 52 7.618 0.063 -3.013 1.00 0.00 O ATOM 763 CB GLN A 52 7.250 -2.403 -5.101 1.00 0.00 C ATOM 764 CG GLN A 52 7.579 -2.798 -6.531 1.00 0.00 C ATOM 765 CD GLN A 52 7.914 -4.270 -6.668 1.00 0.00 C ATOM 766 OE1 GLN A 52 7.996 -4.994 -5.676 1.00 0.00 O ATOM 767 NE2 GLN A 52 8.111 -4.720 -7.902 1.00 0.00 N ATOM 0 H GLN A 52 8.468 0.024 -5.472 1.00 0.00 H new ATOM 0 HA GLN A 52 5.677 -0.960 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.150 -2.493 -4.492 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.521 -3.105 -4.698 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.731 -2.561 -7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.422 -2.203 -6.883 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.033 -4.084 -8.695 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.341 -5.702 -8.056 1.00 0.00 H new ATOM 776 N GLY A 53 5.605 -0.919 -2.805 1.00 0.00 N ATOM 777 CA GLY A 53 5.484 -0.573 -1.400 1.00 0.00 C ATOM 778 C GLY A 53 4.339 -1.296 -0.721 1.00 0.00 C ATOM 779 O GLY A 53 3.439 -1.809 -1.386 1.00 0.00 O ATOM 0 H GLY A 53 4.815 -1.439 -3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.416 -0.814 -0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.337 0.503 -1.305 1.00 0.00 H new ATOM 783 N TRP A 54 4.373 -1.340 0.606 1.00 0.00 N ATOM 784 CA TRP A 54 3.330 -2.008 1.376 1.00 0.00 C ATOM 785 C TRP A 54 2.218 -1.034 1.746 1.00 0.00 C ATOM 786 O TRP A 54 2.459 -0.022 2.405 1.00 0.00 O ATOM 787 CB TRP A 54 3.921 -2.631 2.641 1.00 0.00 C ATOM 788 CG TRP A 54 4.787 -3.824 2.368 1.00 0.00 C ATOM 789 CD1 TRP A 54 6.077 -3.815 1.921 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.423 -5.200 2.521 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.537 -5.103 1.788 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.542 -5.971 2.150 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.261 -5.856 2.937 1.00 0.00 C ATOM 794 CZ2 TRP A 54 5.530 -7.363 2.183 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.251 -7.238 2.969 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.380 -7.979 2.595 1.00 0.00 C ATOM 0 H TRP A 54 5.112 -0.921 1.171 1.00 0.00 H new ATOM 0 HA TRP A 54 2.905 -2.797 0.756 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.508 -1.878 3.168 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.109 -2.925 3.306 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.651 -2.926 1.704 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.469 -5.369 1.471 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.386 -5.293 3.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.398 -7.936 1.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.358 -7.755 3.288 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.342 -9.058 2.633 1.00 0.00 H new ATOM 807 N VAL A 55 0.998 -1.344 1.318 1.00 0.00 N ATOM 808 CA VAL A 55 -0.152 -0.496 1.606 1.00 0.00 C ATOM 809 C VAL A 55 -1.294 -1.305 2.212 1.00 0.00 C ATOM 810 O VAL A 55 -1.397 -2.517 2.024 1.00 0.00 O ATOM 811 CB VAL A 55 -0.658 0.214 0.337 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.241 1.391 -0.011 1.00 0.00 C ATOM 813 CG2 VAL A 55 -0.741 -0.765 -0.824 1.00 0.00 C ATOM 0 H VAL A 55 0.781 -2.177 0.770 1.00 0.00 H new ATOM 0 HA VAL A 55 0.180 0.253 2.325 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.660 0.598 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.132 1.880 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.244 2.103 0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.256 1.034 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.100 -0.246 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.247 -1.180 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.430 -1.571 -0.571 1.00 0.00 H new ATOM 823 N PRO A 56 -2.174 -0.620 2.958 1.00 0.00 N ATOM 824 CA PRO A 56 -3.325 -1.254 3.606 1.00 0.00 C ATOM 825 C PRO A 56 -4.379 -1.707 2.601 1.00 0.00 C ATOM 826 O PRO A 56 -4.788 -0.941 1.729 1.00 0.00 O ATOM 827 CB PRO A 56 -3.882 -0.146 4.503 1.00 0.00 C ATOM 828 CG PRO A 56 -3.446 1.122 3.855 1.00 0.00 C ATOM 829 CD PRO A 56 -2.113 0.827 3.225 1.00 0.00 C ATOM 0 HA PRO A 56 -3.042 -2.157 4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.968 -0.202 4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.493 -0.226 5.518 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.169 1.446 3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.363 1.926 4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.966 1.399 2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.289 1.078 3.893 1.00 0.00 H new ATOM 837 N ALA A 57 -4.816 -2.955 2.731 1.00 0.00 N ATOM 838 CA ALA A 57 -5.825 -3.508 1.835 1.00 0.00 C ATOM 839 C ALA A 57 -7.045 -2.596 1.753 1.00 0.00 C ATOM 840 O ALA A 57 -7.727 -2.545 0.729 1.00 0.00 O ATOM 841 CB ALA A 57 -6.234 -4.899 2.296 1.00 0.00 C ATOM 0 H ALA A 57 -4.488 -3.602 3.448 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.390 -3.580 0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.988 -5.300 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.362 -5.553 2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.646 -4.842 3.304 1.00 0.00 H new ATOM 847 N THR A 58 -7.315 -1.877 2.838 1.00 0.00 N ATOM 848 CA THR A 58 -8.453 -0.969 2.889 1.00 0.00 C ATOM 849 C THR A 58 -8.403 0.041 1.748 1.00 0.00 C ATOM 850 O THR A 58 -9.432 0.567 1.325 1.00 0.00 O ATOM 851 CB THR A 58 -8.508 -0.210 4.228 1.00 0.00 C ATOM 852 OG1 THR A 58 -7.251 0.428 4.481 1.00 0.00 O ATOM 853 CG2 THR A 58 -8.841 -1.156 5.372 1.00 0.00 C ATOM 0 H THR A 58 -6.760 -1.906 3.694 1.00 0.00 H new ATOM 0 HA THR A 58 -9.349 -1.582 2.790 1.00 0.00 H new ATOM 0 HB THR A 58 -9.291 0.545 4.161 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.294 0.910 5.333 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.874 -0.598 6.308 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.811 -1.619 5.191 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.076 -1.930 5.438 1.00 0.00 H new ATOM 861 N TYR A 59 -7.199 0.307 1.253 1.00 0.00 N ATOM 862 CA TYR A 59 -7.014 1.255 0.161 1.00 0.00 C ATOM 863 C TYR A 59 -6.954 0.535 -1.183 1.00 0.00 C ATOM 864 O TYR A 59 -6.346 1.024 -2.136 1.00 0.00 O ATOM 865 CB TYR A 59 -5.736 2.068 0.374 1.00 0.00 C ATOM 866 CG TYR A 59 -5.913 3.240 1.314 1.00 0.00 C ATOM 867 CD1 TYR A 59 -6.143 3.040 2.669 1.00 0.00 C ATOM 868 CD2 TYR A 59 -5.849 4.546 0.845 1.00 0.00 C ATOM 869 CE1 TYR A 59 -6.306 4.107 3.531 1.00 0.00 C ATOM 870 CE2 TYR A 59 -6.010 5.620 1.700 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.238 5.395 3.042 1.00 0.00 C ATOM 872 OH TYR A 59 -6.399 6.461 3.897 1.00 0.00 O ATOM 0 H TYR A 59 -6.337 -0.121 1.591 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.869 1.930 0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.959 1.412 0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.385 2.436 -0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.195 2.033 3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.671 4.725 -0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.486 3.934 4.582 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.958 6.629 1.320 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.322 7.298 3.394 1.00 0.00 H new ATOM 882 N LEU A 60 -7.589 -0.630 -1.251 1.00 0.00 N ATOM 883 CA LEU A 60 -7.609 -1.420 -2.477 1.00 0.00 C ATOM 884 C LEU A 60 -8.946 -2.134 -2.642 1.00 0.00 C ATOM 885 O LEU A 60 -9.515 -2.639 -1.674 1.00 0.00 O ATOM 886 CB LEU A 60 -6.470 -2.441 -2.468 1.00 0.00 C ATOM 887 CG LEU A 60 -5.098 -1.912 -2.050 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.148 -3.063 -1.760 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.525 -1.004 -3.128 1.00 0.00 C ATOM 0 H LEU A 60 -8.097 -1.048 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.474 -0.742 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.744 -3.255 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.384 -2.868 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.218 -1.328 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.176 -2.667 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.552 -3.674 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.033 -3.674 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.548 -0.637 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.420 -1.564 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.196 -0.160 -3.287 1.00 0.00 H new ATOM 901 N GLU A 61 -9.442 -2.175 -3.875 1.00 0.00 N ATOM 902 CA GLU A 61 -10.712 -2.829 -4.167 1.00 0.00 C ATOM 903 C GLU A 61 -10.564 -3.813 -5.324 1.00 0.00 C ATOM 904 O GLU A 61 -9.719 -3.634 -6.200 1.00 0.00 O ATOM 905 CB GLU A 61 -11.782 -1.788 -4.501 1.00 0.00 C ATOM 906 CG GLU A 61 -13.202 -2.319 -4.391 1.00 0.00 C ATOM 907 CD GLU A 61 -14.236 -1.211 -4.339 1.00 0.00 C ATOM 908 OE1 GLU A 61 -13.836 -0.029 -4.277 1.00 0.00 O ATOM 909 OE2 GLU A 61 -15.445 -1.525 -4.360 1.00 0.00 O ATOM 0 H GLU A 61 -8.983 -1.763 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.019 -3.383 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.669 -0.935 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.617 -1.422 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.411 -2.966 -5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.288 -2.934 -3.495 1.00 0.00 H new ATOM 916 N ALA A 62 -11.392 -4.852 -5.318 1.00 0.00 N ATOM 917 CA ALA A 62 -11.356 -5.864 -6.367 1.00 0.00 C ATOM 918 C ALA A 62 -12.087 -5.385 -7.617 1.00 0.00 C ATOM 919 O ALA A 62 -13.315 -5.418 -7.679 1.00 0.00 O ATOM 920 CB ALA A 62 -11.961 -7.166 -5.866 1.00 0.00 C ATOM 0 H ALA A 62 -12.096 -5.015 -4.598 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.313 -6.040 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.927 -7.912 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.393 -7.524 -5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.997 -6.996 -5.571 1.00 0.00 H new ATOM 926 N GLN A 63 -11.323 -4.940 -8.610 1.00 0.00 N ATOM 927 CA GLN A 63 -11.899 -4.453 -9.857 1.00 0.00 C ATOM 928 C GLN A 63 -12.842 -5.489 -10.462 1.00 0.00 C ATOM 929 O GLN A 63 -12.404 -6.531 -10.948 1.00 0.00 O ATOM 930 CB GLN A 63 -10.792 -4.109 -10.855 1.00 0.00 C ATOM 931 CG GLN A 63 -10.274 -2.686 -10.722 1.00 0.00 C ATOM 932 CD GLN A 63 -9.581 -2.198 -11.979 1.00 0.00 C ATOM 933 OE1 GLN A 63 -10.224 -1.700 -12.903 1.00 0.00 O ATOM 934 NE2 GLN A 63 -8.261 -2.338 -12.019 1.00 0.00 N ATOM 0 H GLN A 63 -10.304 -4.907 -8.575 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.472 -3.552 -9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.963 -4.803 -10.718 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.168 -4.257 -11.867 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.105 -2.021 -10.488 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.579 -2.633 -9.884 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.768 -2.756 -11.230 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.740 -2.027 -12.839 1.00 0.00 H new ATOM 943 N ASN A 64 -14.137 -5.194 -10.429 1.00 0.00 N ATOM 944 CA ASN A 64 -15.142 -6.101 -10.973 1.00 0.00 C ATOM 945 C ASN A 64 -15.577 -5.657 -12.366 1.00 0.00 C ATOM 946 O ASN A 64 -15.530 -4.471 -12.694 1.00 0.00 O ATOM 947 CB ASN A 64 -16.356 -6.167 -10.044 1.00 0.00 C ATOM 948 CG ASN A 64 -16.203 -7.225 -8.968 1.00 0.00 C ATOM 949 OD1 ASN A 64 -16.161 -8.420 -9.259 1.00 0.00 O ATOM 950 ND2 ASN A 64 -16.120 -6.789 -7.717 1.00 0.00 N ATOM 0 H ASN A 64 -14.516 -4.334 -10.032 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.697 -7.093 -11.049 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.505 -5.194 -9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -17.249 -6.377 -10.632 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -16.017 -7.454 -6.951 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.159 -5.789 -7.522 1.00 0.00 H new ATOM 957 N SER A 65 -16.001 -6.617 -13.182 1.00 0.00 N ATOM 958 CA SER A 65 -16.442 -6.326 -14.541 1.00 0.00 C ATOM 959 C SER A 65 -17.947 -6.076 -14.582 1.00 0.00 C ATOM 960 O SER A 65 -18.729 -6.832 -14.006 1.00 0.00 O ATOM 961 CB SER A 65 -16.080 -7.482 -15.475 1.00 0.00 C ATOM 962 OG SER A 65 -17.045 -8.518 -15.403 1.00 0.00 O ATOM 0 H SER A 65 -16.048 -7.603 -12.925 1.00 0.00 H new ATOM 0 HA SER A 65 -15.932 -5.423 -14.877 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.009 -7.117 -16.500 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.099 -7.875 -15.208 1.00 0.00 H new ATOM 0 HG SER A 65 -16.791 -9.244 -16.010 1.00 0.00 H new ATOM 968 N GLY A 66 -18.345 -5.009 -15.267 1.00 0.00 N ATOM 969 CA GLY A 66 -19.754 -4.677 -15.372 1.00 0.00 C ATOM 970 C GLY A 66 -20.082 -3.941 -16.656 1.00 0.00 C ATOM 971 O GLY A 66 -20.395 -2.751 -16.652 1.00 0.00 O ATOM 0 H GLY A 66 -17.717 -4.368 -15.752 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.344 -5.592 -15.320 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -20.044 -4.062 -14.520 1.00 0.00 H new ATOM 975 N PRO A 67 -20.012 -4.658 -17.787 1.00 0.00 N ATOM 976 CA PRO A 67 -20.300 -4.086 -19.106 1.00 0.00 C ATOM 977 C PRO A 67 -21.779 -3.763 -19.287 1.00 0.00 C ATOM 978 O PRO A 67 -22.147 -2.944 -20.128 1.00 0.00 O ATOM 979 CB PRO A 67 -19.872 -5.192 -20.074 1.00 0.00 C ATOM 980 CG PRO A 67 -19.985 -6.451 -19.284 1.00 0.00 C ATOM 981 CD PRO A 67 -19.646 -6.082 -17.866 1.00 0.00 C ATOM 0 HA PRO A 67 -19.781 -3.140 -19.262 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -20.514 -5.218 -20.954 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -18.853 -5.036 -20.427 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -20.992 -6.864 -19.350 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -19.303 -7.212 -19.663 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -20.208 -6.682 -17.150 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -18.589 -6.238 -17.652 1.00 0.00 H new ATOM 989 N SER A 68 -22.624 -4.413 -18.492 1.00 0.00 N ATOM 990 CA SER A 68 -24.064 -4.197 -18.567 1.00 0.00 C ATOM 991 C SER A 68 -24.506 -3.128 -17.572 1.00 0.00 C ATOM 992 O SER A 68 -24.543 -3.365 -16.365 1.00 0.00 O ATOM 993 CB SER A 68 -24.812 -5.503 -18.295 1.00 0.00 C ATOM 994 OG SER A 68 -26.194 -5.368 -18.578 1.00 0.00 O ATOM 0 H SER A 68 -22.336 -5.093 -17.789 1.00 0.00 H new ATOM 0 HA SER A 68 -24.302 -3.853 -19.573 1.00 0.00 H new ATOM 0 HB2 SER A 68 -24.389 -6.302 -18.905 1.00 0.00 H new ATOM 0 HB3 SER A 68 -24.678 -5.792 -17.253 1.00 0.00 H new ATOM 0 HG SER A 68 -26.654 -5.003 -17.794 1.00 0.00 H new ATOM 1000 N SER A 69 -24.839 -1.949 -18.088 1.00 0.00 N ATOM 1001 CA SER A 69 -25.275 -0.841 -17.246 1.00 0.00 C ATOM 1002 C SER A 69 -26.465 -1.250 -16.383 1.00 0.00 C ATOM 1003 O SER A 69 -26.414 -1.169 -15.157 1.00 0.00 O ATOM 1004 CB SER A 69 -25.646 0.367 -18.108 1.00 0.00 C ATOM 1005 OG SER A 69 -25.691 1.552 -17.332 1.00 0.00 O ATOM 0 H SER A 69 -24.815 -1.737 -19.085 1.00 0.00 H new ATOM 0 HA SER A 69 -24.449 -0.569 -16.589 1.00 0.00 H new ATOM 0 HB2 SER A 69 -24.918 0.482 -18.911 1.00 0.00 H new ATOM 0 HB3 SER A 69 -26.615 0.199 -18.578 1.00 0.00 H new ATOM 0 HG SER A 69 -25.928 2.310 -17.906 1.00 0.00 H new ATOM 1011 N GLY A 70 -27.537 -1.691 -17.035 1.00 0.00 N ATOM 1012 CA GLY A 70 -28.725 -2.106 -16.313 1.00 0.00 C ATOM 1013 C GLY A 70 -28.755 -3.599 -16.056 1.00 0.00 C ATOM 1014 O GLY A 70 -28.213 -4.382 -16.836 1.00 0.00 O ATOM 0 H GLY A 70 -27.603 -1.768 -18.050 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.772 -1.576 -15.362 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.610 -1.820 -16.881 1.00 0.00 H new TER 1018 GLY A 70