USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 866 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 41 GLN :FLIP amide:sc= -1.59! F(o=-2.7,f=-0.65!) USER MOD Set 1.2: A 47 SER OG : rot -33:sc= 0.938 USER MOD Set 2.1: A 22 ASN : amide:sc= -0.227 K(o=0.11,f=-3) USER MOD Set 2.2: A 100 SER OG : rot -110:sc= 0.337 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -55:sc= 0.0125 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.262 K(o=-0.26,f=-2.3) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 50 TYR OH : rot 141:sc= -3.33! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 158:sc= -1.24 (180deg=-2.02) USER MOD Single : A 74 SER OG : rot 180:sc= -0.183 USER MOD Single : A 76 ASN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 78 GLN : amide:sc= -3.27! C(o=-3.3!,f=-3.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc=-0.00698 X(o=-0.007,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.11) USER MOD Single : A 86 GLN : amide:sc=-0.00474 X(o=-0.0047,f=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -2.27! C(o=-2.3!,f=-2.9!) USER MOD Single : A 105 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-3.7!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.449 20.228 15.755 1.00 0.00 N ATOM 2 CA GLY A 1 -28.142 19.018 15.354 1.00 0.00 C ATOM 3 C GLY A 1 -27.263 18.090 14.539 1.00 0.00 C ATOM 4 O GLY A 1 -26.372 17.434 15.079 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.092 20.829 16.309 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.622 19.979 16.335 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.135 20.745 14.909 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.494 18.493 16.242 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.023 19.284 14.771 1.00 0.00 H new ATOM 8 N SER A 2 -27.514 18.033 13.235 1.00 0.00 N ATOM 9 CA SER A 2 -26.742 17.173 12.345 1.00 0.00 C ATOM 10 C SER A 2 -25.643 17.966 11.644 1.00 0.00 C ATOM 11 O SER A 2 -25.781 19.166 11.409 1.00 0.00 O ATOM 12 CB SER A 2 -27.659 16.524 11.306 1.00 0.00 C ATOM 13 OG SER A 2 -28.295 17.503 10.503 1.00 0.00 O ATOM 0 H SER A 2 -28.246 18.572 12.771 1.00 0.00 H new ATOM 0 HA SER A 2 -26.277 16.392 12.947 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.079 15.852 10.674 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.412 15.917 11.809 1.00 0.00 H new ATOM 0 HG SER A 2 -28.874 17.062 9.846 1.00 0.00 H new ATOM 19 N SER A 3 -24.550 17.284 11.313 1.00 0.00 N ATOM 20 CA SER A 3 -23.424 17.924 10.642 1.00 0.00 C ATOM 21 C SER A 3 -23.215 17.335 9.251 1.00 0.00 C ATOM 22 O SER A 3 -22.684 16.234 9.104 1.00 0.00 O ATOM 23 CB SER A 3 -22.150 17.764 11.474 1.00 0.00 C ATOM 24 OG SER A 3 -22.068 18.761 12.477 1.00 0.00 O ATOM 0 H SER A 3 -24.421 16.289 11.499 1.00 0.00 H new ATOM 0 HA SER A 3 -23.650 18.985 10.537 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.135 16.777 11.936 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.277 17.825 10.824 1.00 0.00 H new ATOM 0 HG SER A 3 -21.246 18.636 12.996 1.00 0.00 H new ATOM 30 N GLY A 4 -23.636 18.076 8.231 1.00 0.00 N ATOM 31 CA GLY A 4 -23.487 17.612 6.864 1.00 0.00 C ATOM 32 C GLY A 4 -22.049 17.667 6.387 1.00 0.00 C ATOM 33 O GLY A 4 -21.134 17.895 7.178 1.00 0.00 O ATOM 0 H GLY A 4 -24.078 18.990 8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.853 16.588 6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.108 18.221 6.207 1.00 0.00 H new ATOM 37 N SER A 5 -21.849 17.455 5.090 1.00 0.00 N ATOM 38 CA SER A 5 -20.511 17.476 4.510 1.00 0.00 C ATOM 39 C SER A 5 -20.336 18.682 3.592 1.00 0.00 C ATOM 40 O SER A 5 -20.782 18.673 2.445 1.00 0.00 O ATOM 41 CB SER A 5 -20.250 16.186 3.731 1.00 0.00 C ATOM 42 OG SER A 5 -20.393 15.049 4.564 1.00 0.00 O ATOM 0 H SER A 5 -22.596 17.267 4.421 1.00 0.00 H new ATOM 0 HA SER A 5 -19.790 17.553 5.324 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.944 16.117 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.245 16.209 3.311 1.00 0.00 H new ATOM 0 HG SER A 5 -20.223 14.237 4.042 1.00 0.00 H new ATOM 48 N SER A 6 -19.683 19.719 4.107 1.00 0.00 N ATOM 49 CA SER A 6 -19.451 20.935 3.336 1.00 0.00 C ATOM 50 C SER A 6 -17.964 21.121 3.048 1.00 0.00 C ATOM 51 O SER A 6 -17.244 21.751 3.821 1.00 0.00 O ATOM 52 CB SER A 6 -19.992 22.152 4.089 1.00 0.00 C ATOM 53 OG SER A 6 -19.524 23.359 3.511 1.00 0.00 O ATOM 0 H SER A 6 -19.305 19.742 5.054 1.00 0.00 H new ATOM 0 HA SER A 6 -19.978 20.840 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.082 22.137 4.075 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.686 22.103 5.134 1.00 0.00 H new ATOM 0 HG SER A 6 -19.885 24.122 4.009 1.00 0.00 H new ATOM 59 N GLY A 7 -17.511 20.567 1.927 1.00 0.00 N ATOM 60 CA GLY A 7 -16.113 20.681 1.555 1.00 0.00 C ATOM 61 C GLY A 7 -15.929 21.219 0.150 1.00 0.00 C ATOM 62 O GLY A 7 -16.201 20.523 -0.828 1.00 0.00 O ATOM 0 H GLY A 7 -18.088 20.041 1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.605 21.337 2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.639 19.702 1.631 1.00 0.00 H new ATOM 66 N MET A 8 -15.467 22.461 0.049 1.00 0.00 N ATOM 67 CA MET A 8 -15.248 23.091 -1.248 1.00 0.00 C ATOM 68 C MET A 8 -14.104 22.412 -1.996 1.00 0.00 C ATOM 69 O MET A 8 -14.224 22.101 -3.180 1.00 0.00 O ATOM 70 CB MET A 8 -14.944 24.580 -1.071 1.00 0.00 C ATOM 71 CG MET A 8 -16.178 25.423 -0.796 1.00 0.00 C ATOM 72 SD MET A 8 -15.772 27.109 -0.300 1.00 0.00 S ATOM 73 CE MET A 8 -16.267 27.084 1.421 1.00 0.00 C ATOM 0 H MET A 8 -15.237 23.051 0.849 1.00 0.00 H new ATOM 0 HA MET A 8 -16.159 22.981 -1.836 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.239 24.703 -0.249 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.453 24.952 -1.970 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.800 25.452 -1.690 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.769 24.950 -0.012 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.077 28.060 1.868 1.00 0.00 H new ATOM 0 HE2 MET A 8 -17.330 26.853 1.491 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.695 26.324 1.953 1.00 0.00 H new ATOM 83 N ASN A 9 -12.997 22.187 -1.296 1.00 0.00 N ATOM 84 CA ASN A 9 -11.832 21.545 -1.895 1.00 0.00 C ATOM 85 C ASN A 9 -12.153 20.113 -2.311 1.00 0.00 C ATOM 86 O ASN A 9 -11.968 19.735 -3.466 1.00 0.00 O ATOM 87 CB ASN A 9 -10.659 21.553 -0.913 1.00 0.00 C ATOM 88 CG ASN A 9 -9.921 22.877 -0.904 1.00 0.00 C ATOM 89 OD1 ASN A 9 -10.472 23.910 -1.283 1.00 0.00 O ATOM 90 ND2 ASN A 9 -8.666 22.852 -0.469 1.00 0.00 N ATOM 0 H ASN A 9 -12.882 22.439 -0.314 1.00 0.00 H new ATOM 0 HA ASN A 9 -11.555 22.109 -2.786 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.027 21.339 0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.964 20.755 -1.175 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.119 23.713 -0.440 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.249 21.972 -0.164 1.00 0.00 H new ATOM 97 N GLY A 10 -12.636 19.320 -1.359 1.00 0.00 N ATOM 98 CA GLY A 10 -12.976 17.939 -1.645 1.00 0.00 C ATOM 99 C GLY A 10 -12.624 17.006 -0.503 1.00 0.00 C ATOM 100 O GLY A 10 -12.628 17.410 0.660 1.00 0.00 O ATOM 0 H GLY A 10 -12.798 19.610 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.043 17.867 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.453 17.619 -2.546 1.00 0.00 H new ATOM 104 N ARG A 11 -12.322 15.755 -0.834 1.00 0.00 N ATOM 105 CA ARG A 11 -11.969 14.762 0.173 1.00 0.00 C ATOM 106 C ARG A 11 -11.208 13.598 -0.454 1.00 0.00 C ATOM 107 O ARG A 11 -11.495 13.188 -1.579 1.00 0.00 O ATOM 108 CB ARG A 11 -13.228 14.245 0.872 1.00 0.00 C ATOM 109 CG ARG A 11 -12.985 13.779 2.298 1.00 0.00 C ATOM 110 CD ARG A 11 -13.945 12.668 2.692 1.00 0.00 C ATOM 111 NE ARG A 11 -15.217 13.192 3.183 1.00 0.00 N ATOM 112 CZ ARG A 11 -16.293 12.439 3.385 1.00 0.00 C ATOM 113 NH1 ARG A 11 -16.251 11.137 3.140 1.00 0.00 N ATOM 114 NH2 ARG A 11 -17.415 12.989 3.833 1.00 0.00 N ATOM 0 H ARG A 11 -12.315 15.405 -1.792 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.323 15.241 0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.979 15.035 0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.641 13.418 0.294 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.958 13.426 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.100 14.620 2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.126 12.024 1.832 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.486 12.049 3.463 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.283 14.190 3.382 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.391 10.710 2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -17.079 10.562 3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.452 13.991 4.022 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -18.240 12.410 3.988 1.00 0.00 H new ATOM 128 N VAL A 12 -10.235 13.069 0.282 1.00 0.00 N ATOM 129 CA VAL A 12 -9.432 11.952 -0.202 1.00 0.00 C ATOM 130 C VAL A 12 -9.852 10.646 0.463 1.00 0.00 C ATOM 131 O VAL A 12 -9.324 10.273 1.511 1.00 0.00 O ATOM 132 CB VAL A 12 -7.932 12.187 0.055 1.00 0.00 C ATOM 133 CG1 VAL A 12 -7.094 11.513 -1.021 1.00 0.00 C ATOM 134 CG2 VAL A 12 -7.630 13.677 0.122 1.00 0.00 C ATOM 0 H VAL A 12 -9.984 13.396 1.215 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.602 11.881 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.672 11.743 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.037 11.690 -0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.290 10.441 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.354 11.925 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.566 13.825 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.905 14.147 -0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.203 14.128 0.932 1.00 0.00 H new ATOM 144 N ASP A 13 -10.804 9.954 -0.154 1.00 0.00 N ATOM 145 CA ASP A 13 -11.294 8.688 0.377 1.00 0.00 C ATOM 146 C ASP A 13 -10.731 7.512 -0.416 1.00 0.00 C ATOM 147 O ASP A 13 -10.932 7.414 -1.627 1.00 0.00 O ATOM 148 CB ASP A 13 -12.823 8.655 0.346 1.00 0.00 C ATOM 149 CG ASP A 13 -13.390 9.292 -0.907 1.00 0.00 C ATOM 150 OD1 ASP A 13 -13.575 10.527 -0.913 1.00 0.00 O ATOM 151 OD2 ASP A 13 -13.650 8.556 -1.882 1.00 0.00 O ATOM 0 H ASP A 13 -11.251 10.249 -1.022 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.958 8.601 1.410 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.163 7.621 0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.213 9.174 1.222 1.00 0.00 H new ATOM 156 N TYR A 14 -10.026 6.623 0.275 1.00 0.00 N ATOM 157 CA TYR A 14 -9.431 5.456 -0.366 1.00 0.00 C ATOM 158 C TYR A 14 -9.061 4.397 0.668 1.00 0.00 C ATOM 159 O TYR A 14 -8.290 4.657 1.593 1.00 0.00 O ATOM 160 CB TYR A 14 -8.191 5.862 -1.163 1.00 0.00 C ATOM 161 CG TYR A 14 -7.053 6.360 -0.300 1.00 0.00 C ATOM 162 CD1 TYR A 14 -7.182 7.523 0.450 1.00 0.00 C ATOM 163 CD2 TYR A 14 -5.850 5.669 -0.236 1.00 0.00 C ATOM 164 CE1 TYR A 14 -6.145 7.982 1.239 1.00 0.00 C ATOM 165 CE2 TYR A 14 -4.808 6.120 0.552 1.00 0.00 C ATOM 166 CZ TYR A 14 -4.960 7.277 1.287 1.00 0.00 C ATOM 167 OH TYR A 14 -3.925 7.731 2.071 1.00 0.00 O ATOM 0 H TYR A 14 -9.853 6.688 1.278 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.169 5.031 -1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.847 5.007 -1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.465 6.642 -1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.108 8.077 0.415 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.727 4.764 -0.812 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.261 8.888 1.815 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.880 5.569 0.592 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.163 7.119 1.993 1.00 0.00 H new ATOM 177 N LEU A 15 -9.616 3.201 0.505 1.00 0.00 N ATOM 178 CA LEU A 15 -9.345 2.100 1.423 1.00 0.00 C ATOM 179 C LEU A 15 -7.952 1.524 1.186 1.00 0.00 C ATOM 180 O LEU A 15 -7.647 1.039 0.096 1.00 0.00 O ATOM 181 CB LEU A 15 -10.398 1.003 1.259 1.00 0.00 C ATOM 182 CG LEU A 15 -10.697 0.168 2.506 1.00 0.00 C ATOM 183 CD1 LEU A 15 -9.452 -0.579 2.959 1.00 0.00 C ATOM 184 CD2 LEU A 15 -11.228 1.053 3.625 1.00 0.00 C ATOM 0 H LEU A 15 -10.256 2.969 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.389 2.488 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.327 1.465 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.073 0.331 0.465 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.464 -0.565 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.684 -1.167 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.115 -1.242 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.664 0.136 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.435 0.443 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.484 1.809 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.146 1.542 3.298 1.00 0.00 H new ATOM 196 N VAL A 16 -7.112 1.578 2.215 1.00 0.00 N ATOM 197 CA VAL A 16 -5.753 1.059 2.120 1.00 0.00 C ATOM 198 C VAL A 16 -5.657 -0.341 2.716 1.00 0.00 C ATOM 199 O VAL A 16 -6.207 -0.614 3.783 1.00 0.00 O ATOM 200 CB VAL A 16 -4.749 1.980 2.837 1.00 0.00 C ATOM 201 CG1 VAL A 16 -3.544 1.185 3.318 1.00 0.00 C ATOM 202 CG2 VAL A 16 -4.318 3.114 1.920 1.00 0.00 C ATOM 0 H VAL A 16 -7.349 1.976 3.124 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.503 1.018 1.060 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.239 2.414 3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.845 1.853 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.872 0.411 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.050 0.721 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.608 3.755 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.846 2.701 1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.191 3.699 1.630 1.00 0.00 H new ATOM 212 N THR A 17 -4.953 -1.228 2.019 1.00 0.00 N ATOM 213 CA THR A 17 -4.785 -2.601 2.478 1.00 0.00 C ATOM 214 C THR A 17 -3.383 -3.116 2.171 1.00 0.00 C ATOM 215 O THR A 17 -2.718 -2.623 1.261 1.00 0.00 O ATOM 216 CB THR A 17 -5.818 -3.541 1.828 1.00 0.00 C ATOM 217 OG1 THR A 17 -5.548 -3.673 0.428 1.00 0.00 O ATOM 218 CG2 THR A 17 -7.231 -3.015 2.030 1.00 0.00 C ATOM 0 H THR A 17 -4.490 -1.020 1.134 1.00 0.00 H new ATOM 0 HA THR A 17 -4.939 -2.594 3.557 1.00 0.00 H new ATOM 0 HB THR A 17 -5.739 -4.517 2.306 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.521 -2.785 0.015 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.943 -3.695 1.562 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.444 -2.944 3.097 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.320 -2.028 1.576 1.00 0.00 H new ATOM 226 N GLU A 18 -2.942 -4.109 2.936 1.00 0.00 N ATOM 227 CA GLU A 18 -1.618 -4.690 2.744 1.00 0.00 C ATOM 228 C GLU A 18 -1.719 -6.173 2.400 1.00 0.00 C ATOM 229 O GLU A 18 -2.724 -6.821 2.691 1.00 0.00 O ATOM 230 CB GLU A 18 -0.768 -4.503 4.003 1.00 0.00 C ATOM 231 CG GLU A 18 -0.581 -3.049 4.401 1.00 0.00 C ATOM 232 CD GLU A 18 -1.663 -2.558 5.343 1.00 0.00 C ATOM 233 OE1 GLU A 18 -2.132 -3.361 6.177 1.00 0.00 O ATOM 234 OE2 GLU A 18 -2.041 -1.372 5.247 1.00 0.00 O ATOM 0 H GLU A 18 -3.481 -4.528 3.694 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.140 -4.174 1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.234 -5.040 4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.210 -4.955 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.392 -2.929 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.576 -2.429 3.505 1.00 0.00 H new ATOM 241 N GLU A 19 -0.670 -6.703 1.779 1.00 0.00 N ATOM 242 CA GLU A 19 -0.641 -8.109 1.394 1.00 0.00 C ATOM 243 C GLU A 19 0.789 -8.572 1.132 1.00 0.00 C ATOM 244 O GLU A 19 1.658 -7.772 0.788 1.00 0.00 O ATOM 245 CB GLU A 19 -1.499 -8.337 0.148 1.00 0.00 C ATOM 246 CG GLU A 19 -1.362 -9.732 -0.438 1.00 0.00 C ATOM 247 CD GLU A 19 -2.050 -10.789 0.404 1.00 0.00 C ATOM 248 OE1 GLU A 19 -3.190 -10.543 0.851 1.00 0.00 O ATOM 249 OE2 GLU A 19 -1.448 -11.863 0.615 1.00 0.00 O ATOM 0 H GLU A 19 0.170 -6.180 1.532 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.048 -8.694 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.545 -8.159 0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.224 -7.605 -0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.783 -9.743 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.305 -9.980 -0.533 1.00 0.00 H new ATOM 256 N GLU A 20 1.024 -9.870 1.298 1.00 0.00 N ATOM 257 CA GLU A 20 2.349 -10.440 1.081 1.00 0.00 C ATOM 258 C GLU A 20 2.401 -11.209 -0.236 1.00 0.00 C ATOM 259 O GLU A 20 1.736 -12.233 -0.395 1.00 0.00 O ATOM 260 CB GLU A 20 2.727 -11.364 2.240 1.00 0.00 C ATOM 261 CG GLU A 20 4.224 -11.449 2.487 1.00 0.00 C ATOM 262 CD GLU A 20 4.591 -12.538 3.476 1.00 0.00 C ATOM 263 OE1 GLU A 20 4.017 -12.549 4.586 1.00 0.00 O ATOM 264 OE2 GLU A 20 5.452 -13.378 3.142 1.00 0.00 O ATOM 0 H GLU A 20 0.315 -10.546 1.582 1.00 0.00 H new ATOM 0 HA GLU A 20 3.066 -9.620 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.237 -11.013 3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.343 -12.364 2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.734 -11.635 1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.582 -10.489 2.860 1.00 0.00 H new ATOM 271 N ILE A 21 3.196 -10.708 -1.176 1.00 0.00 N ATOM 272 CA ILE A 21 3.335 -11.349 -2.478 1.00 0.00 C ATOM 273 C ILE A 21 4.513 -12.318 -2.491 1.00 0.00 C ATOM 274 O ILE A 21 5.671 -11.903 -2.491 1.00 0.00 O ATOM 275 CB ILE A 21 3.528 -10.310 -3.598 1.00 0.00 C ATOM 276 CG1 ILE A 21 2.339 -9.348 -3.643 1.00 0.00 C ATOM 277 CG2 ILE A 21 3.705 -11.004 -4.940 1.00 0.00 C ATOM 278 CD1 ILE A 21 1.029 -10.023 -3.983 1.00 0.00 C ATOM 0 H ILE A 21 3.753 -9.861 -1.060 1.00 0.00 H new ATOM 0 HA ILE A 21 2.412 -11.900 -2.659 1.00 0.00 H new ATOM 0 HB ILE A 21 4.429 -9.734 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.244 -8.855 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.539 -8.570 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.840 -10.256 -5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.581 -11.652 -4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.821 -11.602 -5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.230 -9.281 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.105 -10.493 -4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.806 -10.782 -3.234 1.00 0.00 H new ATOM 290 N ASN A 22 4.207 -13.611 -2.503 1.00 0.00 N ATOM 291 CA ASN A 22 5.240 -14.641 -2.518 1.00 0.00 C ATOM 292 C ASN A 22 5.479 -15.151 -3.935 1.00 0.00 C ATOM 293 O ASN A 22 4.665 -15.895 -4.485 1.00 0.00 O ATOM 294 CB ASN A 22 4.844 -15.803 -1.605 1.00 0.00 C ATOM 295 CG ASN A 22 4.870 -15.420 -0.137 1.00 0.00 C ATOM 296 OD1 ASN A 22 5.708 -15.900 0.626 1.00 0.00 O ATOM 297 ND2 ASN A 22 3.949 -14.552 0.264 1.00 0.00 N ATOM 0 H ASN A 22 3.253 -13.971 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 22 6.165 -14.198 -2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.844 -16.146 -1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.522 -16.640 -1.771 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.917 -14.257 1.240 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.274 -14.180 -0.404 1.00 0.00 H new ATOM 304 N LEU A 23 6.601 -14.749 -4.521 1.00 0.00 N ATOM 305 CA LEU A 23 6.949 -15.166 -5.875 1.00 0.00 C ATOM 306 C LEU A 23 8.306 -15.862 -5.899 1.00 0.00 C ATOM 307 O LEU A 23 9.067 -15.796 -4.933 1.00 0.00 O ATOM 308 CB LEU A 23 6.966 -13.958 -6.814 1.00 0.00 C ATOM 309 CG LEU A 23 5.600 -13.411 -7.230 1.00 0.00 C ATOM 310 CD1 LEU A 23 5.750 -12.060 -7.911 1.00 0.00 C ATOM 311 CD2 LEU A 23 4.888 -14.396 -8.145 1.00 0.00 C ATOM 0 H LEU A 23 7.286 -14.135 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 23 6.193 -15.873 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.524 -13.156 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.515 -14.231 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 23 4.995 -13.276 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.767 -11.687 -8.200 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.218 -11.356 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.373 -12.167 -8.799 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.918 -13.991 -8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.490 -14.563 -9.039 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.746 -15.342 -7.622 1.00 0.00 H new ATOM 323 N THR A 24 8.605 -16.527 -7.010 1.00 0.00 N ATOM 324 CA THR A 24 9.871 -17.234 -7.161 1.00 0.00 C ATOM 325 C THR A 24 10.785 -16.521 -8.150 1.00 0.00 C ATOM 326 O THR A 24 10.316 -15.874 -9.087 1.00 0.00 O ATOM 327 CB THR A 24 9.652 -18.683 -7.634 1.00 0.00 C ATOM 328 OG1 THR A 24 8.701 -19.337 -6.786 1.00 0.00 O ATOM 329 CG2 THR A 24 10.961 -19.458 -7.628 1.00 0.00 C ATOM 0 H THR A 24 7.987 -16.591 -7.819 1.00 0.00 H new ATOM 0 HA THR A 24 10.344 -17.248 -6.179 1.00 0.00 H new ATOM 0 HB THR A 24 9.269 -18.655 -8.654 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.566 -20.257 -7.095 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.781 -20.479 -7.966 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.673 -18.975 -8.297 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.368 -19.477 -6.617 1.00 0.00 H new ATOM 337 N ARG A 25 12.091 -16.643 -7.937 1.00 0.00 N ATOM 338 CA ARG A 25 13.071 -16.010 -8.811 1.00 0.00 C ATOM 339 C ARG A 25 13.396 -16.905 -10.003 1.00 0.00 C ATOM 340 O ARG A 25 13.465 -18.127 -9.874 1.00 0.00 O ATOM 341 CB ARG A 25 14.349 -15.693 -8.033 1.00 0.00 C ATOM 342 CG ARG A 25 15.240 -14.669 -8.718 1.00 0.00 C ATOM 343 CD ARG A 25 16.511 -14.415 -7.922 1.00 0.00 C ATOM 344 NE ARG A 25 17.465 -15.514 -8.049 1.00 0.00 N ATOM 345 CZ ARG A 25 18.495 -15.692 -7.229 1.00 0.00 C ATOM 346 NH1 ARG A 25 18.703 -14.848 -6.228 1.00 0.00 N ATOM 347 NH2 ARG A 25 19.319 -16.716 -7.410 1.00 0.00 N ATOM 0 H ARG A 25 12.495 -17.175 -7.166 1.00 0.00 H new ATOM 0 HA ARG A 25 12.641 -15.081 -9.184 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.080 -15.324 -7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.914 -16.614 -7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.499 -15.021 -9.717 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.693 -13.734 -8.841 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.975 -13.490 -8.265 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.258 -14.274 -6.871 1.00 0.00 H new ATOM 0 HE ARG A 25 17.333 -16.181 -8.809 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.071 -14.060 -6.086 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.495 -14.987 -5.600 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.162 -17.367 -8.179 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.110 -16.852 -6.780 1.00 0.00 H new ATOM 361 N GLY A 26 13.595 -16.288 -11.164 1.00 0.00 N ATOM 362 CA GLY A 26 13.910 -17.045 -12.361 1.00 0.00 C ATOM 363 C GLY A 26 15.373 -16.942 -12.744 1.00 0.00 C ATOM 364 O GLY A 26 16.239 -16.687 -11.907 1.00 0.00 O ATOM 0 H GLY A 26 13.544 -15.278 -11.297 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.652 -18.092 -12.203 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.295 -16.686 -13.186 1.00 0.00 H new ATOM 368 N PRO A 27 15.666 -17.144 -14.037 1.00 0.00 N ATOM 369 CA PRO A 27 17.034 -17.079 -14.559 1.00 0.00 C ATOM 370 C PRO A 27 17.589 -15.659 -14.554 1.00 0.00 C ATOM 371 O PRO A 27 18.786 -15.451 -14.357 1.00 0.00 O ATOM 372 CB PRO A 27 16.892 -17.594 -15.993 1.00 0.00 C ATOM 373 CG PRO A 27 15.477 -17.308 -16.360 1.00 0.00 C ATOM 374 CD PRO A 27 14.683 -17.452 -15.090 1.00 0.00 C ATOM 0 HA PRO A 27 17.730 -17.658 -13.952 1.00 0.00 H new ATOM 0 HB2 PRO A 27 17.585 -17.089 -16.666 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.109 -18.660 -16.054 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.376 -16.304 -16.772 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.123 -18.002 -17.122 1.00 0.00 H new ATOM 0 HD2 PRO A 27 13.838 -16.764 -15.064 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.279 -18.458 -14.981 1.00 0.00 H new ATOM 382 N SER A 28 16.712 -14.685 -14.772 1.00 0.00 N ATOM 383 CA SER A 28 17.115 -13.284 -14.796 1.00 0.00 C ATOM 384 C SER A 28 16.266 -12.457 -13.835 1.00 0.00 C ATOM 385 O SER A 28 15.198 -11.967 -14.197 1.00 0.00 O ATOM 386 CB SER A 28 16.995 -12.721 -16.214 1.00 0.00 C ATOM 387 OG SER A 28 17.861 -13.400 -17.107 1.00 0.00 O ATOM 0 H SER A 28 15.717 -14.840 -14.935 1.00 0.00 H new ATOM 0 HA SER A 28 18.155 -13.226 -14.476 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.965 -12.814 -16.560 1.00 0.00 H new ATOM 0 HB3 SER A 28 17.235 -11.658 -16.208 1.00 0.00 H new ATOM 0 HG SER A 28 17.764 -13.023 -18.006 1.00 0.00 H new ATOM 393 N GLY A 29 16.751 -12.308 -12.606 1.00 0.00 N ATOM 394 CA GLY A 29 16.025 -11.541 -11.610 1.00 0.00 C ATOM 395 C GLY A 29 14.530 -11.783 -11.668 1.00 0.00 C ATOM 396 O GLY A 29 14.084 -12.907 -11.908 1.00 0.00 O ATOM 0 H GLY A 29 17.633 -12.704 -12.282 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.393 -11.800 -10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.224 -10.480 -11.757 1.00 0.00 H new ATOM 400 N LEU A 30 13.752 -10.729 -11.447 1.00 0.00 N ATOM 401 CA LEU A 30 12.297 -10.833 -11.474 1.00 0.00 C ATOM 402 C LEU A 30 11.744 -10.382 -12.821 1.00 0.00 C ATOM 403 O LEU A 30 12.496 -9.998 -13.716 1.00 0.00 O ATOM 404 CB LEU A 30 11.686 -9.993 -10.351 1.00 0.00 C ATOM 405 CG LEU A 30 11.993 -10.453 -8.925 1.00 0.00 C ATOM 406 CD1 LEU A 30 11.861 -9.293 -7.950 1.00 0.00 C ATOM 407 CD2 LEU A 30 11.073 -11.596 -8.524 1.00 0.00 C ATOM 0 H LEU A 30 14.104 -9.793 -11.247 1.00 0.00 H new ATOM 0 HA LEU A 30 12.029 -11.879 -11.324 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.033 -8.966 -10.463 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.604 -9.980 -10.482 1.00 0.00 H new ATOM 0 HG LEU A 30 13.022 -10.813 -8.893 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.083 -9.639 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.561 -8.505 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.844 -8.903 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.306 -11.911 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.036 -11.263 -8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.217 -12.435 -9.205 1.00 0.00 H new ATOM 419 N GLY A 31 10.422 -10.428 -12.958 1.00 0.00 N ATOM 420 CA GLY A 31 9.790 -10.019 -14.199 1.00 0.00 C ATOM 421 C GLY A 31 9.051 -8.702 -14.066 1.00 0.00 C ATOM 422 O GLY A 31 7.913 -8.573 -14.517 1.00 0.00 O ATOM 0 H GLY A 31 9.778 -10.741 -12.232 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.548 -9.930 -14.977 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.093 -10.793 -14.520 1.00 0.00 H new ATOM 426 N PHE A 32 9.698 -7.722 -13.444 1.00 0.00 N ATOM 427 CA PHE A 32 9.094 -6.409 -13.251 1.00 0.00 C ATOM 428 C PHE A 32 10.104 -5.426 -12.668 1.00 0.00 C ATOM 429 O PHE A 32 10.996 -5.810 -11.913 1.00 0.00 O ATOM 430 CB PHE A 32 7.878 -6.515 -12.328 1.00 0.00 C ATOM 431 CG PHE A 32 8.230 -6.859 -10.909 1.00 0.00 C ATOM 432 CD1 PHE A 32 8.395 -8.180 -10.523 1.00 0.00 C ATOM 433 CD2 PHE A 32 8.396 -5.863 -9.961 1.00 0.00 C ATOM 434 CE1 PHE A 32 8.720 -8.501 -9.218 1.00 0.00 C ATOM 435 CE2 PHE A 32 8.721 -6.177 -8.655 1.00 0.00 C ATOM 436 CZ PHE A 32 8.882 -7.498 -8.283 1.00 0.00 C ATOM 0 H PHE A 32 10.641 -7.812 -13.065 1.00 0.00 H new ATOM 0 HA PHE A 32 8.772 -6.038 -14.224 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.339 -5.568 -12.341 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.200 -7.273 -12.720 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.268 -8.968 -11.250 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.270 -4.829 -10.246 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.847 -9.534 -8.931 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.849 -5.391 -7.926 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.134 -7.746 -7.262 1.00 0.00 H new ATOM 446 N ASN A 33 9.958 -4.154 -13.026 1.00 0.00 N ATOM 447 CA ASN A 33 10.858 -3.115 -12.540 1.00 0.00 C ATOM 448 C ASN A 33 10.236 -2.360 -11.369 1.00 0.00 C ATOM 449 O ASN A 33 9.014 -2.238 -11.275 1.00 0.00 O ATOM 450 CB ASN A 33 11.198 -2.138 -13.668 1.00 0.00 C ATOM 451 CG ASN A 33 12.124 -1.027 -13.211 1.00 0.00 C ATOM 452 OD1 ASN A 33 13.002 -1.241 -12.374 1.00 0.00 O ATOM 453 ND2 ASN A 33 11.932 0.166 -13.760 1.00 0.00 N ATOM 0 H ASN A 33 9.225 -3.818 -13.651 1.00 0.00 H new ATOM 0 HA ASN A 33 11.774 -3.595 -12.194 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.666 -2.683 -14.488 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.278 -1.703 -14.058 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.524 0.952 -13.492 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.192 0.297 -14.450 1.00 0.00 H new ATOM 460 N ILE A 34 11.085 -1.856 -10.480 1.00 0.00 N ATOM 461 CA ILE A 34 10.619 -1.112 -9.316 1.00 0.00 C ATOM 462 C ILE A 34 11.234 0.283 -9.273 1.00 0.00 C ATOM 463 O ILE A 34 12.253 0.544 -9.913 1.00 0.00 O ATOM 464 CB ILE A 34 10.953 -1.849 -8.006 1.00 0.00 C ATOM 465 CG1 ILE A 34 12.444 -2.187 -7.951 1.00 0.00 C ATOM 466 CG2 ILE A 34 10.113 -3.112 -7.880 1.00 0.00 C ATOM 467 CD1 ILE A 34 12.932 -2.542 -6.564 1.00 0.00 C ATOM 0 H ILE A 34 12.099 -1.949 -10.543 1.00 0.00 H new ATOM 0 HA ILE A 34 9.536 -1.026 -9.409 1.00 0.00 H new ATOM 0 HB ILE A 34 10.717 -1.194 -7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.644 -3.022 -8.623 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.015 -1.336 -8.322 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.360 -3.622 -6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.056 -2.847 -7.879 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.321 -3.773 -8.722 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.997 -2.770 -6.600 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.764 -1.700 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.387 -3.412 -6.198 1.00 0.00 H new ATOM 479 N VAL A 35 10.610 1.176 -8.511 1.00 0.00 N ATOM 480 CA VAL A 35 11.098 2.543 -8.381 1.00 0.00 C ATOM 481 C VAL A 35 11.154 2.970 -6.918 1.00 0.00 C ATOM 482 O VAL A 35 10.139 2.981 -6.224 1.00 0.00 O ATOM 483 CB VAL A 35 10.209 3.533 -9.158 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.406 3.363 -10.657 1.00 0.00 C ATOM 485 CG2 VAL A 35 8.748 3.347 -8.779 1.00 0.00 C ATOM 0 H VAL A 35 9.766 0.977 -7.975 1.00 0.00 H new ATOM 0 HA VAL A 35 12.104 2.561 -8.801 1.00 0.00 H new ATOM 0 HB VAL A 35 10.503 4.548 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.770 4.070 -11.190 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.449 3.551 -10.910 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.140 2.346 -10.946 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.134 4.054 -9.337 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.437 2.330 -9.017 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.624 3.523 -7.711 1.00 0.00 H new ATOM 495 N GLY A 36 12.351 3.320 -6.455 1.00 0.00 N ATOM 496 CA GLY A 36 12.518 3.743 -5.077 1.00 0.00 C ATOM 497 C GLY A 36 13.902 4.299 -4.805 1.00 0.00 C ATOM 498 O GLY A 36 14.750 4.334 -5.695 1.00 0.00 O ATOM 0 H GLY A 36 13.207 3.318 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.772 4.502 -4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.333 2.897 -4.415 1.00 0.00 H new ATOM 502 N GLY A 37 14.130 4.737 -3.571 1.00 0.00 N ATOM 503 CA GLY A 37 15.421 5.290 -3.207 1.00 0.00 C ATOM 504 C GLY A 37 15.332 6.744 -2.786 1.00 0.00 C ATOM 505 O GLY A 37 14.804 7.580 -3.521 1.00 0.00 O ATOM 0 H GLY A 37 13.444 4.719 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.847 4.705 -2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.102 5.201 -4.053 1.00 0.00 H new ATOM 509 N THR A 38 15.848 7.048 -1.600 1.00 0.00 N ATOM 510 CA THR A 38 15.822 8.410 -1.081 1.00 0.00 C ATOM 511 C THR A 38 16.226 9.415 -2.154 1.00 0.00 C ATOM 512 O THR A 38 15.882 10.594 -2.074 1.00 0.00 O ATOM 513 CB THR A 38 16.758 8.567 0.132 1.00 0.00 C ATOM 514 OG1 THR A 38 18.045 8.016 -0.168 1.00 0.00 O ATOM 515 CG2 THR A 38 16.178 7.877 1.357 1.00 0.00 C ATOM 0 H THR A 38 16.289 6.369 -0.980 1.00 0.00 H new ATOM 0 HA THR A 38 14.797 8.609 -0.768 1.00 0.00 H new ATOM 0 HB THR A 38 16.860 9.630 0.349 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.635 8.121 0.608 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.857 8.002 2.201 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.212 8.319 1.600 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.049 6.815 1.149 1.00 0.00 H new ATOM 523 N ASP A 39 16.955 8.940 -3.158 1.00 0.00 N ATOM 524 CA ASP A 39 17.405 9.797 -4.248 1.00 0.00 C ATOM 525 C ASP A 39 16.458 9.701 -5.441 1.00 0.00 C ATOM 526 O ASP A 39 16.213 10.689 -6.132 1.00 0.00 O ATOM 527 CB ASP A 39 18.822 9.415 -4.675 1.00 0.00 C ATOM 528 CG ASP A 39 19.884 10.165 -3.896 1.00 0.00 C ATOM 529 OD1 ASP A 39 19.715 10.328 -2.670 1.00 0.00 O ATOM 530 OD2 ASP A 39 20.884 10.590 -4.512 1.00 0.00 O ATOM 0 H ASP A 39 17.247 7.966 -3.239 1.00 0.00 H new ATOM 0 HA ASP A 39 17.407 10.826 -3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 39 18.963 8.343 -4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.945 9.618 -5.739 1.00 0.00 H new ATOM 535 N GLN A 40 15.929 8.504 -5.675 1.00 0.00 N ATOM 536 CA GLN A 40 15.011 8.279 -6.785 1.00 0.00 C ATOM 537 C GLN A 40 13.616 7.931 -6.275 1.00 0.00 C ATOM 538 O GLN A 40 12.899 7.143 -6.891 1.00 0.00 O ATOM 539 CB GLN A 40 15.532 7.158 -7.686 1.00 0.00 C ATOM 540 CG GLN A 40 16.925 7.417 -8.235 1.00 0.00 C ATOM 541 CD GLN A 40 16.903 8.147 -9.563 1.00 0.00 C ATOM 542 OE1 GLN A 40 16.900 9.377 -9.608 1.00 0.00 O ATOM 543 NE2 GLN A 40 16.889 7.390 -10.654 1.00 0.00 N ATOM 0 H GLN A 40 16.120 7.676 -5.111 1.00 0.00 H new ATOM 0 HA GLN A 40 14.947 9.200 -7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.540 6.225 -7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.842 7.022 -8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.493 8.003 -7.512 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.446 6.467 -8.356 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.892 6.374 -10.570 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.875 7.825 -11.576 1.00 0.00 H new ATOM 552 N GLN A 41 13.239 8.524 -5.147 1.00 0.00 N ATOM 553 CA GLN A 41 11.930 8.275 -4.554 1.00 0.00 C ATOM 554 C GLN A 41 10.814 8.716 -5.495 1.00 0.00 C ATOM 555 O GLN A 41 10.693 9.897 -5.821 1.00 0.00 O ATOM 556 CB GLN A 41 11.804 9.007 -3.217 1.00 0.00 C ATOM 557 CG GLN A 41 12.616 10.291 -3.148 1.00 0.00 C ATOM 558 CD GLN A 41 12.045 11.289 -2.160 1.00 0.00 C ATOM 559 OE1 GLN A 41 11.273 10.796 -1.199 1.00 0.00 O flip ATOM 560 NE2 GLN A 41 12.295 12.490 -2.259 1.00 0.00 N flip ATOM 0 H GLN A 41 13.821 9.180 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 41 11.835 7.203 -4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.755 9.240 -3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.124 8.341 -2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.642 10.053 -2.867 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.654 10.746 -4.138 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.894 12.826 -3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.904 13.150 -1.586 1.00 0.00 H new ATOM 569 N TYR A 42 10.001 7.759 -5.930 1.00 0.00 N ATOM 570 CA TYR A 42 8.896 8.049 -6.836 1.00 0.00 C ATOM 571 C TYR A 42 8.218 9.364 -6.466 1.00 0.00 C ATOM 572 O TYR A 42 7.793 10.124 -7.337 1.00 0.00 O ATOM 573 CB TYR A 42 7.874 6.910 -6.809 1.00 0.00 C ATOM 574 CG TYR A 42 7.001 6.850 -8.041 1.00 0.00 C ATOM 575 CD1 TYR A 42 7.467 6.281 -9.220 1.00 0.00 C ATOM 576 CD2 TYR A 42 5.709 7.362 -8.027 1.00 0.00 C ATOM 577 CE1 TYR A 42 6.673 6.224 -10.349 1.00 0.00 C ATOM 578 CE2 TYR A 42 4.907 7.309 -9.151 1.00 0.00 C ATOM 579 CZ TYR A 42 5.394 6.740 -10.309 1.00 0.00 C ATOM 580 OH TYR A 42 4.599 6.684 -11.431 1.00 0.00 O ATOM 0 H TYR A 42 10.087 6.776 -5.670 1.00 0.00 H new ATOM 0 HA TYR A 42 9.301 8.141 -7.844 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.402 5.962 -6.702 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.240 7.023 -5.930 1.00 0.00 H new ATOM 0 HD1 TYR A 42 8.468 5.876 -9.254 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.325 7.809 -7.122 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.051 5.778 -11.257 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.905 7.711 -9.123 1.00 0.00 H new ATOM 0 HH TYR A 42 3.728 7.089 -11.236 1.00 0.00 H new ATOM 590 N VAL A 43 8.121 9.628 -5.167 1.00 0.00 N ATOM 591 CA VAL A 43 7.497 10.852 -4.680 1.00 0.00 C ATOM 592 C VAL A 43 8.402 11.573 -3.688 1.00 0.00 C ATOM 593 O VAL A 43 8.938 10.962 -2.763 1.00 0.00 O ATOM 594 CB VAL A 43 6.143 10.561 -4.005 1.00 0.00 C ATOM 595 CG1 VAL A 43 5.380 11.854 -3.760 1.00 0.00 C ATOM 596 CG2 VAL A 43 5.322 9.600 -4.851 1.00 0.00 C ATOM 0 H VAL A 43 8.467 9.010 -4.433 1.00 0.00 H new ATOM 0 HA VAL A 43 7.333 11.491 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 43 6.331 10.090 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.426 11.629 -3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.966 12.505 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.200 12.356 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.369 9.406 -4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.141 10.041 -5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.867 8.663 -4.970 1.00 0.00 H new ATOM 606 N SER A 44 8.568 12.877 -3.886 1.00 0.00 N ATOM 607 CA SER A 44 9.412 13.682 -3.011 1.00 0.00 C ATOM 608 C SER A 44 8.943 13.583 -1.562 1.00 0.00 C ATOM 609 O SER A 44 9.707 13.837 -0.632 1.00 0.00 O ATOM 610 CB SER A 44 9.404 15.143 -3.462 1.00 0.00 C ATOM 611 OG SER A 44 9.870 15.268 -4.795 1.00 0.00 O ATOM 0 H SER A 44 8.129 13.398 -4.645 1.00 0.00 H new ATOM 0 HA SER A 44 10.429 13.296 -3.073 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.393 15.544 -3.388 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.032 15.736 -2.797 1.00 0.00 H new ATOM 0 HG SER A 44 9.854 16.211 -5.060 1.00 0.00 H new ATOM 617 N ASN A 45 7.679 13.212 -1.381 1.00 0.00 N ATOM 618 CA ASN A 45 7.106 13.079 -0.046 1.00 0.00 C ATOM 619 C ASN A 45 6.983 11.611 0.350 1.00 0.00 C ATOM 620 O ASN A 45 6.537 11.290 1.452 1.00 0.00 O ATOM 621 CB ASN A 45 5.733 13.751 0.011 1.00 0.00 C ATOM 622 CG ASN A 45 5.776 15.196 -0.447 1.00 0.00 C ATOM 623 OD1 ASN A 45 5.691 15.483 -1.641 1.00 0.00 O ATOM 624 ND2 ASN A 45 5.911 16.114 0.503 1.00 0.00 N ATOM 0 H ASN A 45 7.033 12.998 -2.141 1.00 0.00 H new ATOM 0 HA ASN A 45 7.774 13.572 0.660 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.034 13.196 -0.614 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.353 13.708 1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.948 17.103 0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.978 15.830 1.480 1.00 0.00 H new ATOM 631 N ASP A 46 7.383 10.724 -0.555 1.00 0.00 N ATOM 632 CA ASP A 46 7.320 9.290 -0.300 1.00 0.00 C ATOM 633 C ASP A 46 8.633 8.612 -0.679 1.00 0.00 C ATOM 634 O ASP A 46 8.963 8.492 -1.859 1.00 0.00 O ATOM 635 CB ASP A 46 6.164 8.662 -1.080 1.00 0.00 C ATOM 636 CG ASP A 46 5.596 7.438 -0.389 1.00 0.00 C ATOM 637 OD1 ASP A 46 6.393 6.600 0.083 1.00 0.00 O ATOM 638 OD2 ASP A 46 4.355 7.319 -0.319 1.00 0.00 O ATOM 0 H ASP A 46 7.754 10.973 -1.472 1.00 0.00 H new ATOM 0 HA ASP A 46 7.151 9.143 0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.374 9.401 -1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.510 8.386 -2.076 1.00 0.00 H new ATOM 643 N SER A 47 9.379 8.173 0.330 1.00 0.00 N ATOM 644 CA SER A 47 10.659 7.512 0.102 1.00 0.00 C ATOM 645 C SER A 47 10.505 5.995 0.161 1.00 0.00 C ATOM 646 O SER A 47 11.305 5.302 0.787 1.00 0.00 O ATOM 647 CB SER A 47 11.686 7.971 1.139 1.00 0.00 C ATOM 648 OG SER A 47 11.741 9.386 1.210 1.00 0.00 O ATOM 0 H SER A 47 9.119 8.263 1.312 1.00 0.00 H new ATOM 0 HA SER A 47 11.009 7.787 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.427 7.564 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.669 7.578 0.880 1.00 0.00 H new ATOM 0 HG SER A 47 11.566 9.765 0.323 1.00 0.00 H new ATOM 654 N GLY A 48 9.468 5.486 -0.498 1.00 0.00 N ATOM 655 CA GLY A 48 9.226 4.055 -0.509 1.00 0.00 C ATOM 656 C GLY A 48 9.522 3.427 -1.857 1.00 0.00 C ATOM 657 O GLY A 48 9.906 4.119 -2.800 1.00 0.00 O ATOM 0 H GLY A 48 8.792 6.039 -1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.843 3.579 0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.187 3.863 -0.243 1.00 0.00 H new ATOM 661 N ILE A 49 9.345 2.114 -1.948 1.00 0.00 N ATOM 662 CA ILE A 49 9.596 1.394 -3.190 1.00 0.00 C ATOM 663 C ILE A 49 8.290 1.012 -3.879 1.00 0.00 C ATOM 664 O ILE A 49 7.389 0.450 -3.256 1.00 0.00 O ATOM 665 CB ILE A 49 10.425 0.119 -2.944 1.00 0.00 C ATOM 666 CG1 ILE A 49 11.454 0.359 -1.838 1.00 0.00 C ATOM 667 CG2 ILE A 49 11.111 -0.323 -4.227 1.00 0.00 C ATOM 668 CD1 ILE A 49 12.314 1.582 -2.068 1.00 0.00 C ATOM 0 H ILE A 49 9.029 1.527 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 49 10.161 2.067 -3.835 1.00 0.00 H new ATOM 0 HB ILE A 49 9.753 -0.677 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 49 10.934 0.464 -0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 49 12.097 -0.517 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.693 -1.225 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.359 -0.530 -4.989 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.773 0.469 -4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 49 13.020 1.690 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 49 12.862 1.471 -3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.681 2.467 -2.121 1.00 0.00 H new ATOM 680 N TYR A 50 8.196 1.321 -5.167 1.00 0.00 N ATOM 681 CA TYR A 50 6.999 1.012 -5.941 1.00 0.00 C ATOM 682 C TYR A 50 7.349 0.194 -7.181 1.00 0.00 C ATOM 683 O TYR A 50 8.506 -0.169 -7.394 1.00 0.00 O ATOM 684 CB TYR A 50 6.285 2.300 -6.352 1.00 0.00 C ATOM 685 CG TYR A 50 5.877 3.166 -5.181 1.00 0.00 C ATOM 686 CD1 TYR A 50 6.811 3.942 -4.506 1.00 0.00 C ATOM 687 CD2 TYR A 50 4.557 3.208 -4.749 1.00 0.00 C ATOM 688 CE1 TYR A 50 6.444 4.733 -3.436 1.00 0.00 C ATOM 689 CE2 TYR A 50 4.179 3.998 -3.681 1.00 0.00 C ATOM 690 CZ TYR A 50 5.126 4.758 -3.027 1.00 0.00 C ATOM 691 OH TYR A 50 4.756 5.547 -1.961 1.00 0.00 O ATOM 0 H TYR A 50 8.934 1.785 -5.697 1.00 0.00 H new ATOM 0 HA TYR A 50 6.333 0.420 -5.312 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.939 2.875 -7.008 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.398 2.045 -6.931 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.843 3.926 -4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.813 2.612 -5.257 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.184 5.329 -2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.148 4.020 -3.360 1.00 0.00 H new ATOM 0 HH TYR A 50 3.885 5.957 -2.144 1.00 0.00 H new ATOM 701 N VAL A 51 6.340 -0.092 -7.997 1.00 0.00 N ATOM 702 CA VAL A 51 6.539 -0.866 -9.217 1.00 0.00 C ATOM 703 C VAL A 51 6.353 0.004 -10.455 1.00 0.00 C ATOM 704 O VAL A 51 5.279 0.562 -10.679 1.00 0.00 O ATOM 705 CB VAL A 51 5.567 -2.058 -9.290 1.00 0.00 C ATOM 706 CG1 VAL A 51 5.872 -2.922 -10.505 1.00 0.00 C ATOM 707 CG2 VAL A 51 5.635 -2.880 -8.012 1.00 0.00 C ATOM 0 H VAL A 51 5.376 0.201 -7.836 1.00 0.00 H new ATOM 0 HA VAL A 51 7.562 -1.242 -9.191 1.00 0.00 H new ATOM 0 HB VAL A 51 4.553 -1.672 -9.393 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.175 -3.759 -10.540 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.768 -2.325 -11.411 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.892 -3.301 -10.435 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.942 -3.718 -8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.648 -3.258 -7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.364 -2.254 -7.162 1.00 0.00 H new ATOM 717 N SER A 52 7.406 0.115 -11.258 1.00 0.00 N ATOM 718 CA SER A 52 7.361 0.919 -12.473 1.00 0.00 C ATOM 719 C SER A 52 6.627 0.179 -13.587 1.00 0.00 C ATOM 720 O SER A 52 5.666 0.693 -14.160 1.00 0.00 O ATOM 721 CB SER A 52 8.778 1.275 -12.928 1.00 0.00 C ATOM 722 OG SER A 52 8.754 2.020 -14.133 1.00 0.00 O ATOM 0 H SER A 52 8.302 -0.342 -11.089 1.00 0.00 H new ATOM 0 HA SER A 52 6.818 1.837 -12.251 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.279 1.851 -12.150 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.357 0.363 -13.072 1.00 0.00 H new ATOM 0 HG SER A 52 9.671 2.237 -14.402 1.00 0.00 H new ATOM 728 N ARG A 53 7.088 -1.030 -13.889 1.00 0.00 N ATOM 729 CA ARG A 53 6.478 -1.841 -14.936 1.00 0.00 C ATOM 730 C ARG A 53 6.579 -3.326 -14.601 1.00 0.00 C ATOM 731 O ARG A 53 7.412 -3.735 -13.792 1.00 0.00 O ATOM 732 CB ARG A 53 7.150 -1.564 -16.282 1.00 0.00 C ATOM 733 CG ARG A 53 6.223 -1.743 -17.473 1.00 0.00 C ATOM 734 CD ARG A 53 5.328 -0.529 -17.670 1.00 0.00 C ATOM 735 NE ARG A 53 4.133 -0.850 -18.447 1.00 0.00 N ATOM 736 CZ ARG A 53 3.360 0.067 -19.017 1.00 0.00 C ATOM 737 NH1 ARG A 53 3.653 1.354 -18.898 1.00 0.00 N ATOM 738 NH2 ARG A 53 2.290 -0.303 -19.709 1.00 0.00 N ATOM 0 H ARG A 53 7.882 -1.470 -13.424 1.00 0.00 H new ATOM 0 HA ARG A 53 5.424 -1.572 -15.002 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.536 -0.545 -16.283 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.006 -2.229 -16.395 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.814 -1.911 -18.373 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.607 -2.630 -17.326 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.033 -0.135 -16.698 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.889 0.257 -18.176 1.00 0.00 H new ATOM 0 HE ARG A 53 3.879 -1.832 -18.558 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.475 1.643 -18.367 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.057 2.055 -19.337 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.061 -1.292 -19.803 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.697 0.402 -20.147 1.00 0.00 H new ATOM 752 N ILE A 54 5.724 -4.128 -15.227 1.00 0.00 N ATOM 753 CA ILE A 54 5.718 -5.567 -14.996 1.00 0.00 C ATOM 754 C ILE A 54 5.773 -6.336 -16.312 1.00 0.00 C ATOM 755 O ILE A 54 4.852 -6.261 -17.126 1.00 0.00 O ATOM 756 CB ILE A 54 4.468 -6.005 -14.210 1.00 0.00 C ATOM 757 CG1 ILE A 54 4.546 -5.505 -12.766 1.00 0.00 C ATOM 758 CG2 ILE A 54 4.325 -7.520 -14.244 1.00 0.00 C ATOM 759 CD1 ILE A 54 3.316 -5.829 -11.947 1.00 0.00 C ATOM 0 H ILE A 54 5.027 -3.805 -15.898 1.00 0.00 H new ATOM 0 HA ILE A 54 6.606 -5.796 -14.407 1.00 0.00 H new ATOM 0 HB ILE A 54 3.588 -5.565 -14.680 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.419 -5.945 -12.284 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.695 -4.425 -12.771 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.437 -7.814 -13.684 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.230 -7.853 -15.277 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.206 -7.979 -13.795 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.441 -5.445 -10.935 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.442 -5.366 -12.405 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.177 -6.910 -11.910 1.00 0.00 H new ATOM 771 N LYS A 55 6.857 -7.077 -16.513 1.00 0.00 N ATOM 772 CA LYS A 55 7.032 -7.863 -17.728 1.00 0.00 C ATOM 773 C LYS A 55 5.816 -8.747 -17.984 1.00 0.00 C ATOM 774 O LYS A 55 5.086 -9.096 -17.058 1.00 0.00 O ATOM 775 CB LYS A 55 8.291 -8.727 -17.625 1.00 0.00 C ATOM 776 CG LYS A 55 9.566 -7.993 -18.005 1.00 0.00 C ATOM 777 CD LYS A 55 10.069 -7.122 -16.866 1.00 0.00 C ATOM 778 CE LYS A 55 11.478 -6.616 -17.132 1.00 0.00 C ATOM 779 NZ LYS A 55 12.509 -7.629 -16.772 1.00 0.00 N ATOM 0 H LYS A 55 7.628 -7.150 -15.849 1.00 0.00 H new ATOM 0 HA LYS A 55 7.140 -7.173 -18.564 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.385 -9.097 -16.604 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.177 -9.598 -18.270 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.335 -8.715 -18.279 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.383 -7.374 -18.884 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.397 -6.275 -16.730 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.055 -7.692 -15.937 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.577 -6.356 -18.186 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.650 -5.704 -16.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.456 -7.246 -16.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.431 -7.859 -15.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.361 -8.490 -17.335 1.00 0.00 H new ATOM 793 N GLU A 56 5.606 -9.106 -19.247 1.00 0.00 N ATOM 794 CA GLU A 56 4.478 -9.951 -19.623 1.00 0.00 C ATOM 795 C GLU A 56 4.835 -11.428 -19.486 1.00 0.00 C ATOM 796 O GLU A 56 4.031 -12.230 -19.014 1.00 0.00 O ATOM 797 CB GLU A 56 4.044 -9.650 -21.059 1.00 0.00 C ATOM 798 CG GLU A 56 2.907 -10.532 -21.548 1.00 0.00 C ATOM 799 CD GLU A 56 2.481 -10.201 -22.965 1.00 0.00 C ATOM 800 OE1 GLU A 56 3.288 -10.422 -23.893 1.00 0.00 O ATOM 801 OE2 GLU A 56 1.342 -9.722 -23.147 1.00 0.00 O ATOM 0 H GLU A 56 6.201 -8.825 -20.026 1.00 0.00 H new ATOM 0 HA GLU A 56 3.651 -9.732 -18.948 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.738 -8.606 -21.126 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.900 -9.774 -21.722 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.216 -11.576 -21.500 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.053 -10.421 -20.880 1.00 0.00 H new ATOM 808 N ASN A 57 6.047 -11.779 -19.904 1.00 0.00 N ATOM 809 CA ASN A 57 6.511 -13.160 -19.829 1.00 0.00 C ATOM 810 C ASN A 57 7.467 -13.350 -18.655 1.00 0.00 C ATOM 811 O ASN A 57 8.479 -14.040 -18.770 1.00 0.00 O ATOM 812 CB ASN A 57 7.204 -13.558 -21.134 1.00 0.00 C ATOM 813 CG ASN A 57 6.381 -13.202 -22.357 1.00 0.00 C ATOM 814 OD1 ASN A 57 6.628 -12.189 -23.012 1.00 0.00 O ATOM 815 ND2 ASN A 57 5.397 -14.036 -22.671 1.00 0.00 N ATOM 0 H ASN A 57 6.725 -11.127 -20.298 1.00 0.00 H new ATOM 0 HA ASN A 57 5.643 -13.801 -19.675 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.173 -13.062 -21.194 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.396 -14.631 -21.128 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.810 -13.849 -23.484 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.228 -14.864 -22.100 1.00 0.00 H new ATOM 822 N GLY A 58 7.136 -12.733 -17.524 1.00 0.00 N ATOM 823 CA GLY A 58 7.974 -12.847 -16.345 1.00 0.00 C ATOM 824 C GLY A 58 7.306 -13.632 -15.233 1.00 0.00 C ATOM 825 O GLY A 58 6.164 -14.068 -15.371 1.00 0.00 O ATOM 0 H GLY A 58 6.303 -12.157 -17.404 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.912 -13.332 -16.615 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.224 -11.850 -15.982 1.00 0.00 H new ATOM 829 N ALA A 59 8.021 -13.814 -14.127 1.00 0.00 N ATOM 830 CA ALA A 59 7.490 -14.551 -12.987 1.00 0.00 C ATOM 831 C ALA A 59 6.255 -13.863 -12.415 1.00 0.00 C ATOM 832 O ALA A 59 5.199 -14.479 -12.277 1.00 0.00 O ATOM 833 CB ALA A 59 8.558 -14.702 -11.914 1.00 0.00 C ATOM 0 H ALA A 59 8.969 -13.461 -13.997 1.00 0.00 H new ATOM 0 HA ALA A 59 7.194 -15.542 -13.332 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.148 -15.254 -11.068 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.410 -15.244 -12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.881 -13.716 -11.581 1.00 0.00 H new ATOM 839 N ALA A 60 6.396 -12.584 -12.084 1.00 0.00 N ATOM 840 CA ALA A 60 5.292 -11.812 -11.528 1.00 0.00 C ATOM 841 C ALA A 60 4.082 -11.839 -12.457 1.00 0.00 C ATOM 842 O ALA A 60 2.939 -11.880 -12.002 1.00 0.00 O ATOM 843 CB ALA A 60 5.728 -10.378 -11.267 1.00 0.00 C ATOM 0 H ALA A 60 7.265 -12.060 -12.191 1.00 0.00 H new ATOM 0 HA ALA A 60 5.002 -12.269 -10.582 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.893 -9.814 -10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.557 -10.373 -10.559 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.047 -9.919 -12.203 1.00 0.00 H new ATOM 849 N ALA A 61 4.341 -11.814 -13.760 1.00 0.00 N ATOM 850 CA ALA A 61 3.274 -11.836 -14.752 1.00 0.00 C ATOM 851 C ALA A 61 2.599 -13.203 -14.802 1.00 0.00 C ATOM 852 O ALA A 61 1.400 -13.325 -14.547 1.00 0.00 O ATOM 853 CB ALA A 61 3.819 -11.464 -16.123 1.00 0.00 C ATOM 0 H ALA A 61 5.281 -11.778 -14.153 1.00 0.00 H new ATOM 0 HA ALA A 61 2.525 -11.100 -14.460 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.011 -11.485 -16.854 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.248 -10.463 -16.085 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.590 -12.178 -16.414 1.00 0.00 H new ATOM 859 N LEU A 62 3.376 -14.229 -15.132 1.00 0.00 N ATOM 860 CA LEU A 62 2.854 -15.589 -15.217 1.00 0.00 C ATOM 861 C LEU A 62 1.879 -15.869 -14.077 1.00 0.00 C ATOM 862 O LEU A 62 0.729 -16.243 -14.308 1.00 0.00 O ATOM 863 CB LEU A 62 4.001 -16.600 -15.182 1.00 0.00 C ATOM 864 CG LEU A 62 4.925 -16.609 -16.401 1.00 0.00 C ATOM 865 CD1 LEU A 62 6.300 -17.138 -16.024 1.00 0.00 C ATOM 866 CD2 LEU A 62 4.319 -17.440 -17.523 1.00 0.00 C ATOM 0 H LEU A 62 4.370 -14.145 -15.345 1.00 0.00 H new ATOM 0 HA LEU A 62 2.319 -15.689 -16.162 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.604 -16.405 -14.295 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.577 -17.597 -15.065 1.00 0.00 H new ATOM 0 HG LEU A 62 5.038 -15.585 -16.756 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.944 -17.137 -16.904 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.736 -16.501 -15.254 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.207 -18.155 -15.644 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.990 -17.435 -18.382 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.176 -18.465 -17.180 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.357 -17.016 -17.811 1.00 0.00 H new ATOM 878 N ASP A 63 2.346 -15.683 -12.847 1.00 0.00 N ATOM 879 CA ASP A 63 1.515 -15.913 -11.671 1.00 0.00 C ATOM 880 C ASP A 63 0.468 -14.814 -11.523 1.00 0.00 C ATOM 881 O ASP A 63 -0.680 -15.079 -11.168 1.00 0.00 O ATOM 882 CB ASP A 63 2.382 -15.982 -10.413 1.00 0.00 C ATOM 883 CG ASP A 63 1.787 -16.884 -9.349 1.00 0.00 C ATOM 884 OD1 ASP A 63 0.985 -17.772 -9.705 1.00 0.00 O ATOM 885 OD2 ASP A 63 2.125 -16.702 -8.161 1.00 0.00 O ATOM 0 H ASP A 63 3.295 -15.374 -12.639 1.00 0.00 H new ATOM 0 HA ASP A 63 1.000 -16.865 -11.800 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.375 -16.345 -10.679 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.507 -14.979 -10.006 1.00 0.00 H new ATOM 890 N GLY A 64 0.872 -13.577 -11.796 1.00 0.00 N ATOM 891 CA GLY A 64 -0.042 -12.456 -11.686 1.00 0.00 C ATOM 892 C GLY A 64 -0.259 -12.023 -10.250 1.00 0.00 C ATOM 893 O GLY A 64 -1.291 -11.440 -9.919 1.00 0.00 O ATOM 0 H GLY A 64 1.817 -13.332 -12.092 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.348 -11.616 -12.260 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.000 -12.728 -12.129 1.00 0.00 H new ATOM 897 N ARG A 65 0.717 -12.309 -9.394 1.00 0.00 N ATOM 898 CA ARG A 65 0.627 -11.948 -7.984 1.00 0.00 C ATOM 899 C ARG A 65 0.778 -10.441 -7.798 1.00 0.00 C ATOM 900 O ARG A 65 -0.142 -9.767 -7.333 1.00 0.00 O ATOM 901 CB ARG A 65 1.701 -12.682 -7.178 1.00 0.00 C ATOM 902 CG ARG A 65 1.452 -14.176 -7.052 1.00 0.00 C ATOM 903 CD ARG A 65 0.128 -14.464 -6.362 1.00 0.00 C ATOM 904 NE ARG A 65 0.041 -13.821 -5.054 1.00 0.00 N ATOM 905 CZ ARG A 65 -0.753 -14.247 -4.077 1.00 0.00 C ATOM 906 NH1 ARG A 65 -1.522 -15.311 -4.261 1.00 0.00 N ATOM 907 NH2 ARG A 65 -0.776 -13.609 -2.914 1.00 0.00 N ATOM 0 H ARG A 65 1.579 -12.789 -9.652 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.357 -12.245 -7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.670 -12.522 -7.650 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.756 -12.246 -6.181 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.454 -14.631 -8.042 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.264 -14.635 -6.489 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.692 -14.117 -6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.007 -15.541 -6.245 1.00 0.00 H new ATOM 0 HE ARG A 65 0.621 -13.000 -4.881 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.505 -15.804 -5.154 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.131 -15.636 -3.510 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.184 -12.791 -2.769 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.386 -13.936 -2.165 1.00 0.00 H new ATOM 921 N LEU A 66 1.943 -9.918 -8.164 1.00 0.00 N ATOM 922 CA LEU A 66 2.215 -8.491 -8.038 1.00 0.00 C ATOM 923 C LEU A 66 1.614 -7.716 -9.207 1.00 0.00 C ATOM 924 O LEU A 66 1.563 -8.214 -10.331 1.00 0.00 O ATOM 925 CB LEU A 66 3.722 -8.243 -7.967 1.00 0.00 C ATOM 926 CG LEU A 66 4.169 -6.785 -8.079 1.00 0.00 C ATOM 927 CD1 LEU A 66 4.025 -6.078 -6.740 1.00 0.00 C ATOM 928 CD2 LEU A 66 5.605 -6.703 -8.575 1.00 0.00 C ATOM 0 H LEU A 66 2.715 -10.461 -8.551 1.00 0.00 H new ATOM 0 HA LEU A 66 1.752 -8.138 -7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.092 -8.644 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.201 -8.811 -8.764 1.00 0.00 H new ATOM 0 HG LEU A 66 3.527 -6.283 -8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.348 -5.042 -6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.982 -6.105 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.642 -6.580 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.905 -5.658 -8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.262 -7.221 -7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.678 -7.171 -9.557 1.00 0.00 H new ATOM 940 N GLN A 67 1.164 -6.496 -8.933 1.00 0.00 N ATOM 941 CA GLN A 67 0.569 -5.653 -9.963 1.00 0.00 C ATOM 942 C GLN A 67 1.196 -4.262 -9.957 1.00 0.00 C ATOM 943 O GLN A 67 1.497 -3.712 -8.898 1.00 0.00 O ATOM 944 CB GLN A 67 -0.942 -5.546 -9.754 1.00 0.00 C ATOM 945 CG GLN A 67 -1.330 -4.971 -8.401 1.00 0.00 C ATOM 946 CD GLN A 67 -2.826 -4.779 -8.255 1.00 0.00 C ATOM 947 OE1 GLN A 67 -3.309 -3.655 -8.113 1.00 0.00 O ATOM 948 NE2 GLN A 67 -3.570 -5.879 -8.290 1.00 0.00 N ATOM 0 H GLN A 67 1.200 -6.069 -8.007 1.00 0.00 H new ATOM 0 HA GLN A 67 0.762 -6.114 -10.931 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.366 -4.921 -10.540 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.386 -6.536 -9.860 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.974 -5.635 -7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.829 -4.013 -8.261 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.128 -6.790 -8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.584 -5.812 -8.197 1.00 0.00 H new ATOM 957 N GLU A 68 1.389 -3.700 -11.146 1.00 0.00 N ATOM 958 CA GLU A 68 1.980 -2.374 -11.277 1.00 0.00 C ATOM 959 C GLU A 68 1.312 -1.384 -10.327 1.00 0.00 C ATOM 960 O GLU A 68 0.178 -1.589 -9.897 1.00 0.00 O ATOM 961 CB GLU A 68 1.858 -1.876 -12.718 1.00 0.00 C ATOM 962 CG GLU A 68 2.927 -2.428 -13.646 1.00 0.00 C ATOM 963 CD GLU A 68 2.813 -1.885 -15.057 1.00 0.00 C ATOM 964 OE1 GLU A 68 2.437 -0.704 -15.210 1.00 0.00 O ATOM 965 OE2 GLU A 68 3.100 -2.641 -16.008 1.00 0.00 O ATOM 0 H GLU A 68 1.145 -4.142 -12.032 1.00 0.00 H new ATOM 0 HA GLU A 68 3.035 -2.448 -11.014 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.876 -2.149 -13.106 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.912 -0.787 -12.723 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.911 -2.184 -13.246 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.854 -3.515 -13.672 1.00 0.00 H new ATOM 972 N GLY A 69 2.026 -0.310 -10.002 1.00 0.00 N ATOM 973 CA GLY A 69 1.487 0.695 -9.105 1.00 0.00 C ATOM 974 C GLY A 69 1.537 0.263 -7.653 1.00 0.00 C ATOM 975 O GLY A 69 1.038 0.964 -6.772 1.00 0.00 O ATOM 0 H GLY A 69 2.968 -0.118 -10.344 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.047 1.622 -9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.455 0.909 -9.382 1.00 0.00 H new ATOM 979 N ASP A 70 2.138 -0.895 -7.403 1.00 0.00 N ATOM 980 CA ASP A 70 2.250 -1.420 -6.047 1.00 0.00 C ATOM 981 C ASP A 70 3.357 -0.706 -5.277 1.00 0.00 C ATOM 982 O ASP A 70 4.276 -0.141 -5.871 1.00 0.00 O ATOM 983 CB ASP A 70 2.526 -2.924 -6.081 1.00 0.00 C ATOM 984 CG ASP A 70 1.252 -3.746 -6.092 1.00 0.00 C ATOM 985 OD1 ASP A 70 0.198 -3.202 -6.484 1.00 0.00 O ATOM 986 OD2 ASP A 70 1.307 -4.933 -5.708 1.00 0.00 O ATOM 0 H ASP A 70 2.555 -1.488 -8.121 1.00 0.00 H new ATOM 0 HA ASP A 70 1.304 -1.243 -5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.116 -3.162 -6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.126 -3.200 -5.214 1.00 0.00 H new ATOM 991 N LYS A 71 3.261 -0.733 -3.952 1.00 0.00 N ATOM 992 CA LYS A 71 4.253 -0.088 -3.100 1.00 0.00 C ATOM 993 C LYS A 71 4.885 -1.095 -2.144 1.00 0.00 C ATOM 994 O LYS A 71 4.384 -1.317 -1.041 1.00 0.00 O ATOM 995 CB LYS A 71 3.610 1.051 -2.306 1.00 0.00 C ATOM 996 CG LYS A 71 4.618 1.964 -1.628 1.00 0.00 C ATOM 997 CD LYS A 71 5.074 1.397 -0.294 1.00 0.00 C ATOM 998 CE LYS A 71 5.845 2.429 0.515 1.00 0.00 C ATOM 999 NZ LYS A 71 6.854 1.793 1.407 1.00 0.00 N ATOM 0 H LYS A 71 2.506 -1.195 -3.445 1.00 0.00 H new ATOM 0 HA LYS A 71 5.035 0.320 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.988 1.644 -2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.949 0.628 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.481 2.103 -2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.174 2.947 -1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.207 1.060 0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.703 0.523 -0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.344 3.122 -0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.148 3.015 1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.589 2.487 1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.389 1.462 2.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.289 0.985 0.918 1.00 0.00 H new ATOM 1013 N ILE A 72 5.988 -1.699 -2.573 1.00 0.00 N ATOM 1014 CA ILE A 72 6.689 -2.680 -1.753 1.00 0.00 C ATOM 1015 C ILE A 72 7.139 -2.070 -0.430 1.00 0.00 C ATOM 1016 O ILE A 72 8.229 -1.503 -0.334 1.00 0.00 O ATOM 1017 CB ILE A 72 7.917 -3.251 -2.486 1.00 0.00 C ATOM 1018 CG1 ILE A 72 7.491 -3.925 -3.792 1.00 0.00 C ATOM 1019 CG2 ILE A 72 8.657 -4.236 -1.592 1.00 0.00 C ATOM 1020 CD1 ILE A 72 8.576 -3.940 -4.846 1.00 0.00 C ATOM 0 H ILE A 72 6.415 -1.527 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 72 5.985 -3.488 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 72 8.592 -2.430 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.187 -4.950 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.617 -3.409 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.522 -4.631 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.989 -3.727 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.991 -5.056 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.204 -4.433 -5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.864 -2.917 -5.086 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.443 -4.481 -4.468 1.00 0.00 H new ATOM 1032 N LEU A 73 6.295 -2.190 0.588 1.00 0.00 N ATOM 1033 CA LEU A 73 6.606 -1.652 1.908 1.00 0.00 C ATOM 1034 C LEU A 73 7.899 -2.253 2.450 1.00 0.00 C ATOM 1035 O LEU A 73 8.866 -1.538 2.712 1.00 0.00 O ATOM 1036 CB LEU A 73 5.456 -1.928 2.878 1.00 0.00 C ATOM 1037 CG LEU A 73 4.063 -1.513 2.402 1.00 0.00 C ATOM 1038 CD1 LEU A 73 2.997 -2.386 3.046 1.00 0.00 C ATOM 1039 CD2 LEU A 73 3.811 -0.044 2.711 1.00 0.00 C ATOM 0 H LEU A 73 5.389 -2.655 0.525 1.00 0.00 H new ATOM 0 HA LEU A 73 6.740 -0.575 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.440 -2.996 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.666 -1.413 3.815 1.00 0.00 H new ATOM 0 HG LEU A 73 4.012 -1.651 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.012 -2.076 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.167 -3.428 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.046 -2.280 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.815 0.235 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.881 0.119 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.556 0.568 2.202 1.00 0.00 H new ATOM 1051 N SER A 74 7.909 -3.572 2.615 1.00 0.00 N ATOM 1052 CA SER A 74 9.082 -4.270 3.128 1.00 0.00 C ATOM 1053 C SER A 74 9.297 -5.587 2.389 1.00 0.00 C ATOM 1054 O SER A 74 8.375 -6.126 1.776 1.00 0.00 O ATOM 1055 CB SER A 74 8.931 -4.532 4.628 1.00 0.00 C ATOM 1056 OG SER A 74 8.202 -3.492 5.256 1.00 0.00 O ATOM 0 H SER A 74 7.118 -4.179 2.401 1.00 0.00 H new ATOM 0 HA SER A 74 9.953 -3.635 2.964 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.422 -5.483 4.785 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.916 -4.618 5.086 1.00 0.00 H new ATOM 0 HG SER A 74 8.118 -3.683 6.213 1.00 0.00 H new ATOM 1062 N VAL A 75 10.522 -6.100 2.451 1.00 0.00 N ATOM 1063 CA VAL A 75 10.859 -7.355 1.789 1.00 0.00 C ATOM 1064 C VAL A 75 11.296 -8.409 2.799 1.00 0.00 C ATOM 1065 O VAL A 75 12.163 -8.160 3.636 1.00 0.00 O ATOM 1066 CB VAL A 75 11.980 -7.158 0.751 1.00 0.00 C ATOM 1067 CG1 VAL A 75 12.337 -8.482 0.092 1.00 0.00 C ATOM 1068 CG2 VAL A 75 11.568 -6.128 -0.290 1.00 0.00 C ATOM 0 H VAL A 75 11.297 -5.666 2.953 1.00 0.00 H new ATOM 0 HA VAL A 75 9.958 -7.696 1.280 1.00 0.00 H new ATOM 0 HB VAL A 75 12.866 -6.786 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.131 -8.323 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.678 -9.186 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.458 -8.887 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.372 -6.002 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.668 -6.468 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.369 -5.175 0.200 1.00 0.00 H new ATOM 1078 N ASN A 76 10.690 -9.589 2.715 1.00 0.00 N ATOM 1079 CA ASN A 76 11.017 -10.683 3.623 1.00 0.00 C ATOM 1080 C ASN A 76 11.120 -10.184 5.061 1.00 0.00 C ATOM 1081 O ASN A 76 12.002 -10.599 5.811 1.00 0.00 O ATOM 1082 CB ASN A 76 12.332 -11.345 3.205 1.00 0.00 C ATOM 1083 CG ASN A 76 12.128 -12.429 2.164 1.00 0.00 C ATOM 1084 OD1 ASN A 76 11.684 -13.533 2.481 1.00 0.00 O ATOM 1085 ND2 ASN A 76 12.453 -12.118 0.915 1.00 0.00 N ATOM 0 H ASN A 76 9.970 -9.812 2.028 1.00 0.00 H new ATOM 0 HA ASN A 76 10.215 -11.419 3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.007 -10.587 2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.815 -11.774 4.083 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.338 -12.807 0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.817 -11.190 0.699 1.00 0.00 H new ATOM 1092 N GLY A 77 10.211 -9.290 5.438 1.00 0.00 N ATOM 1093 CA GLY A 77 10.217 -8.750 6.785 1.00 0.00 C ATOM 1094 C GLY A 77 11.318 -7.729 6.995 1.00 0.00 C ATOM 1095 O GLY A 77 11.828 -7.578 8.105 1.00 0.00 O ATOM 0 H GLY A 77 9.471 -8.930 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.252 -8.287 6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.340 -9.564 7.499 1.00 0.00 H new ATOM 1099 N GLN A 78 11.685 -7.029 5.927 1.00 0.00 N ATOM 1100 CA GLN A 78 12.735 -6.019 6.000 1.00 0.00 C ATOM 1101 C GLN A 78 12.219 -4.663 5.531 1.00 0.00 C ATOM 1102 O GLN A 78 12.147 -4.396 4.332 1.00 0.00 O ATOM 1103 CB GLN A 78 13.937 -6.441 5.154 1.00 0.00 C ATOM 1104 CG GLN A 78 14.471 -7.822 5.501 1.00 0.00 C ATOM 1105 CD GLN A 78 15.690 -8.199 4.683 1.00 0.00 C ATOM 1106 OE1 GLN A 78 16.783 -7.674 4.898 1.00 0.00 O ATOM 1107 NE2 GLN A 78 15.510 -9.114 3.738 1.00 0.00 N ATOM 0 H GLN A 78 11.272 -7.142 5.001 1.00 0.00 H new ATOM 0 HA GLN A 78 13.046 -5.929 7.041 1.00 0.00 H new ATOM 0 HB2 GLN A 78 13.654 -6.424 4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.735 -5.710 5.281 1.00 0.00 H new ATOM 0 HG2 GLN A 78 14.725 -7.853 6.560 1.00 0.00 H new ATOM 0 HG3 GLN A 78 13.687 -8.562 5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 78 14.587 -9.523 3.594 1.00 0.00 H new ATOM 0 HE22 GLN A 78 16.295 -9.408 3.156 1.00 0.00 H new ATOM 1116 N ASP A 79 11.862 -3.810 6.485 1.00 0.00 N ATOM 1117 CA ASP A 79 11.353 -2.480 6.170 1.00 0.00 C ATOM 1118 C ASP A 79 12.342 -1.713 5.297 1.00 0.00 C ATOM 1119 O ASP A 79 13.530 -1.631 5.611 1.00 0.00 O ATOM 1120 CB ASP A 79 11.076 -1.699 7.455 1.00 0.00 C ATOM 1121 CG ASP A 79 9.677 -1.937 7.987 1.00 0.00 C ATOM 1122 OD1 ASP A 79 9.451 -2.993 8.614 1.00 0.00 O ATOM 1123 OD2 ASP A 79 8.807 -1.066 7.777 1.00 0.00 O ATOM 0 H ASP A 79 11.916 -4.016 7.483 1.00 0.00 H new ATOM 0 HA ASP A 79 10.421 -2.596 5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.804 -1.985 8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.214 -0.634 7.266 1.00 0.00 H new ATOM 1128 N LEU A 80 11.843 -1.154 4.199 1.00 0.00 N ATOM 1129 CA LEU A 80 12.683 -0.394 3.279 1.00 0.00 C ATOM 1130 C LEU A 80 12.632 1.096 3.601 1.00 0.00 C ATOM 1131 O LEU A 80 11.712 1.801 3.185 1.00 0.00 O ATOM 1132 CB LEU A 80 12.236 -0.632 1.836 1.00 0.00 C ATOM 1133 CG LEU A 80 12.362 -2.066 1.321 1.00 0.00 C ATOM 1134 CD1 LEU A 80 11.346 -2.330 0.221 1.00 0.00 C ATOM 1135 CD2 LEU A 80 13.774 -2.330 0.820 1.00 0.00 C ATOM 0 H LEU A 80 10.862 -1.213 3.925 1.00 0.00 H new ATOM 0 HA LEU A 80 13.711 -0.737 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 80 11.194 -0.325 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.819 0.019 1.184 1.00 0.00 H new ATOM 0 HG LEU A 80 12.157 -2.747 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.451 -3.356 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.339 -2.183 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.518 -1.641 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.846 -3.355 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 80 14.007 -1.641 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 80 14.483 -2.183 1.635 1.00 0.00 H new ATOM 1147 N LYS A 81 13.628 1.570 4.342 1.00 0.00 N ATOM 1148 CA LYS A 81 13.701 2.977 4.717 1.00 0.00 C ATOM 1149 C LYS A 81 15.142 3.476 4.684 1.00 0.00 C ATOM 1150 O LYS A 81 16.079 2.705 4.884 1.00 0.00 O ATOM 1151 CB LYS A 81 13.109 3.186 6.113 1.00 0.00 C ATOM 1152 CG LYS A 81 12.019 2.188 6.466 1.00 0.00 C ATOM 1153 CD LYS A 81 10.952 2.817 7.347 1.00 0.00 C ATOM 1154 CE LYS A 81 10.102 3.810 6.569 1.00 0.00 C ATOM 1155 NZ LYS A 81 9.597 4.909 7.438 1.00 0.00 N ATOM 0 H LYS A 81 14.396 1.000 4.695 1.00 0.00 H new ATOM 0 HA LYS A 81 13.121 3.550 3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.908 3.116 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.702 4.195 6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.561 1.809 5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.459 1.333 6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.314 2.036 7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.425 3.322 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.691 4.232 5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.259 3.289 6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.022 5.564 6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.014 4.509 8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.402 5.423 7.851 1.00 0.00 H new ATOM 1169 N ASN A 82 15.311 4.770 4.432 1.00 0.00 N ATOM 1170 CA ASN A 82 16.638 5.370 4.375 1.00 0.00 C ATOM 1171 C ASN A 82 17.577 4.533 3.511 1.00 0.00 C ATOM 1172 O ASN A 82 18.670 4.164 3.942 1.00 0.00 O ATOM 1173 CB ASN A 82 17.217 5.516 5.784 1.00 0.00 C ATOM 1174 CG ASN A 82 16.272 6.239 6.725 1.00 0.00 C ATOM 1175 OD1 ASN A 82 16.274 7.468 6.800 1.00 0.00 O ATOM 1176 ND2 ASN A 82 15.460 5.478 7.448 1.00 0.00 N ATOM 0 H ASN A 82 14.545 5.423 4.264 1.00 0.00 H new ATOM 0 HA ASN A 82 16.543 6.358 3.925 1.00 0.00 H new ATOM 0 HB2 ASN A 82 17.441 4.528 6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 82 18.160 6.060 5.732 1.00 0.00 H new ATOM 0 HD21 ASN A 82 14.803 5.908 8.099 1.00 0.00 H new ATOM 0 HD22 ASN A 82 15.493 4.463 7.353 1.00 0.00 H new ATOM 1183 N LEU A 83 17.144 4.239 2.291 1.00 0.00 N ATOM 1184 CA LEU A 83 17.946 3.446 1.365 1.00 0.00 C ATOM 1185 C LEU A 83 17.805 3.966 -0.062 1.00 0.00 C ATOM 1186 O LEU A 83 16.793 4.574 -0.415 1.00 0.00 O ATOM 1187 CB LEU A 83 17.527 1.976 1.427 1.00 0.00 C ATOM 1188 CG LEU A 83 16.022 1.706 1.437 1.00 0.00 C ATOM 1189 CD1 LEU A 83 15.381 2.216 0.156 1.00 0.00 C ATOM 1190 CD2 LEU A 83 15.748 0.220 1.618 1.00 0.00 C ATOM 0 H LEU A 83 16.242 4.537 1.919 1.00 0.00 H new ATOM 0 HA LEU A 83 18.991 3.533 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.963 1.459 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.961 1.533 2.323 1.00 0.00 H new ATOM 0 HG LEU A 83 15.581 2.241 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.310 2.015 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.547 3.290 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 83 15.826 1.709 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.672 0.046 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.202 -0.336 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.174 -0.116 2.563 1.00 0.00 H new ATOM 1202 N LEU A 84 18.824 3.723 -0.878 1.00 0.00 N ATOM 1203 CA LEU A 84 18.813 4.165 -2.268 1.00 0.00 C ATOM 1204 C LEU A 84 18.254 3.079 -3.181 1.00 0.00 C ATOM 1205 O LEU A 84 18.089 1.930 -2.768 1.00 0.00 O ATOM 1206 CB LEU A 84 20.226 4.545 -2.714 1.00 0.00 C ATOM 1207 CG LEU A 84 20.972 5.530 -1.813 1.00 0.00 C ATOM 1208 CD1 LEU A 84 22.473 5.292 -1.889 1.00 0.00 C ATOM 1209 CD2 LEU A 84 20.638 6.964 -2.198 1.00 0.00 C ATOM 0 H LEU A 84 19.669 3.222 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 84 18.168 5.041 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.819 3.633 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.167 4.972 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 84 20.650 5.367 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.987 6.002 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.697 4.276 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.811 5.427 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.178 7.651 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.931 7.140 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.566 7.129 -2.091 1.00 0.00 H new ATOM 1221 N HIS A 85 17.966 3.448 -4.425 1.00 0.00 N ATOM 1222 CA HIS A 85 17.429 2.504 -5.398 1.00 0.00 C ATOM 1223 C HIS A 85 18.265 1.228 -5.437 1.00 0.00 C ATOM 1224 O HIS A 85 17.726 0.125 -5.521 1.00 0.00 O ATOM 1225 CB HIS A 85 17.384 3.141 -6.788 1.00 0.00 C ATOM 1226 CG HIS A 85 16.832 2.234 -7.844 1.00 0.00 C ATOM 1227 ND1 HIS A 85 15.492 1.927 -7.947 1.00 0.00 N ATOM 1228 CD2 HIS A 85 17.447 1.569 -8.850 1.00 0.00 C ATOM 1229 CE1 HIS A 85 15.307 1.110 -8.968 1.00 0.00 C ATOM 1230 NE2 HIS A 85 16.478 0.878 -9.534 1.00 0.00 N ATOM 0 H HIS A 85 18.096 4.394 -4.783 1.00 0.00 H new ATOM 0 HA HIS A 85 16.415 2.244 -5.093 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.778 4.046 -6.745 1.00 0.00 H new ATOM 0 HB3 HIS A 85 18.391 3.445 -7.072 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.504 1.580 -9.073 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.359 0.701 -9.286 1.00 0.00 H new ATOM 0 HE2 HIS A 85 16.636 0.282 -10.347 1.00 0.00 H new ATOM 1238 N GLN A 86 19.583 1.388 -5.375 1.00 0.00 N ATOM 1239 CA GLN A 86 20.492 0.249 -5.404 1.00 0.00 C ATOM 1240 C GLN A 86 20.316 -0.621 -4.164 1.00 0.00 C ATOM 1241 O GLN A 86 20.379 -1.848 -4.240 1.00 0.00 O ATOM 1242 CB GLN A 86 21.941 0.728 -5.504 1.00 0.00 C ATOM 1243 CG GLN A 86 22.962 -0.393 -5.394 1.00 0.00 C ATOM 1244 CD GLN A 86 23.159 -1.133 -6.702 1.00 0.00 C ATOM 1245 OE1 GLN A 86 24.130 -0.897 -7.422 1.00 0.00 O ATOM 1246 NE2 GLN A 86 22.237 -2.036 -7.016 1.00 0.00 N ATOM 0 H GLN A 86 20.045 2.295 -5.304 1.00 0.00 H new ATOM 0 HA GLN A 86 20.254 -0.351 -6.282 1.00 0.00 H new ATOM 0 HB2 GLN A 86 22.080 1.243 -6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.129 1.458 -4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 86 23.916 0.021 -5.068 1.00 0.00 H new ATOM 0 HG3 GLN A 86 22.641 -1.098 -4.627 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.449 -2.199 -6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.317 -2.566 -7.884 1.00 0.00 H new ATOM 1255 N ASP A 87 20.094 0.023 -3.023 1.00 0.00 N ATOM 1256 CA ASP A 87 19.908 -0.691 -1.766 1.00 0.00 C ATOM 1257 C ASP A 87 18.684 -1.599 -1.833 1.00 0.00 C ATOM 1258 O ASP A 87 18.712 -2.732 -1.352 1.00 0.00 O ATOM 1259 CB ASP A 87 19.761 0.298 -0.609 1.00 0.00 C ATOM 1260 CG ASP A 87 21.097 0.683 -0.003 1.00 0.00 C ATOM 1261 OD1 ASP A 87 21.806 -0.220 0.488 1.00 0.00 O ATOM 1262 OD2 ASP A 87 21.432 1.886 -0.018 1.00 0.00 O ATOM 0 H ASP A 87 20.039 1.038 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 87 20.789 -1.310 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.254 1.195 -0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 87 19.128 -0.141 0.162 1.00 0.00 H new ATOM 1267 N ALA A 88 17.611 -1.094 -2.431 1.00 0.00 N ATOM 1268 CA ALA A 88 16.377 -1.859 -2.562 1.00 0.00 C ATOM 1269 C ALA A 88 16.535 -2.985 -3.578 1.00 0.00 C ATOM 1270 O ALA A 88 16.169 -4.130 -3.313 1.00 0.00 O ATOM 1271 CB ALA A 88 15.228 -0.945 -2.959 1.00 0.00 C ATOM 0 H ALA A 88 17.571 -0.157 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 88 16.152 -2.307 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.313 -1.530 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.092 -0.179 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.454 -0.470 -3.913 1.00 0.00 H new ATOM 1277 N VAL A 89 17.082 -2.653 -4.744 1.00 0.00 N ATOM 1278 CA VAL A 89 17.288 -3.636 -5.800 1.00 0.00 C ATOM 1279 C VAL A 89 18.100 -4.823 -5.294 1.00 0.00 C ATOM 1280 O VAL A 89 17.765 -5.977 -5.562 1.00 0.00 O ATOM 1281 CB VAL A 89 18.007 -3.015 -7.012 1.00 0.00 C ATOM 1282 CG1 VAL A 89 18.227 -4.060 -8.096 1.00 0.00 C ATOM 1283 CG2 VAL A 89 17.217 -1.833 -7.552 1.00 0.00 C ATOM 0 H VAL A 89 17.390 -1.710 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 89 16.301 -3.980 -6.110 1.00 0.00 H new ATOM 0 HB VAL A 89 18.982 -2.653 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.736 -3.603 -8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 89 18.838 -4.871 -7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 89 17.265 -4.456 -8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 89 17.740 -1.407 -8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.227 -2.168 -7.861 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.117 -1.076 -6.774 1.00 0.00 H new ATOM 1293 N ASP A 90 19.169 -4.532 -4.562 1.00 0.00 N ATOM 1294 CA ASP A 90 20.030 -5.576 -4.017 1.00 0.00 C ATOM 1295 C ASP A 90 19.247 -6.493 -3.082 1.00 0.00 C ATOM 1296 O ASP A 90 19.207 -7.708 -3.277 1.00 0.00 O ATOM 1297 CB ASP A 90 21.211 -4.954 -3.270 1.00 0.00 C ATOM 1298 CG ASP A 90 22.454 -5.821 -3.328 1.00 0.00 C ATOM 1299 OD1 ASP A 90 23.031 -5.957 -4.428 1.00 0.00 O ATOM 1300 OD2 ASP A 90 22.850 -6.362 -2.275 1.00 0.00 O ATOM 0 H ASP A 90 19.461 -3.582 -4.332 1.00 0.00 H new ATOM 0 HA ASP A 90 20.408 -6.171 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 90 21.433 -3.976 -3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 90 20.933 -4.791 -2.229 1.00 0.00 H new ATOM 1305 N LEU A 91 18.626 -5.903 -2.066 1.00 0.00 N ATOM 1306 CA LEU A 91 17.844 -6.666 -1.100 1.00 0.00 C ATOM 1307 C LEU A 91 17.006 -7.733 -1.798 1.00 0.00 C ATOM 1308 O LEU A 91 16.914 -8.868 -1.332 1.00 0.00 O ATOM 1309 CB LEU A 91 16.936 -5.733 -0.298 1.00 0.00 C ATOM 1310 CG LEU A 91 16.203 -6.364 0.887 1.00 0.00 C ATOM 1311 CD1 LEU A 91 17.158 -6.582 2.050 1.00 0.00 C ATOM 1312 CD2 LEU A 91 15.030 -5.494 1.313 1.00 0.00 C ATOM 0 H LEU A 91 18.649 -4.899 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 91 18.537 -7.162 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 91 17.538 -4.903 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 91 16.194 -5.310 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 91 15.815 -7.334 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.619 -7.032 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 91 17.965 -7.246 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.576 -5.625 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.520 -5.958 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.395 -4.510 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.333 -5.390 0.481 1.00 0.00 H new ATOM 1324 N PHE A 92 16.399 -7.360 -2.920 1.00 0.00 N ATOM 1325 CA PHE A 92 15.570 -8.285 -3.684 1.00 0.00 C ATOM 1326 C PHE A 92 16.363 -9.529 -4.077 1.00 0.00 C ATOM 1327 O PHE A 92 15.834 -10.641 -4.075 1.00 0.00 O ATOM 1328 CB PHE A 92 15.025 -7.598 -4.938 1.00 0.00 C ATOM 1329 CG PHE A 92 13.866 -6.682 -4.663 1.00 0.00 C ATOM 1330 CD1 PHE A 92 13.882 -5.833 -3.569 1.00 0.00 C ATOM 1331 CD2 PHE A 92 12.761 -6.671 -5.499 1.00 0.00 C ATOM 1332 CE1 PHE A 92 12.818 -4.988 -3.313 1.00 0.00 C ATOM 1333 CE2 PHE A 92 11.695 -5.829 -5.249 1.00 0.00 C ATOM 1334 CZ PHE A 92 11.722 -4.987 -4.154 1.00 0.00 C ATOM 0 H PHE A 92 16.466 -6.424 -3.320 1.00 0.00 H new ATOM 0 HA PHE A 92 14.735 -8.591 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 92 15.826 -7.027 -5.407 1.00 0.00 H new ATOM 0 HB3 PHE A 92 14.715 -8.359 -5.654 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.736 -5.831 -2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.733 -7.328 -6.356 1.00 0.00 H new ATOM 0 HE1 PHE A 92 12.844 -4.330 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.840 -5.829 -5.909 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.888 -4.330 -3.956 1.00 0.00 H new ATOM 1344 N ARG A 93 17.633 -9.332 -4.412 1.00 0.00 N ATOM 1345 CA ARG A 93 18.499 -10.436 -4.809 1.00 0.00 C ATOM 1346 C ARG A 93 18.805 -11.341 -3.619 1.00 0.00 C ATOM 1347 O ARG A 93 18.795 -12.566 -3.739 1.00 0.00 O ATOM 1348 CB ARG A 93 19.802 -9.902 -5.406 1.00 0.00 C ATOM 1349 CG ARG A 93 19.619 -9.211 -6.747 1.00 0.00 C ATOM 1350 CD ARG A 93 20.833 -8.369 -7.110 1.00 0.00 C ATOM 1351 NE ARG A 93 21.824 -9.135 -7.861 1.00 0.00 N ATOM 1352 CZ ARG A 93 21.690 -9.450 -9.145 1.00 0.00 C ATOM 1353 NH1 ARG A 93 20.612 -9.067 -9.816 1.00 0.00 N ATOM 1354 NH2 ARG A 93 22.636 -10.149 -9.760 1.00 0.00 N ATOM 0 H ARG A 93 18.086 -8.418 -4.417 1.00 0.00 H new ATOM 0 HA ARG A 93 17.975 -11.022 -5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.253 -9.201 -4.704 1.00 0.00 H new ATOM 0 HB3 ARG A 93 20.503 -10.728 -5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 93 19.448 -9.958 -7.522 1.00 0.00 H new ATOM 0 HG3 ARG A 93 18.732 -8.578 -6.713 1.00 0.00 H new ATOM 0 HD2 ARG A 93 20.515 -7.510 -7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 93 21.289 -7.979 -6.200 1.00 0.00 H new ATOM 0 HE ARG A 93 22.665 -9.445 -7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 93 19.883 -8.529 -9.347 1.00 0.00 H new ATOM 0 HH12 ARG A 93 20.512 -9.310 -10.802 1.00 0.00 H new ATOM 0 HH21 ARG A 93 23.467 -10.445 -9.247 1.00 0.00 H new ATOM 0 HH22 ARG A 93 22.532 -10.390 -10.746 1.00 0.00 H new ATOM 1368 N ASN A 94 19.078 -10.729 -2.471 1.00 0.00 N ATOM 1369 CA ASN A 94 19.388 -11.479 -1.260 1.00 0.00 C ATOM 1370 C ASN A 94 18.287 -12.487 -0.947 1.00 0.00 C ATOM 1371 O ASN A 94 18.562 -13.629 -0.580 1.00 0.00 O ATOM 1372 CB ASN A 94 19.572 -10.525 -0.077 1.00 0.00 C ATOM 1373 CG ASN A 94 20.001 -11.246 1.186 1.00 0.00 C ATOM 1374 OD1 ASN A 94 20.868 -12.120 1.152 1.00 0.00 O ATOM 1375 ND2 ASN A 94 19.393 -10.883 2.309 1.00 0.00 N ATOM 0 H ASN A 94 19.091 -9.716 -2.354 1.00 0.00 H new ATOM 0 HA ASN A 94 20.317 -12.023 -1.428 1.00 0.00 H new ATOM 0 HB2 ASN A 94 20.318 -9.772 -0.333 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.637 -9.997 0.109 1.00 0.00 H new ATOM 0 HD21 ASN A 94 19.639 -11.333 3.191 1.00 0.00 H new ATOM 0 HD22 ASN A 94 18.680 -10.154 2.290 1.00 0.00 H new ATOM 1382 N ALA A 95 17.038 -12.057 -1.095 1.00 0.00 N ATOM 1383 CA ALA A 95 15.895 -12.922 -0.831 1.00 0.00 C ATOM 1384 C ALA A 95 16.196 -14.364 -1.224 1.00 0.00 C ATOM 1385 O ALA A 95 16.215 -15.257 -0.378 1.00 0.00 O ATOM 1386 CB ALA A 95 14.668 -12.416 -1.574 1.00 0.00 C ATOM 0 H ALA A 95 16.792 -11.114 -1.397 1.00 0.00 H new ATOM 0 HA ALA A 95 15.693 -12.899 0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.822 -13.071 -1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.433 -11.405 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 95 14.869 -12.409 -2.645 1.00 0.00 H new ATOM 1392 N GLY A 96 16.431 -14.585 -2.514 1.00 0.00 N ATOM 1393 CA GLY A 96 16.727 -15.922 -2.996 1.00 0.00 C ATOM 1394 C GLY A 96 15.560 -16.542 -3.737 1.00 0.00 C ATOM 1395 O GLY A 96 14.617 -15.848 -4.116 1.00 0.00 O ATOM 0 H GLY A 96 16.422 -13.862 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.593 -15.883 -3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.997 -16.558 -2.153 1.00 0.00 H new ATOM 1399 N TYR A 97 15.624 -17.853 -3.946 1.00 0.00 N ATOM 1400 CA TYR A 97 14.566 -18.567 -4.651 1.00 0.00 C ATOM 1401 C TYR A 97 13.194 -18.004 -4.289 1.00 0.00 C ATOM 1402 O TYR A 97 12.427 -17.600 -5.162 1.00 0.00 O ATOM 1403 CB TYR A 97 14.621 -20.059 -4.320 1.00 0.00 C ATOM 1404 CG TYR A 97 13.834 -20.921 -5.281 1.00 0.00 C ATOM 1405 CD1 TYR A 97 14.199 -21.017 -6.618 1.00 0.00 C ATOM 1406 CD2 TYR A 97 12.725 -21.640 -4.852 1.00 0.00 C ATOM 1407 CE1 TYR A 97 13.482 -21.803 -7.499 1.00 0.00 C ATOM 1408 CE2 TYR A 97 12.003 -22.430 -5.726 1.00 0.00 C ATOM 1409 CZ TYR A 97 12.386 -22.508 -7.049 1.00 0.00 C ATOM 1410 OH TYR A 97 11.669 -23.293 -7.923 1.00 0.00 O ATOM 0 H TYR A 97 16.397 -18.442 -3.637 1.00 0.00 H new ATOM 0 HA TYR A 97 14.723 -18.433 -5.721 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.661 -20.385 -4.321 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.240 -20.213 -3.311 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.058 -20.468 -6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 97 12.422 -21.580 -3.817 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.779 -21.865 -8.536 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.144 -22.983 -5.376 1.00 0.00 H new ATOM 0 HH TYR A 97 10.929 -23.722 -7.445 1.00 0.00 H new ATOM 1420 N ALA A 98 12.894 -17.981 -2.995 1.00 0.00 N ATOM 1421 CA ALA A 98 11.618 -17.467 -2.516 1.00 0.00 C ATOM 1422 C ALA A 98 11.719 -15.986 -2.165 1.00 0.00 C ATOM 1423 O ALA A 98 12.494 -15.596 -1.291 1.00 0.00 O ATOM 1424 CB ALA A 98 11.146 -18.265 -1.310 1.00 0.00 C ATOM 0 H ALA A 98 13.518 -18.313 -2.259 1.00 0.00 H new ATOM 0 HA ALA A 98 10.888 -17.575 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.191 -17.870 -0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.025 -19.311 -1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.883 -18.187 -0.511 1.00 0.00 H new ATOM 1430 N VAL A 99 10.933 -15.164 -2.853 1.00 0.00 N ATOM 1431 CA VAL A 99 10.934 -13.726 -2.614 1.00 0.00 C ATOM 1432 C VAL A 99 9.566 -13.245 -2.144 1.00 0.00 C ATOM 1433 O VAL A 99 8.582 -13.328 -2.880 1.00 0.00 O ATOM 1434 CB VAL A 99 11.333 -12.947 -3.881 1.00 0.00 C ATOM 1435 CG1 VAL A 99 11.713 -11.516 -3.531 1.00 0.00 C ATOM 1436 CG2 VAL A 99 12.475 -13.649 -4.601 1.00 0.00 C ATOM 0 H VAL A 99 10.287 -15.470 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 99 11.670 -13.536 -1.833 1.00 0.00 H new ATOM 0 HB VAL A 99 10.475 -12.916 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.992 -10.981 -4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.864 -11.018 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.556 -11.522 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.744 -13.085 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.338 -13.713 -3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.162 -14.653 -4.887 1.00 0.00 H new ATOM 1446 N SER A 100 9.510 -12.743 -0.915 1.00 0.00 N ATOM 1447 CA SER A 100 8.261 -12.251 -0.346 1.00 0.00 C ATOM 1448 C SER A 100 8.270 -10.729 -0.250 1.00 0.00 C ATOM 1449 O SER A 100 9.019 -10.148 0.536 1.00 0.00 O ATOM 1450 CB SER A 100 8.034 -12.859 1.040 1.00 0.00 C ATOM 1451 OG SER A 100 7.658 -14.222 0.943 1.00 0.00 O ATOM 0 H SER A 100 10.315 -12.666 -0.294 1.00 0.00 H new ATOM 0 HA SER A 100 7.447 -12.551 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.944 -12.771 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.258 -12.301 1.563 1.00 0.00 H new ATOM 0 HG SER A 100 6.716 -14.320 1.195 1.00 0.00 H new ATOM 1457 N LEU A 101 7.431 -10.087 -1.056 1.00 0.00 N ATOM 1458 CA LEU A 101 7.340 -8.631 -1.064 1.00 0.00 C ATOM 1459 C LEU A 101 6.027 -8.164 -0.443 1.00 0.00 C ATOM 1460 O LEU A 101 4.949 -8.605 -0.841 1.00 0.00 O ATOM 1461 CB LEU A 101 7.458 -8.101 -2.494 1.00 0.00 C ATOM 1462 CG LEU A 101 8.544 -8.741 -3.359 1.00 0.00 C ATOM 1463 CD1 LEU A 101 8.324 -8.404 -4.826 1.00 0.00 C ATOM 1464 CD2 LEU A 101 9.924 -8.285 -2.907 1.00 0.00 C ATOM 0 H LEU A 101 6.804 -10.552 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 101 8.163 -8.237 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.498 -8.238 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.643 -7.028 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 101 8.484 -9.823 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.106 -8.868 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.351 -8.780 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.357 -7.323 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.684 -8.751 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.996 -7.201 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.082 -8.577 -1.869 1.00 0.00 H new ATOM 1476 N ARG A 102 6.127 -7.268 0.533 1.00 0.00 N ATOM 1477 CA ARG A 102 4.947 -6.740 1.209 1.00 0.00 C ATOM 1478 C ARG A 102 4.531 -5.400 0.608 1.00 0.00 C ATOM 1479 O ARG A 102 5.106 -4.359 0.927 1.00 0.00 O ATOM 1480 CB ARG A 102 5.220 -6.577 2.705 1.00 0.00 C ATOM 1481 CG ARG A 102 3.960 -6.422 3.541 1.00 0.00 C ATOM 1482 CD ARG A 102 4.231 -5.642 4.818 1.00 0.00 C ATOM 1483 NE ARG A 102 2.997 -5.208 5.467 1.00 0.00 N ATOM 1484 CZ ARG A 102 2.281 -5.982 6.275 1.00 0.00 C ATOM 1485 NH1 ARG A 102 2.675 -7.221 6.533 1.00 0.00 N ATOM 1486 NH2 ARG A 102 1.169 -5.515 6.828 1.00 0.00 N ATOM 0 H ARG A 102 7.012 -6.892 0.874 1.00 0.00 H new ATOM 0 HA ARG A 102 4.132 -7.450 1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.777 -7.444 3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.856 -5.705 2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.195 -5.911 2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.565 -7.406 3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.804 -6.263 5.507 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.845 -4.771 4.587 1.00 0.00 H new ATOM 0 HE ARG A 102 2.667 -4.259 5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 102 3.530 -7.583 6.111 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.123 -7.813 7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.864 -4.562 6.633 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.619 -6.109 7.448 1.00 0.00 H new ATOM 1500 N VAL A 103 3.528 -5.435 -0.264 1.00 0.00 N ATOM 1501 CA VAL A 103 3.033 -4.224 -0.909 1.00 0.00 C ATOM 1502 C VAL A 103 1.713 -3.774 -0.294 1.00 0.00 C ATOM 1503 O VAL A 103 1.099 -4.504 0.483 1.00 0.00 O ATOM 1504 CB VAL A 103 2.838 -4.435 -2.422 1.00 0.00 C ATOM 1505 CG1 VAL A 103 4.159 -4.786 -3.088 1.00 0.00 C ATOM 1506 CG2 VAL A 103 1.797 -5.514 -2.679 1.00 0.00 C ATOM 0 H VAL A 103 3.042 -6.288 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 103 3.785 -3.451 -0.752 1.00 0.00 H new ATOM 0 HB VAL A 103 2.477 -3.503 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.000 -4.931 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.871 -3.975 -2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.554 -5.704 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.672 -5.650 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.126 -6.451 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.846 -5.215 -2.238 1.00 0.00 H new ATOM 1516 N GLN A 104 1.283 -2.567 -0.649 1.00 0.00 N ATOM 1517 CA GLN A 104 0.034 -2.020 -0.131 1.00 0.00 C ATOM 1518 C GLN A 104 -0.903 -1.632 -1.270 1.00 0.00 C ATOM 1519 O GLN A 104 -0.533 -0.865 -2.159 1.00 0.00 O ATOM 1520 CB GLN A 104 0.314 -0.802 0.752 1.00 0.00 C ATOM 1521 CG GLN A 104 -0.933 -0.010 1.109 1.00 0.00 C ATOM 1522 CD GLN A 104 -0.668 1.057 2.153 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -0.933 2.238 1.931 1.00 0.00 O ATOM 1524 NE2 GLN A 104 -0.142 0.645 3.300 1.00 0.00 N ATOM 0 H GLN A 104 1.780 -1.950 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.451 -2.791 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.799 -1.133 1.670 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.017 -0.146 0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.331 0.459 0.209 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.699 -0.692 1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.062 -0.344 3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 104 0.058 1.318 4.040 1.00 0.00 H new ATOM 1533 N HIS A 105 -2.120 -2.168 -1.236 1.00 0.00 N ATOM 1534 CA HIS A 105 -3.111 -1.877 -2.266 1.00 0.00 C ATOM 1535 C HIS A 105 -4.044 -0.755 -1.821 1.00 0.00 C ATOM 1536 O HIS A 105 -4.968 -0.976 -1.039 1.00 0.00 O ATOM 1537 CB HIS A 105 -3.923 -3.132 -2.590 1.00 0.00 C ATOM 1538 CG HIS A 105 -3.096 -4.379 -2.658 1.00 0.00 C ATOM 1539 ND1 HIS A 105 -2.190 -4.627 -3.667 1.00 0.00 N ATOM 1540 CD2 HIS A 105 -3.042 -5.451 -1.833 1.00 0.00 C ATOM 1541 CE1 HIS A 105 -1.615 -5.799 -3.461 1.00 0.00 C ATOM 1542 NE2 HIS A 105 -2.114 -6.319 -2.355 1.00 0.00 N ATOM 0 H HIS A 105 -2.443 -2.805 -0.508 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.583 -1.552 -3.163 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.697 -3.260 -1.833 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.431 -2.990 -3.544 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -1.994 -4.003 -4.450 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -3.620 -5.597 -0.933 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.865 -6.254 -4.090 1.00 0.00 H new ATOM 1550 N ARG A 106 -3.794 0.450 -2.325 1.00 0.00 N ATOM 1551 CA ARG A 106 -4.610 1.607 -1.978 1.00 0.00 C ATOM 1552 C ARG A 106 -5.609 1.920 -3.088 1.00 0.00 C ATOM 1553 O ARG A 106 -5.281 2.603 -4.059 1.00 0.00 O ATOM 1554 CB ARG A 106 -3.722 2.825 -1.718 1.00 0.00 C ATOM 1555 CG ARG A 106 -2.552 2.942 -2.682 1.00 0.00 C ATOM 1556 CD ARG A 106 -1.708 4.172 -2.387 1.00 0.00 C ATOM 1557 NE ARG A 106 -0.939 4.025 -1.155 1.00 0.00 N ATOM 1558 CZ ARG A 106 -0.116 4.957 -0.686 1.00 0.00 C ATOM 1559 NH1 ARG A 106 0.043 6.097 -1.344 1.00 0.00 N ATOM 1560 NH2 ARG A 106 0.549 4.749 0.443 1.00 0.00 N ATOM 0 H ARG A 106 -3.033 0.650 -2.974 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.164 1.370 -1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.329 3.728 -1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.339 2.774 -0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.931 2.049 -2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.925 2.992 -3.705 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.028 4.353 -3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.355 5.045 -2.308 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.039 3.159 -0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.467 6.260 -2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.675 6.811 -0.982 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.429 3.873 0.952 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.181 5.465 0.802 1.00 0.00 H new ATOM 1574 N LEU A 107 -6.829 1.416 -2.938 1.00 0.00 N ATOM 1575 CA LEU A 107 -7.877 1.641 -3.927 1.00 0.00 C ATOM 1576 C LEU A 107 -8.742 2.837 -3.541 1.00 0.00 C ATOM 1577 O LEU A 107 -9.026 3.055 -2.364 1.00 0.00 O ATOM 1578 CB LEU A 107 -8.748 0.392 -4.070 1.00 0.00 C ATOM 1579 CG LEU A 107 -8.284 -0.635 -5.103 1.00 0.00 C ATOM 1580 CD1 LEU A 107 -7.876 0.055 -6.396 1.00 0.00 C ATOM 1581 CD2 LEU A 107 -7.132 -1.463 -4.552 1.00 0.00 C ATOM 0 H LEU A 107 -7.117 0.849 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.400 1.855 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.805 -0.100 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.759 0.706 -4.328 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.116 -1.305 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.549 -0.692 -7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.727 0.603 -6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.059 0.749 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.815 -2.189 -5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.297 -0.807 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.458 -1.987 -3.654 1.00 0.00 H new ATOM 1593 N GLN A 108 -9.160 3.606 -4.542 1.00 0.00 N ATOM 1594 CA GLN A 108 -9.994 4.778 -4.306 1.00 0.00 C ATOM 1595 C GLN A 108 -11.472 4.401 -4.293 1.00 0.00 C ATOM 1596 O GLN A 108 -12.003 3.894 -5.281 1.00 0.00 O ATOM 1597 CB GLN A 108 -9.736 5.838 -5.379 1.00 0.00 C ATOM 1598 CG GLN A 108 -10.563 7.101 -5.199 1.00 0.00 C ATOM 1599 CD GLN A 108 -9.863 8.337 -5.727 1.00 0.00 C ATOM 1600 OE1 GLN A 108 -9.085 8.265 -6.678 1.00 0.00 O ATOM 1601 NE2 GLN A 108 -10.136 9.481 -5.111 1.00 0.00 N ATOM 0 H GLN A 108 -8.935 3.438 -5.523 1.00 0.00 H new ATOM 0 HA GLN A 108 -9.733 5.187 -3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.678 6.102 -5.370 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.950 5.411 -6.359 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -11.517 6.982 -5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -10.785 7.238 -4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -10.788 9.495 -4.326 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -9.694 10.346 -5.422 1.00 0.00 H new ATOM 1610 N VAL A 109 -12.131 4.651 -3.166 1.00 0.00 N ATOM 1611 CA VAL A 109 -13.548 4.338 -3.024 1.00 0.00 C ATOM 1612 C VAL A 109 -14.412 5.352 -3.766 1.00 0.00 C ATOM 1613 O VAL A 109 -15.638 5.329 -3.664 1.00 0.00 O ATOM 1614 CB VAL A 109 -13.970 4.307 -1.543 1.00 0.00 C ATOM 1615 CG1 VAL A 109 -15.469 4.081 -1.419 1.00 0.00 C ATOM 1616 CG2 VAL A 109 -13.197 3.235 -0.791 1.00 0.00 C ATOM 0 H VAL A 109 -11.706 5.069 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.699 3.350 -3.458 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.734 5.273 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -15.748 4.062 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -16.001 4.889 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.733 3.130 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.508 3.227 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.399 2.261 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.129 3.447 -0.850 1.00 0.00 H new ATOM 1626 N GLN A 110 -13.763 6.239 -4.513 1.00 0.00 N ATOM 1627 CA GLN A 110 -14.473 7.261 -5.273 1.00 0.00 C ATOM 1628 C GLN A 110 -14.766 6.781 -6.690 1.00 0.00 C ATOM 1629 O GLN A 110 -15.924 6.644 -7.083 1.00 0.00 O ATOM 1630 CB GLN A 110 -13.655 8.553 -5.318 1.00 0.00 C ATOM 1631 CG GLN A 110 -14.506 9.810 -5.399 1.00 0.00 C ATOM 1632 CD GLN A 110 -13.677 11.065 -5.589 1.00 0.00 C ATOM 1633 OE1 GLN A 110 -12.697 11.069 -6.334 1.00 0.00 O ATOM 1634 NE2 GLN A 110 -14.068 12.140 -4.914 1.00 0.00 N ATOM 0 H GLN A 110 -12.748 6.271 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.421 7.457 -4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.027 8.606 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -12.987 8.520 -6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.209 9.715 -6.226 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.096 9.904 -4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.887 12.092 -4.308 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -13.550 13.014 -5.002 1.00 0.00 H new ATOM 1643 N ASN A 111 -13.708 6.528 -7.454 1.00 0.00 N ATOM 1644 CA ASN A 111 -13.852 6.063 -8.829 1.00 0.00 C ATOM 1645 C ASN A 111 -13.485 4.587 -8.946 1.00 0.00 C ATOM 1646 O ASN A 111 -13.022 3.974 -7.985 1.00 0.00 O ATOM 1647 CB ASN A 111 -12.973 6.895 -9.765 1.00 0.00 C ATOM 1648 CG ASN A 111 -13.212 8.384 -9.612 1.00 0.00 C ATOM 1649 OD1 ASN A 111 -12.411 9.094 -9.004 1.00 0.00 O ATOM 1650 ND2 ASN A 111 -14.320 8.865 -10.166 1.00 0.00 N ATOM 0 H ASN A 111 -12.742 6.637 -7.144 1.00 0.00 H new ATOM 0 HA ASN A 111 -14.896 6.183 -9.119 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -11.924 6.676 -9.564 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -13.168 6.603 -10.797 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -14.535 9.860 -10.096 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -14.956 8.239 -10.661 1.00 0.00 H new ATOM 1657 N GLY A 112 -13.694 4.023 -10.132 1.00 0.00 N ATOM 1658 CA GLY A 112 -13.380 2.623 -10.353 1.00 0.00 C ATOM 1659 C GLY A 112 -14.030 2.074 -11.607 1.00 0.00 C ATOM 1660 O GLY A 112 -15.139 2.461 -11.978 1.00 0.00 O ATOM 0 H GLY A 112 -14.075 4.510 -10.943 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -12.299 2.503 -10.426 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -13.708 2.040 -9.492 1.00 0.00 H new ATOM 1664 N PRO A 113 -13.333 1.150 -12.285 1.00 0.00 N ATOM 1665 CA PRO A 113 -13.830 0.528 -13.515 1.00 0.00 C ATOM 1666 C PRO A 113 -15.006 -0.407 -13.258 1.00 0.00 C ATOM 1667 O PRO A 113 -15.521 -1.041 -14.180 1.00 0.00 O ATOM 1668 CB PRO A 113 -12.622 -0.261 -14.027 1.00 0.00 C ATOM 1669 CG PRO A 113 -11.809 -0.540 -12.810 1.00 0.00 C ATOM 1670 CD PRO A 113 -12.005 0.641 -11.901 1.00 0.00 C ATOM 0 HA PRO A 113 -14.205 1.268 -14.223 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -12.931 -1.184 -14.517 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -12.055 0.314 -14.759 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -12.133 -1.462 -12.327 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -10.757 -0.666 -13.064 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -11.974 0.350 -10.851 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -11.229 1.393 -12.046 1.00 0.00 H new ATOM 1678 N ILE A 114 -15.427 -0.489 -12.000 1.00 0.00 N ATOM 1679 CA ILE A 114 -16.544 -1.346 -11.623 1.00 0.00 C ATOM 1680 C ILE A 114 -17.588 -1.409 -12.733 1.00 0.00 C ATOM 1681 O ILE A 114 -17.766 -0.452 -13.486 1.00 0.00 O ATOM 1682 CB ILE A 114 -17.218 -0.855 -10.327 1.00 0.00 C ATOM 1683 CG1 ILE A 114 -17.798 0.546 -10.528 1.00 0.00 C ATOM 1684 CG2 ILE A 114 -16.222 -0.863 -9.177 1.00 0.00 C ATOM 1685 CD1 ILE A 114 -18.757 0.965 -9.435 1.00 0.00 C ATOM 0 H ILE A 114 -15.011 0.028 -11.225 1.00 0.00 H new ATOM 0 HA ILE A 114 -16.135 -2.342 -11.455 1.00 0.00 H new ATOM 0 HB ILE A 114 -18.035 -1.533 -10.079 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -16.980 1.265 -10.578 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -18.314 0.583 -11.487 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -16.712 -0.514 -8.268 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -15.852 -1.877 -9.023 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -15.387 -0.204 -9.415 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -19.129 1.968 -9.642 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -19.594 0.268 -9.398 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -18.239 0.961 -8.476 1.00 0.00 H new ATOM 1697 N SER A 115 -18.277 -2.542 -12.826 1.00 0.00 N ATOM 1698 CA SER A 115 -19.303 -2.731 -13.845 1.00 0.00 C ATOM 1699 C SER A 115 -20.035 -1.423 -14.128 1.00 0.00 C ATOM 1700 O SER A 115 -20.474 -0.732 -13.209 1.00 0.00 O ATOM 1701 CB SER A 115 -20.301 -3.802 -13.402 1.00 0.00 C ATOM 1702 OG SER A 115 -19.823 -5.101 -13.705 1.00 0.00 O ATOM 0 H SER A 115 -18.143 -3.343 -12.208 1.00 0.00 H new ATOM 0 HA SER A 115 -18.813 -3.059 -14.762 1.00 0.00 H new ATOM 0 HB2 SER A 115 -20.478 -3.717 -12.330 1.00 0.00 H new ATOM 0 HB3 SER A 115 -21.258 -3.639 -13.897 1.00 0.00 H new ATOM 0 HG SER A 115 -20.478 -5.768 -13.410 1.00 0.00 H new ATOM 1708 N GLY A 116 -20.164 -1.088 -15.408 1.00 0.00 N ATOM 1709 CA GLY A 116 -20.844 0.136 -15.791 1.00 0.00 C ATOM 1710 C GLY A 116 -20.763 0.402 -17.281 1.00 0.00 C ATOM 1711 O GLY A 116 -19.773 0.081 -17.938 1.00 0.00 O ATOM 0 H GLY A 116 -19.810 -1.643 -16.187 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -21.890 0.075 -15.492 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -20.406 0.975 -15.251 1.00 0.00 H new ATOM 1715 N PRO A 117 -21.826 1.002 -17.837 1.00 0.00 N ATOM 1716 CA PRO A 117 -21.895 1.324 -19.265 1.00 0.00 C ATOM 1717 C PRO A 117 -20.936 2.443 -19.655 1.00 0.00 C ATOM 1718 O PRO A 117 -21.013 3.552 -19.126 1.00 0.00 O ATOM 1719 CB PRO A 117 -23.346 1.772 -19.458 1.00 0.00 C ATOM 1720 CG PRO A 117 -23.772 2.263 -18.117 1.00 0.00 C ATOM 1721 CD PRO A 117 -23.041 1.414 -17.114 1.00 0.00 C ATOM 0 HA PRO A 117 -21.610 0.476 -19.888 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -23.421 2.558 -20.210 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -23.974 0.947 -19.795 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -23.524 3.317 -17.991 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -24.851 2.172 -17.993 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -22.800 1.976 -16.211 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -23.636 0.554 -16.805 1.00 0.00 H new ATOM 1729 N SER A 118 -20.033 2.146 -20.584 1.00 0.00 N ATOM 1730 CA SER A 118 -19.056 3.127 -21.042 1.00 0.00 C ATOM 1731 C SER A 118 -18.688 2.886 -22.503 1.00 0.00 C ATOM 1732 O SER A 118 -18.763 1.761 -22.996 1.00 0.00 O ATOM 1733 CB SER A 118 -17.799 3.071 -20.172 1.00 0.00 C ATOM 1734 OG SER A 118 -16.919 4.138 -20.478 1.00 0.00 O ATOM 0 H SER A 118 -19.958 1.234 -21.034 1.00 0.00 H new ATOM 0 HA SER A 118 -19.504 4.117 -20.957 1.00 0.00 H new ATOM 0 HB2 SER A 118 -18.079 3.117 -19.120 1.00 0.00 H new ATOM 0 HB3 SER A 118 -17.289 2.120 -20.325 1.00 0.00 H new ATOM 0 HG SER A 118 -16.124 4.081 -19.907 1.00 0.00 H new ATOM 1740 N SER A 119 -18.291 3.952 -23.190 1.00 0.00 N ATOM 1741 CA SER A 119 -17.915 3.859 -24.596 1.00 0.00 C ATOM 1742 C SER A 119 -16.914 2.729 -24.817 1.00 0.00 C ATOM 1743 O SER A 119 -17.101 1.879 -25.686 1.00 0.00 O ATOM 1744 CB SER A 119 -17.320 5.184 -25.075 1.00 0.00 C ATOM 1745 OG SER A 119 -18.334 6.064 -25.529 1.00 0.00 O ATOM 0 H SER A 119 -18.221 4.890 -22.796 1.00 0.00 H new ATOM 0 HA SER A 119 -18.814 3.643 -25.174 1.00 0.00 H new ATOM 0 HB2 SER A 119 -16.765 5.652 -24.262 1.00 0.00 H new ATOM 0 HB3 SER A 119 -16.609 4.997 -25.880 1.00 0.00 H new ATOM 0 HG SER A 119 -17.928 6.904 -25.828 1.00 0.00 H new ATOM 1751 N GLY A 120 -15.848 2.727 -24.021 1.00 0.00 N ATOM 1752 CA GLY A 120 -14.832 1.699 -24.145 1.00 0.00 C ATOM 1753 C GLY A 120 -14.201 1.670 -25.523 1.00 0.00 C ATOM 1754 O GLY A 120 -13.024 1.338 -25.667 1.00 0.00 O ATOM 0 H GLY A 120 -15.671 3.419 -23.293 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -14.057 1.867 -23.397 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -15.276 0.727 -23.931 1.00 0.00 H new TER 1758 GLY A 120