USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 800 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 93 ASN : amide:sc= -1.72! C(o=-0.49!,f=-1.8!) USER MOD Set 1.2: A 97 SER OG : rot -149:sc= 1.23 USER MOD Set 2.1: A 39 TYR OH : rot 130:sc= 0.711 USER MOD Set 2.2: A 91 GLN : amide:sc= 0.799 K(o=1.5,f=-0.53) USER MOD Set 3.1: A 44 TYR OH : rot 30:sc= -0.346 USER MOD Set 3.2: A 88 TYR OH : rot -110:sc= 2.25 USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= 0.514 USER MOD Set 4.2: A 76 LYS NZ :NH3+ 147:sc= 1.4 (180deg=1.17) USER MOD Set 5.1: A 69 SER OG : rot 180:sc= 0.182 USER MOD Set 5.2: A 87 LYS NZ :NH3+ -179:sc= 1.32 (180deg=1.12) USER MOD Set 6.1: A 42 ASN : amide:sc= 1.3 K(o=2.3,f=0.63) USER MOD Set 6.2: A 62 SER OG : rot -66:sc= 0.961 USER MOD Set 7.1: A 29 GLN : amide:sc= 0.475 K(o=0.79,f=-1.8) USER MOD Set 7.2: A 107 ASN : amide:sc= 0.316 K(o=0.79,f=-1.8!) USER MOD Set 8.1: A 27 THR OG1 : rot 69:sc= 0.995 USER MOD Set 8.2: A 74 MET CE :methyl 152:sc= -2.52 (180deg=-5.26!) USER MOD Single : A 6 GLN : amide:sc= 0.398 K(o=0.4,f=-3.6!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.03) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0154 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.737 USER MOD Single : A 17 ASN : amide:sc= -0.0125 K(o=-0.012,f=-1.6!) USER MOD Single : A 18 TYR OH : rot 0:sc= -0.0913 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.0571 F(o=-1.4,f=-0.057) USER MOD Single : A 21 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.7!) USER MOD Single : A 22 THR OG1 : rot -150:sc= -0.0167 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 32 GLN : amide:sc= 1.19 K(o=1.2,f=-0.51) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.211 F(o=-1.2,f=-0.21) USER MOD Single : A 35 GLN : amide:sc= -0.923 K(o=-0.92,f=-5.4!) USER MOD Single : A 36 THR OG1 : rot 26:sc= 0.573 USER MOD Single : A 40 LYS NZ :NH3+ 155:sc= 3.11 (180deg=1.09!) USER MOD Single : A 41 SER OG : rot -51:sc= 0.52 USER MOD Single : A 47 SER OG : rot -140:sc= 0.00605 USER MOD Single : A 49 ASN : amide:sc= -0.0771 X(o=-0.077,f=-0.077) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= -0.338 (180deg=-1.42!) USER MOD Single : A 51 ASN : amide:sc=-0.00337 X(o=-0.0034,f=-0.0034) USER MOD Single : A 52 ASN : amide:sc= -0.605 K(o=-0.6,f=-5.6!) USER MOD Single : A 60 SER OG : rot 73:sc= 1.26 USER MOD Single : A 64 SER OG : rot -4:sc= 0.276 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -25:sc= 0.438 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 1.16 (180deg=0.966) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 80 ASN : amide:sc= -0.0816 K(o=-0.082,f=-1.4!) USER MOD Single : A 82 THR OG1 : rot 74:sc= 0.0321 USER MOD Single : A 85 SER OG : rot 180:sc= -0.357 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 94 SER OG : rot 180:sc= -0.0528 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.119 F(o=-0.78,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 72 N GLN A 6 -2.655 -12.431 4.113 1.00 41.33 N ATOM 73 CA GLN A 6 -1.664 -13.453 3.881 1.00 55.05 C ATOM 74 C GLN A 6 -0.281 -12.836 3.947 1.00 0.22 C ATOM 75 O GLN A 6 -0.076 -11.714 3.487 1.00 50.03 O ATOM 76 CB GLN A 6 -1.878 -14.066 2.490 1.00 71.44 C ATOM 77 CG GLN A 6 -3.237 -14.723 2.297 1.00 22.10 C ATOM 78 CD GLN A 6 -3.499 -15.119 0.864 1.00 51.35 C ATOM 79 OE1 GLN A 6 -4.041 -14.336 0.081 1.00 12.31 O ATOM 80 NE2 GLN A 6 -3.129 -16.323 0.503 1.00 3.43 N ATOM 0 HA GLN A 6 -1.757 -14.229 4.641 1.00 55.05 H new ATOM 0 HB2 GLN A 6 -1.755 -13.286 1.739 1.00 71.44 H new ATOM 0 HB3 GLN A 6 -1.100 -14.808 2.309 1.00 71.44 H new ATOM 0 HG2 GLN A 6 -3.301 -15.608 2.931 1.00 22.10 H new ATOM 0 HG3 GLN A 6 -4.017 -14.037 2.628 1.00 22.10 H new ATOM 0 HE21 GLN A 6 -2.683 -16.944 1.179 1.00 3.43 H new ATOM 0 HE22 GLN A 6 -3.287 -16.640 -0.454 1.00 3.43 H new ATOM 89 N TYR A 7 0.640 -13.536 4.549 1.00 12.33 N ATOM 90 CA TYR A 7 2.015 -13.101 4.618 1.00 34.51 C ATOM 91 C TYR A 7 2.899 -14.147 3.964 1.00 15.10 C ATOM 92 O TYR A 7 2.799 -15.331 4.292 1.00 54.23 O ATOM 93 CB TYR A 7 2.447 -12.861 6.079 1.00 45.14 C ATOM 94 CG TYR A 7 3.923 -12.529 6.232 1.00 73.30 C ATOM 95 CD1 TYR A 7 4.407 -11.268 5.930 1.00 61.23 C ATOM 96 CD2 TYR A 7 4.828 -13.494 6.660 1.00 24.35 C ATOM 97 CE1 TYR A 7 5.751 -10.976 6.048 1.00 25.23 C ATOM 98 CE2 TYR A 7 6.169 -13.206 6.786 1.00 25.10 C ATOM 99 CZ TYR A 7 6.625 -11.947 6.478 1.00 61.13 C ATOM 100 OH TYR A 7 7.963 -11.665 6.581 1.00 0.43 O ATOM 0 H TYR A 7 0.461 -14.429 5.009 1.00 12.33 H new ATOM 0 HA TYR A 7 2.117 -12.155 4.087 1.00 34.51 H new ATOM 0 HB2 TYR A 7 1.855 -12.046 6.495 1.00 45.14 H new ATOM 0 HB3 TYR A 7 2.221 -13.751 6.667 1.00 45.14 H new ATOM 0 HD1 TYR A 7 3.723 -10.501 5.597 1.00 61.23 H new ATOM 0 HD2 TYR A 7 4.473 -14.486 6.898 1.00 24.35 H new ATOM 0 HE1 TYR A 7 6.115 -9.989 5.804 1.00 25.23 H new ATOM 0 HE2 TYR A 7 6.858 -13.965 7.125 1.00 25.10 H new ATOM 0 HH TYR A 7 8.441 -12.459 6.900 1.00 0.43 H new ATOM 110 N LYS A 8 3.733 -13.734 3.038 1.00 32.50 N ATOM 111 CA LYS A 8 4.627 -14.657 2.376 1.00 24.11 C ATOM 112 C LYS A 8 5.880 -13.931 1.905 1.00 3.22 C ATOM 113 O LYS A 8 5.786 -12.989 1.164 1.00 64.41 O ATOM 114 CB LYS A 8 3.906 -15.328 1.182 1.00 65.44 C ATOM 115 CG LYS A 8 4.703 -16.423 0.455 1.00 50.13 C ATOM 116 CD LYS A 8 5.051 -17.592 1.378 1.00 21.42 C ATOM 117 CE LYS A 8 5.742 -18.739 0.626 1.00 64.30 C ATOM 118 NZ LYS A 8 7.034 -18.341 0.017 1.00 74.12 N ATOM 0 H LYS A 8 3.812 -12.766 2.726 1.00 32.50 H new ATOM 0 HA LYS A 8 4.924 -15.431 3.083 1.00 24.11 H new ATOM 0 HB2 LYS A 8 2.972 -15.761 1.541 1.00 65.44 H new ATOM 0 HB3 LYS A 8 3.642 -14.556 0.460 1.00 65.44 H new ATOM 0 HG2 LYS A 8 4.123 -16.791 -0.392 1.00 50.13 H new ATOM 0 HG3 LYS A 8 5.621 -15.995 0.051 1.00 50.13 H new ATOM 0 HD2 LYS A 8 5.702 -17.240 2.178 1.00 21.42 H new ATOM 0 HD3 LYS A 8 4.141 -17.964 1.849 1.00 21.42 H new ATOM 0 HE2 LYS A 8 5.912 -19.567 1.315 1.00 64.30 H new ATOM 0 HE3 LYS A 8 5.077 -19.106 -0.156 1.00 64.30 H new ATOM 0 HZ1 LYS A 8 7.443 -19.152 -0.490 1.00 74.12 H new ATOM 0 HZ2 LYS A 8 6.877 -17.559 -0.650 1.00 74.12 H new ATOM 0 HZ3 LYS A 8 7.689 -18.033 0.763 1.00 74.12 H new ATOM 132 N ASP A 9 7.033 -14.365 2.404 1.00 22.20 N ATOM 133 CA ASP A 9 8.389 -13.878 1.978 1.00 15.05 C ATOM 134 C ASP A 9 8.532 -12.358 2.111 1.00 65.15 C ATOM 135 O ASP A 9 9.197 -11.716 1.310 1.00 15.51 O ATOM 136 CB ASP A 9 8.678 -14.274 0.509 1.00 61.34 C ATOM 137 CG ASP A 9 8.378 -15.715 0.201 1.00 21.44 C ATOM 138 OD1 ASP A 9 8.798 -16.630 0.962 1.00 54.34 O ATOM 139 OD2 ASP A 9 7.664 -15.991 -0.793 1.00 54.43 O ATOM 0 H ASP A 9 7.078 -15.079 3.131 1.00 22.20 H new ATOM 0 HA ASP A 9 9.108 -14.354 2.645 1.00 15.05 H new ATOM 0 HB2 ASP A 9 8.087 -13.640 -0.152 1.00 61.34 H new ATOM 0 HB3 ASP A 9 9.727 -14.075 0.288 1.00 61.34 H new ATOM 144 N GLY A 10 7.957 -11.796 3.147 1.00 63.30 N ATOM 145 CA GLY A 10 8.053 -10.364 3.352 1.00 0.23 C ATOM 146 C GLY A 10 6.849 -9.617 2.805 1.00 41.45 C ATOM 147 O GLY A 10 6.561 -8.487 3.224 1.00 61.13 O ATOM 0 H GLY A 10 7.423 -12.298 3.856 1.00 63.30 H new ATOM 0 HA2 GLY A 10 8.151 -10.158 4.418 1.00 0.23 H new ATOM 0 HA3 GLY A 10 8.957 -9.991 2.871 1.00 0.23 H new ATOM 151 N TYR A 11 6.155 -10.250 1.888 1.00 23.42 N ATOM 152 CA TYR A 11 4.960 -9.708 1.256 1.00 60.42 C ATOM 153 C TYR A 11 3.798 -9.780 2.229 1.00 33.32 C ATOM 154 O TYR A 11 3.601 -10.803 2.901 1.00 52.21 O ATOM 155 CB TYR A 11 4.566 -10.516 -0.011 1.00 53.23 C ATOM 156 CG TYR A 11 5.558 -10.537 -1.176 1.00 41.34 C ATOM 157 CD1 TYR A 11 6.924 -10.738 -0.985 1.00 10.42 C ATOM 158 CD2 TYR A 11 5.104 -10.395 -2.482 1.00 4.42 C ATOM 159 CE1 TYR A 11 7.799 -10.786 -2.046 1.00 61.44 C ATOM 160 CE2 TYR A 11 5.978 -10.441 -3.553 1.00 11.34 C ATOM 161 CZ TYR A 11 7.323 -10.637 -3.326 1.00 24.31 C ATOM 162 OH TYR A 11 8.199 -10.679 -4.387 1.00 34.13 O ATOM 0 H TYR A 11 6.406 -11.178 1.548 1.00 23.42 H new ATOM 0 HA TYR A 11 5.178 -8.679 0.972 1.00 60.42 H new ATOM 0 HB2 TYR A 11 4.382 -11.547 0.292 1.00 53.23 H new ATOM 0 HB3 TYR A 11 3.621 -10.119 -0.382 1.00 53.23 H new ATOM 0 HD1 TYR A 11 7.304 -10.859 0.019 1.00 10.42 H new ATOM 0 HD2 TYR A 11 4.050 -10.246 -2.664 1.00 4.42 H new ATOM 0 HE1 TYR A 11 8.854 -10.940 -1.873 1.00 61.44 H new ATOM 0 HE2 TYR A 11 5.609 -10.324 -4.561 1.00 11.34 H new ATOM 0 HH TYR A 11 7.704 -10.559 -5.224 1.00 34.13 H new ATOM 172 N TYR A 12 3.049 -8.721 2.305 1.00 13.43 N ATOM 173 CA TYR A 12 1.881 -8.663 3.139 1.00 63.32 C ATOM 174 C TYR A 12 0.693 -8.387 2.239 1.00 54.35 C ATOM 175 O TYR A 12 0.622 -7.336 1.597 1.00 1.14 O ATOM 176 CB TYR A 12 2.027 -7.550 4.186 1.00 30.13 C ATOM 177 CG TYR A 12 0.923 -7.509 5.231 1.00 3.21 C ATOM 178 CD1 TYR A 12 -0.285 -6.856 4.983 1.00 63.30 C ATOM 179 CD2 TYR A 12 1.101 -8.101 6.474 1.00 33.03 C ATOM 180 CE1 TYR A 12 -1.273 -6.800 5.942 1.00 41.53 C ATOM 181 CE2 TYR A 12 0.111 -8.051 7.437 1.00 24.13 C ATOM 182 CZ TYR A 12 -1.073 -7.398 7.164 1.00 43.41 C ATOM 183 OH TYR A 12 -2.055 -7.333 8.122 1.00 42.14 O ATOM 0 H TYR A 12 3.232 -7.863 1.785 1.00 13.43 H new ATOM 0 HA TYR A 12 1.746 -9.603 3.673 1.00 63.32 H new ATOM 0 HB2 TYR A 12 2.984 -7.671 4.693 1.00 30.13 H new ATOM 0 HB3 TYR A 12 2.058 -6.589 3.672 1.00 30.13 H new ATOM 0 HD1 TYR A 12 -0.448 -6.387 4.024 1.00 63.30 H new ATOM 0 HD2 TYR A 12 2.029 -8.609 6.692 1.00 33.03 H new ATOM 0 HE1 TYR A 12 -2.201 -6.288 5.735 1.00 41.53 H new ATOM 0 HE2 TYR A 12 0.263 -8.520 8.398 1.00 24.13 H new ATOM 0 HH TYR A 12 -1.758 -7.806 8.927 1.00 42.14 H new ATOM 193 N ILE A 13 -0.212 -9.305 2.180 1.00 61.00 N ATOM 194 CA ILE A 13 -1.365 -9.195 1.320 1.00 63.31 C ATOM 195 C ILE A 13 -2.618 -9.152 2.191 1.00 63.33 C ATOM 196 O ILE A 13 -2.699 -9.877 3.171 1.00 24.50 O ATOM 197 CB ILE A 13 -1.442 -10.415 0.358 1.00 51.11 C ATOM 198 CG1 ILE A 13 -0.071 -10.673 -0.299 1.00 71.24 C ATOM 199 CG2 ILE A 13 -2.486 -10.158 -0.718 1.00 62.12 C ATOM 200 CD1 ILE A 13 -0.021 -11.910 -1.177 1.00 22.53 C ATOM 0 H ILE A 13 -0.181 -10.165 2.728 1.00 61.00 H new ATOM 0 HA ILE A 13 -1.288 -8.287 0.722 1.00 63.31 H new ATOM 0 HB ILE A 13 -1.725 -11.296 0.935 1.00 51.11 H new ATOM 0 HG12 ILE A 13 0.200 -9.805 -0.899 1.00 71.24 H new ATOM 0 HG13 ILE A 13 0.682 -10.767 0.484 1.00 71.24 H new ATOM 0 HG21 ILE A 13 -2.536 -11.016 -1.389 1.00 62.12 H new ATOM 0 HG22 ILE A 13 -3.459 -10.005 -0.252 1.00 62.12 H new ATOM 0 HG23 ILE A 13 -2.212 -9.269 -1.286 1.00 62.12 H new ATOM 0 HD11 ILE A 13 0.978 -12.016 -1.599 1.00 22.53 H new ATOM 0 HD12 ILE A 13 -0.258 -12.790 -0.579 1.00 22.53 H new ATOM 0 HD13 ILE A 13 -0.747 -11.813 -1.984 1.00 22.53 H new ATOM 212 N THR A 14 -3.553 -8.285 1.878 1.00 72.24 N ATOM 213 CA THR A 14 -4.772 -8.181 2.641 1.00 22.14 C ATOM 214 C THR A 14 -5.873 -7.521 1.787 1.00 20.03 C ATOM 215 O THR A 14 -5.614 -7.035 0.685 1.00 21.01 O ATOM 216 CB THR A 14 -4.544 -7.398 3.985 1.00 63.20 C ATOM 217 OG1 THR A 14 -5.704 -7.501 4.844 1.00 24.24 O ATOM 218 CG2 THR A 14 -4.235 -5.923 3.725 1.00 14.25 C ATOM 0 H THR A 14 -3.490 -7.637 1.093 1.00 72.24 H new ATOM 0 HA THR A 14 -5.097 -9.186 2.910 1.00 22.14 H new ATOM 0 HB THR A 14 -3.687 -7.853 4.482 1.00 63.20 H new ATOM 0 HG1 THR A 14 -5.540 -7.008 5.675 1.00 24.24 H new ATOM 0 HG21 THR A 14 -4.083 -5.410 4.675 1.00 14.25 H new ATOM 0 HG22 THR A 14 -3.332 -5.842 3.120 1.00 14.25 H new ATOM 0 HG23 THR A 14 -5.070 -5.464 3.195 1.00 14.25 H new ATOM 226 N THR A 15 -7.074 -7.537 2.274 1.00 50.44 N ATOM 227 CA THR A 15 -8.180 -6.944 1.585 1.00 41.11 C ATOM 228 C THR A 15 -8.712 -5.834 2.472 1.00 74.13 C ATOM 229 O THR A 15 -8.713 -5.980 3.703 1.00 12.44 O ATOM 230 CB THR A 15 -9.285 -7.995 1.340 1.00 44.22 C ATOM 231 OG1 THR A 15 -8.692 -9.181 0.776 1.00 10.24 O ATOM 232 CG2 THR A 15 -10.342 -7.467 0.373 1.00 42.01 C ATOM 0 H THR A 15 -7.318 -7.965 3.167 1.00 50.44 H new ATOM 0 HA THR A 15 -7.866 -6.556 0.616 1.00 41.11 H new ATOM 0 HB THR A 15 -9.763 -8.219 2.293 1.00 44.22 H new ATOM 0 HG1 THR A 15 -9.389 -9.852 0.620 1.00 10.24 H new ATOM 0 HG21 THR A 15 -11.107 -8.228 0.219 1.00 42.01 H new ATOM 0 HG22 THR A 15 -10.801 -6.570 0.790 1.00 42.01 H new ATOM 0 HG23 THR A 15 -9.874 -7.225 -0.581 1.00 42.01 H new ATOM 240 N LEU A 16 -9.098 -4.738 1.889 1.00 52.22 N ATOM 241 CA LEU A 16 -9.610 -3.643 2.642 1.00 55.32 C ATOM 242 C LEU A 16 -10.975 -3.295 2.096 1.00 40.03 C ATOM 243 O LEU A 16 -11.121 -3.005 0.897 1.00 11.52 O ATOM 244 CB LEU A 16 -8.680 -2.444 2.522 1.00 31.44 C ATOM 245 CG LEU A 16 -8.886 -1.346 3.555 1.00 71.14 C ATOM 246 CD1 LEU A 16 -8.579 -1.863 4.961 1.00 63.35 C ATOM 247 CD2 LEU A 16 -8.040 -0.133 3.225 1.00 5.32 C ATOM 0 H LEU A 16 -9.065 -4.583 0.881 1.00 52.22 H new ATOM 0 HA LEU A 16 -9.683 -3.914 3.695 1.00 55.32 H new ATOM 0 HB2 LEU A 16 -7.651 -2.796 2.593 1.00 31.44 H new ATOM 0 HB3 LEU A 16 -8.801 -2.011 1.529 1.00 31.44 H new ATOM 0 HG LEU A 16 -9.933 -1.043 3.528 1.00 71.14 H new ATOM 0 HD11 LEU A 16 -8.732 -1.062 5.685 1.00 63.35 H new ATOM 0 HD12 LEU A 16 -9.242 -2.696 5.195 1.00 63.35 H new ATOM 0 HD13 LEU A 16 -7.543 -2.200 5.007 1.00 63.35 H new ATOM 0 HD21 LEU A 16 -8.203 0.640 3.976 1.00 5.32 H new ATOM 0 HD22 LEU A 16 -6.987 -0.415 3.217 1.00 5.32 H new ATOM 0 HD23 LEU A 16 -8.321 0.250 2.244 1.00 5.32 H new ATOM 259 N ASN A 17 -11.968 -3.318 2.944 1.00 71.02 N ATOM 260 CA ASN A 17 -13.335 -3.066 2.515 1.00 25.31 C ATOM 261 C ASN A 17 -13.645 -1.583 2.477 1.00 33.34 C ATOM 262 O ASN A 17 -14.418 -1.077 3.285 1.00 61.42 O ATOM 263 CB ASN A 17 -14.382 -3.820 3.371 1.00 74.35 C ATOM 264 CG ASN A 17 -14.313 -5.343 3.256 1.00 41.51 C ATOM 265 OD1 ASN A 17 -13.254 -5.927 3.054 1.00 11.23 O ATOM 266 ND2 ASN A 17 -15.446 -5.993 3.386 1.00 30.14 N ATOM 0 H ASN A 17 -11.865 -3.508 3.941 1.00 71.02 H new ATOM 0 HA ASN A 17 -13.408 -3.458 1.501 1.00 25.31 H new ATOM 0 HB2 ASN A 17 -14.248 -3.540 4.416 1.00 74.35 H new ATOM 0 HB3 ASN A 17 -15.379 -3.490 3.078 1.00 74.35 H new ATOM 0 HD21 ASN A 17 -15.461 -7.011 3.320 1.00 30.14 H new ATOM 0 HD22 ASN A 17 -16.312 -5.480 3.554 1.00 30.14 H new ATOM 273 N TYR A 18 -12.981 -0.892 1.583 1.00 15.22 N ATOM 274 CA TYR A 18 -13.192 0.519 1.338 1.00 73.54 C ATOM 275 C TYR A 18 -13.009 0.751 -0.142 1.00 74.33 C ATOM 276 O TYR A 18 -12.368 -0.071 -0.815 1.00 32.13 O ATOM 277 CB TYR A 18 -12.238 1.435 2.150 1.00 34.32 C ATOM 278 CG TYR A 18 -12.431 1.412 3.667 1.00 71.05 C ATOM 279 CD1 TYR A 18 -13.625 1.832 4.249 1.00 35.11 C ATOM 280 CD2 TYR A 18 -11.420 0.980 4.510 1.00 2.12 C ATOM 281 CE1 TYR A 18 -13.799 1.810 5.625 1.00 44.30 C ATOM 282 CE2 TYR A 18 -11.584 0.957 5.882 1.00 2.35 C ATOM 283 CZ TYR A 18 -12.772 1.368 6.436 1.00 51.25 C ATOM 284 OH TYR A 18 -12.943 1.338 7.814 1.00 74.42 O ATOM 0 H TYR A 18 -12.260 -1.303 0.989 1.00 15.22 H new ATOM 0 HA TYR A 18 -14.197 0.782 1.667 1.00 73.54 H new ATOM 0 HB2 TYR A 18 -11.211 1.147 1.928 1.00 34.32 H new ATOM 0 HB3 TYR A 18 -12.364 2.460 1.801 1.00 34.32 H new ATOM 0 HD1 TYR A 18 -14.429 2.181 3.618 1.00 35.11 H new ATOM 0 HD2 TYR A 18 -10.482 0.654 4.085 1.00 2.12 H new ATOM 0 HE1 TYR A 18 -14.732 2.137 6.060 1.00 44.30 H new ATOM 0 HE2 TYR A 18 -10.780 0.617 6.517 1.00 2.35 H new ATOM 0 HH TYR A 18 -13.842 1.657 8.039 1.00 74.42 H new ATOM 294 N ASN A 19 -13.532 1.862 -0.637 1.00 23.30 N ATOM 295 CA ASN A 19 -13.541 2.159 -2.068 1.00 4.54 C ATOM 296 C ASN A 19 -12.162 2.399 -2.625 1.00 21.12 C ATOM 297 O ASN A 19 -11.369 3.113 -2.044 1.00 23.32 O ATOM 298 CB ASN A 19 -14.471 3.330 -2.391 1.00 42.40 C ATOM 299 CG ASN A 19 -15.965 2.986 -2.367 1.00 70.14 C ATOM 300 OD1 ASN A 19 -16.351 1.951 -1.659 1.00 14.15 O flip ATOM 301 ND2 ASN A 19 -16.755 3.628 -3.032 1.00 25.44 N flip ATOM 0 H ASN A 19 -13.963 2.585 -0.061 1.00 23.30 H new ATOM 0 HA ASN A 19 -13.929 1.267 -2.560 1.00 4.54 H new ATOM 0 HB2 ASN A 19 -14.285 4.132 -1.677 1.00 42.40 H new ATOM 0 HB3 ASN A 19 -14.217 3.717 -3.378 1.00 42.40 H new ATOM 0 HD21 ASN A 19 -16.432 4.429 -3.575 1.00 25.44 H new ATOM 0 HD22 ASN A 19 -17.741 3.366 -3.047 1.00 25.44 H new ATOM 308 N PHE A 20 -11.910 1.805 -3.764 1.00 10.01 N ATOM 309 CA PHE A 20 -10.620 1.829 -4.438 1.00 75.33 C ATOM 310 C PHE A 20 -10.026 3.235 -4.680 1.00 41.42 C ATOM 311 O PHE A 20 -8.850 3.465 -4.385 1.00 2.32 O ATOM 312 CB PHE A 20 -10.754 1.018 -5.724 1.00 41.41 C ATOM 313 CG PHE A 20 -9.704 1.234 -6.761 1.00 23.20 C ATOM 314 CD1 PHE A 20 -8.481 0.608 -6.675 1.00 72.33 C ATOM 315 CD2 PHE A 20 -9.961 2.056 -7.846 1.00 44.00 C ATOM 316 CE1 PHE A 20 -7.539 0.798 -7.645 1.00 62.24 C ATOM 317 CE2 PHE A 20 -9.025 2.247 -8.818 1.00 51.14 C ATOM 318 CZ PHE A 20 -7.817 1.622 -8.721 1.00 51.54 C ATOM 0 H PHE A 20 -12.616 1.271 -4.271 1.00 10.01 H new ATOM 0 HA PHE A 20 -9.886 1.378 -3.770 1.00 75.33 H new ATOM 0 HB2 PHE A 20 -10.761 -0.040 -5.461 1.00 41.41 H new ATOM 0 HB3 PHE A 20 -11.724 1.242 -6.169 1.00 41.41 H new ATOM 0 HD1 PHE A 20 -8.265 -0.037 -5.836 1.00 72.33 H new ATOM 0 HD2 PHE A 20 -10.917 2.553 -7.923 1.00 44.00 H new ATOM 0 HE1 PHE A 20 -6.580 0.307 -7.573 1.00 62.24 H new ATOM 0 HE2 PHE A 20 -9.239 2.889 -9.660 1.00 51.14 H new ATOM 0 HZ PHE A 20 -7.072 1.771 -9.489 1.00 51.54 H new ATOM 328 N ASN A 21 -10.839 4.173 -5.158 1.00 43.32 N ATOM 329 CA ASN A 21 -10.335 5.525 -5.522 1.00 5.21 C ATOM 330 C ASN A 21 -9.929 6.227 -4.263 1.00 13.23 C ATOM 331 O ASN A 21 -8.924 6.934 -4.180 1.00 34.22 O ATOM 332 CB ASN A 21 -11.416 6.371 -6.241 1.00 73.15 C ATOM 333 CG ASN A 21 -11.910 5.794 -7.567 1.00 3.04 C ATOM 334 OD1 ASN A 21 -11.962 4.588 -7.767 1.00 21.40 O ATOM 335 ND2 ASN A 21 -12.286 6.659 -8.479 1.00 33.25 N ATOM 0 H ASN A 21 -11.839 4.040 -5.307 1.00 43.32 H new ATOM 0 HA ASN A 21 -9.494 5.408 -6.205 1.00 5.21 H new ATOM 0 HB2 ASN A 21 -12.269 6.488 -5.572 1.00 73.15 H new ATOM 0 HB3 ASN A 21 -11.015 7.368 -6.423 1.00 73.15 H new ATOM 0 HD21 ASN A 21 -12.632 6.331 -9.381 1.00 33.25 H new ATOM 0 HD22 ASN A 21 -12.232 7.659 -8.286 1.00 33.25 H new ATOM 342 N THR A 22 -10.726 5.975 -3.294 1.00 3.33 N ATOM 343 CA THR A 22 -10.624 6.456 -1.984 1.00 14.43 C ATOM 344 C THR A 22 -9.324 5.925 -1.314 1.00 14.15 C ATOM 345 O THR A 22 -8.540 6.697 -0.746 1.00 25.51 O ATOM 346 CB THR A 22 -11.864 5.900 -1.307 1.00 3.21 C ATOM 347 OG1 THR A 22 -13.017 6.257 -2.088 1.00 62.24 O ATOM 348 CG2 THR A 22 -12.031 6.383 0.071 1.00 73.13 C ATOM 0 H THR A 22 -11.538 5.370 -3.418 1.00 3.33 H new ATOM 0 HA THR A 22 -10.568 7.543 -1.922 1.00 14.43 H new ATOM 0 HB THR A 22 -11.750 4.818 -1.248 1.00 3.21 H new ATOM 0 HG1 THR A 22 -13.795 6.350 -1.499 1.00 62.24 H new ATOM 0 HG21 THR A 22 -12.934 5.951 0.501 1.00 73.13 H new ATOM 0 HG22 THR A 22 -11.168 6.087 0.667 1.00 73.13 H new ATOM 0 HG23 THR A 22 -12.115 7.470 0.068 1.00 73.13 H new ATOM 356 N VAL A 23 -9.100 4.619 -1.432 1.00 0.24 N ATOM 357 CA VAL A 23 -7.924 3.966 -0.866 1.00 74.22 C ATOM 358 C VAL A 23 -6.639 4.465 -1.539 1.00 73.12 C ATOM 359 O VAL A 23 -5.611 4.638 -0.867 1.00 53.42 O ATOM 360 CB VAL A 23 -8.026 2.400 -0.963 1.00 1.00 C ATOM 361 CG1 VAL A 23 -6.773 1.723 -0.439 1.00 23.12 C ATOM 362 CG2 VAL A 23 -9.222 1.894 -0.181 1.00 51.31 C ATOM 0 H VAL A 23 -9.729 3.984 -1.923 1.00 0.24 H new ATOM 0 HA VAL A 23 -7.885 4.232 0.190 1.00 74.22 H new ATOM 0 HB VAL A 23 -8.142 2.153 -2.018 1.00 1.00 H new ATOM 0 HG11 VAL A 23 -6.882 0.642 -0.523 1.00 23.12 H new ATOM 0 HG12 VAL A 23 -5.912 2.048 -1.024 1.00 23.12 H new ATOM 0 HG13 VAL A 23 -6.624 1.993 0.606 1.00 23.12 H new ATOM 0 HG21 VAL A 23 -9.276 0.808 -0.260 1.00 51.31 H new ATOM 0 HG22 VAL A 23 -9.118 2.177 0.867 1.00 51.31 H new ATOM 0 HG23 VAL A 23 -10.134 2.333 -0.586 1.00 51.31 H new ATOM 372 N TYR A 24 -6.709 4.732 -2.848 1.00 52.10 N ATOM 373 CA TYR A 24 -5.538 5.200 -3.601 1.00 32.14 C ATOM 374 C TYR A 24 -4.976 6.481 -3.022 1.00 52.13 C ATOM 375 O TYR A 24 -3.771 6.575 -2.773 1.00 43.11 O ATOM 376 CB TYR A 24 -5.852 5.385 -5.098 1.00 71.23 C ATOM 377 CG TYR A 24 -4.679 5.950 -5.900 1.00 61.11 C ATOM 378 CD1 TYR A 24 -3.523 5.201 -6.107 1.00 74.13 C ATOM 379 CD2 TYR A 24 -4.729 7.231 -6.441 1.00 55.23 C ATOM 380 CE1 TYR A 24 -2.457 5.709 -6.826 1.00 43.42 C ATOM 381 CE2 TYR A 24 -3.667 7.747 -7.164 1.00 24.43 C ATOM 382 CZ TYR A 24 -2.533 6.981 -7.354 1.00 42.31 C ATOM 383 OH TYR A 24 -1.465 7.495 -8.071 1.00 72.22 O ATOM 0 H TYR A 24 -7.557 4.633 -3.405 1.00 52.10 H new ATOM 0 HA TYR A 24 -4.781 4.421 -3.509 1.00 32.14 H new ATOM 0 HB2 TYR A 24 -6.143 4.424 -5.522 1.00 71.23 H new ATOM 0 HB3 TYR A 24 -6.708 6.051 -5.202 1.00 71.23 H new ATOM 0 HD1 TYR A 24 -3.458 4.204 -5.698 1.00 74.13 H new ATOM 0 HD2 TYR A 24 -5.613 7.834 -6.294 1.00 55.23 H new ATOM 0 HE1 TYR A 24 -1.569 5.113 -6.974 1.00 43.42 H new ATOM 0 HE2 TYR A 24 -3.725 8.743 -7.577 1.00 24.43 H new ATOM 0 HH TYR A 24 -1.681 8.401 -8.375 1.00 72.22 H new ATOM 393 N ASN A 25 -5.849 7.423 -2.745 1.00 3.33 N ATOM 394 CA ASN A 25 -5.442 8.706 -2.216 1.00 2.54 C ATOM 395 C ASN A 25 -4.815 8.554 -0.848 1.00 35.30 C ATOM 396 O ASN A 25 -3.723 9.059 -0.598 1.00 63.54 O ATOM 397 CB ASN A 25 -6.625 9.674 -2.153 1.00 60.23 C ATOM 398 CG ASN A 25 -7.157 10.063 -3.522 1.00 14.25 C ATOM 399 OD1 ASN A 25 -6.428 10.099 -4.500 1.00 14.04 O ATOM 400 ND2 ASN A 25 -8.431 10.361 -3.599 1.00 34.33 N ATOM 0 H ASN A 25 -6.855 7.323 -2.879 1.00 3.33 H new ATOM 0 HA ASN A 25 -4.695 9.120 -2.893 1.00 2.54 H new ATOM 0 HB2 ASN A 25 -7.429 9.218 -1.575 1.00 60.23 H new ATOM 0 HB3 ASN A 25 -6.321 10.575 -1.620 1.00 60.23 H new ATOM 0 HD21 ASN A 25 -8.838 10.632 -4.494 1.00 34.33 H new ATOM 0 HD22 ASN A 25 -9.015 10.322 -2.764 1.00 34.33 H new ATOM 407 N ALA A 26 -5.478 7.792 0.007 1.00 70.12 N ATOM 408 CA ALA A 26 -5.029 7.584 1.373 1.00 20.14 C ATOM 409 C ALA A 26 -3.663 6.888 1.426 1.00 73.10 C ATOM 410 O ALA A 26 -2.783 7.284 2.199 1.00 64.33 O ATOM 411 CB ALA A 26 -6.070 6.794 2.145 1.00 23.12 C ATOM 0 H ALA A 26 -6.341 7.301 -0.226 1.00 70.12 H new ATOM 0 HA ALA A 26 -4.906 8.561 1.840 1.00 20.14 H new ATOM 0 HB1 ALA A 26 -5.726 6.642 3.168 1.00 23.12 H new ATOM 0 HB2 ALA A 26 -7.010 7.345 2.156 1.00 23.12 H new ATOM 0 HB3 ALA A 26 -6.222 5.827 1.666 1.00 23.12 H new ATOM 417 N THR A 27 -3.486 5.884 0.584 1.00 54.44 N ATOM 418 CA THR A 27 -2.244 5.130 0.525 1.00 3.12 C ATOM 419 C THR A 27 -1.110 6.008 0.001 1.00 14.23 C ATOM 420 O THR A 27 -0.001 6.018 0.561 1.00 14.41 O ATOM 421 CB THR A 27 -2.403 3.903 -0.389 1.00 10.53 C ATOM 422 OG1 THR A 27 -3.543 3.145 0.039 1.00 52.13 O ATOM 423 CG2 THR A 27 -1.162 3.020 -0.346 1.00 63.44 C ATOM 0 H THR A 27 -4.197 5.569 -0.076 1.00 54.44 H new ATOM 0 HA THR A 27 -2.002 4.797 1.534 1.00 3.12 H new ATOM 0 HB THR A 27 -2.540 4.248 -1.414 1.00 10.53 H new ATOM 0 HG1 THR A 27 -4.362 3.648 -0.154 1.00 52.13 H new ATOM 0 HG21 THR A 27 -1.304 2.161 -1.002 1.00 63.44 H new ATOM 0 HG22 THR A 27 -0.296 3.592 -0.680 1.00 63.44 H new ATOM 0 HG23 THR A 27 -0.997 2.674 0.674 1.00 63.44 H new ATOM 431 N LEU A 28 -1.412 6.767 -1.049 1.00 61.22 N ATOM 432 CA LEU A 28 -0.458 7.657 -1.676 1.00 4.23 C ATOM 433 C LEU A 28 0.064 8.657 -0.652 1.00 31.24 C ATOM 434 O LEU A 28 1.262 8.786 -0.464 1.00 71.30 O ATOM 435 CB LEU A 28 -1.147 8.406 -2.812 1.00 71.42 C ATOM 436 CG LEU A 28 -0.292 9.370 -3.627 1.00 53.04 C ATOM 437 CD1 LEU A 28 0.692 8.607 -4.488 1.00 13.24 C ATOM 438 CD2 LEU A 28 -1.181 10.249 -4.481 1.00 4.22 C ATOM 0 H LEU A 28 -2.333 6.777 -1.486 1.00 61.22 H new ATOM 0 HA LEU A 28 0.378 7.078 -2.068 1.00 4.23 H new ATOM 0 HB2 LEU A 28 -1.571 7.670 -3.495 1.00 71.42 H new ATOM 0 HB3 LEU A 28 -1.981 8.967 -2.390 1.00 71.42 H new ATOM 0 HG LEU A 28 0.276 10.003 -2.945 1.00 53.04 H new ATOM 0 HD11 LEU A 28 1.294 9.310 -5.063 1.00 13.24 H new ATOM 0 HD12 LEU A 28 1.343 8.007 -3.852 1.00 13.24 H new ATOM 0 HD13 LEU A 28 0.148 7.953 -5.170 1.00 13.24 H new ATOM 0 HD21 LEU A 28 -0.564 10.936 -5.061 1.00 4.22 H new ATOM 0 HD22 LEU A 28 -1.766 9.626 -5.158 1.00 4.22 H new ATOM 0 HD23 LEU A 28 -1.854 10.819 -3.840 1.00 4.22 H new ATOM 450 N GLN A 29 -0.854 9.306 0.041 1.00 42.41 N ATOM 451 CA GLN A 29 -0.513 10.274 1.080 1.00 10.31 C ATOM 452 C GLN A 29 0.353 9.656 2.175 1.00 74.31 C ATOM 453 O GLN A 29 1.334 10.256 2.599 1.00 52.11 O ATOM 454 CB GLN A 29 -1.766 10.879 1.719 1.00 71.40 C ATOM 455 CG GLN A 29 -2.642 11.673 0.771 1.00 41.41 C ATOM 456 CD GLN A 29 -3.802 12.329 1.488 1.00 62.02 C ATOM 457 OE1 GLN A 29 -4.873 11.753 1.630 1.00 31.41 O ATOM 458 NE2 GLN A 29 -3.595 13.537 1.953 1.00 62.24 N ATOM 0 H GLN A 29 -1.857 9.181 -0.097 1.00 42.41 H new ATOM 0 HA GLN A 29 0.055 11.062 0.584 1.00 10.31 H new ATOM 0 HB2 GLN A 29 -2.360 10.075 2.153 1.00 71.40 H new ATOM 0 HB3 GLN A 29 -1.461 11.528 2.540 1.00 71.40 H new ATOM 0 HG2 GLN A 29 -2.042 12.437 0.277 1.00 41.41 H new ATOM 0 HG3 GLN A 29 -3.024 11.014 -0.009 1.00 41.41 H new ATOM 0 HE21 GLN A 29 -2.690 13.988 1.817 1.00 62.24 H new ATOM 0 HE22 GLN A 29 -4.339 14.026 2.451 1.00 62.24 H new ATOM 467 N ALA A 30 0.007 8.450 2.595 1.00 51.12 N ATOM 468 CA ALA A 30 0.701 7.788 3.691 1.00 3.34 C ATOM 469 C ALA A 30 2.193 7.590 3.407 1.00 11.41 C ATOM 470 O ALA A 30 3.040 7.936 4.233 1.00 3.24 O ATOM 471 CB ALA A 30 0.046 6.450 3.990 1.00 74.14 C ATOM 0 H ALA A 30 -0.755 7.905 2.191 1.00 51.12 H new ATOM 0 HA ALA A 30 0.623 8.440 4.561 1.00 3.34 H new ATOM 0 HB1 ALA A 30 0.572 5.963 4.811 1.00 74.14 H new ATOM 0 HB2 ALA A 30 -0.995 6.609 4.270 1.00 74.14 H new ATOM 0 HB3 ALA A 30 0.091 5.817 3.104 1.00 74.14 H new ATOM 477 N ILE A 31 2.513 7.080 2.243 1.00 41.42 N ATOM 478 CA ILE A 31 3.905 6.842 1.923 1.00 71.30 C ATOM 479 C ILE A 31 4.585 8.093 1.316 1.00 4.33 C ATOM 480 O ILE A 31 5.648 8.514 1.765 1.00 40.12 O ATOM 481 CB ILE A 31 4.061 5.600 0.970 1.00 43.31 C ATOM 482 CG1 ILE A 31 5.534 5.381 0.592 1.00 54.25 C ATOM 483 CG2 ILE A 31 3.173 5.710 -0.277 1.00 51.43 C ATOM 484 CD1 ILE A 31 5.770 4.207 -0.330 1.00 30.53 C ATOM 0 H ILE A 31 1.847 6.825 1.513 1.00 41.42 H new ATOM 0 HA ILE A 31 4.415 6.621 2.861 1.00 71.30 H new ATOM 0 HB ILE A 31 3.719 4.724 1.522 1.00 43.31 H new ATOM 0 HG12 ILE A 31 5.913 6.285 0.115 1.00 54.25 H new ATOM 0 HG13 ILE A 31 6.113 5.235 1.504 1.00 54.25 H new ATOM 0 HG21 ILE A 31 3.315 4.830 -0.904 1.00 51.43 H new ATOM 0 HG22 ILE A 31 2.128 5.775 0.025 1.00 51.43 H new ATOM 0 HG23 ILE A 31 3.444 6.604 -0.839 1.00 51.43 H new ATOM 0 HD11 ILE A 31 6.835 4.123 -0.547 1.00 30.53 H new ATOM 0 HD12 ILE A 31 5.424 3.292 0.151 1.00 30.53 H new ATOM 0 HD13 ILE A 31 5.221 4.358 -1.260 1.00 30.53 H new ATOM 496 N GLN A 32 3.910 8.724 0.372 1.00 40.23 N ATOM 497 CA GLN A 32 4.468 9.828 -0.397 1.00 22.32 C ATOM 498 C GLN A 32 4.549 11.160 0.363 1.00 11.41 C ATOM 499 O GLN A 32 5.424 11.977 0.101 1.00 74.34 O ATOM 500 CB GLN A 32 3.786 9.924 -1.783 1.00 4.13 C ATOM 501 CG GLN A 32 4.125 11.154 -2.586 1.00 42.53 C ATOM 502 CD GLN A 32 3.881 10.991 -4.065 1.00 45.41 C ATOM 503 OE1 GLN A 32 2.785 11.247 -4.558 1.00 32.35 O ATOM 504 NE2 GLN A 32 4.908 10.615 -4.789 1.00 4.30 N ATOM 0 H GLN A 32 2.953 8.485 0.114 1.00 40.23 H new ATOM 0 HA GLN A 32 5.518 9.594 -0.570 1.00 22.32 H new ATOM 0 HB2 GLN A 32 4.059 9.044 -2.365 1.00 4.13 H new ATOM 0 HB3 GLN A 32 2.706 9.890 -1.641 1.00 4.13 H new ATOM 0 HG2 GLN A 32 3.534 11.993 -2.218 1.00 42.53 H new ATOM 0 HG3 GLN A 32 5.173 11.407 -2.424 1.00 42.53 H new ATOM 0 HE21 GLN A 32 5.801 10.412 -4.340 1.00 4.30 H new ATOM 0 HE22 GLN A 32 4.813 10.526 -5.801 1.00 4.30 H new ATOM 513 N ASN A 33 3.670 11.385 1.319 1.00 35.33 N ATOM 514 CA ASN A 33 3.724 12.653 2.058 1.00 32.34 C ATOM 515 C ASN A 33 4.640 12.565 3.256 1.00 62.21 C ATOM 516 O ASN A 33 4.785 13.526 3.998 1.00 4.32 O ATOM 517 CB ASN A 33 2.336 13.181 2.477 1.00 0.04 C ATOM 518 CG ASN A 33 1.439 13.588 1.308 1.00 55.04 C ATOM 519 OD1 ASN A 33 2.025 14.011 0.206 1.00 33.01 O flip ATOM 520 ND2 ASN A 33 0.215 13.524 1.402 1.00 34.53 N flip ATOM 0 H ASN A 33 2.932 10.741 1.603 1.00 35.33 H new ATOM 0 HA ASN A 33 4.137 13.378 1.356 1.00 32.34 H new ATOM 0 HB2 ASN A 33 1.828 12.412 3.059 1.00 0.04 H new ATOM 0 HB3 ASN A 33 2.470 14.041 3.133 1.00 0.04 H new ATOM 0 HD21 ASN A 33 -0.213 13.193 2.266 1.00 34.53 H new ATOM 0 HD22 ASN A 33 -0.372 13.802 0.616 1.00 34.53 H new ATOM 527 N GLY A 34 5.270 11.413 3.428 1.00 42.13 N ATOM 528 CA GLY A 34 6.199 11.243 4.513 1.00 13.14 C ATOM 529 C GLY A 34 5.509 11.018 5.831 1.00 32.20 C ATOM 530 O GLY A 34 5.964 11.481 6.861 1.00 23.52 O ATOM 0 H GLY A 34 5.151 10.594 2.832 1.00 42.13 H new ATOM 0 HA2 GLY A 34 6.852 10.397 4.299 1.00 13.14 H new ATOM 0 HA3 GLY A 34 6.834 12.126 4.585 1.00 13.14 H new ATOM 534 N GLN A 35 4.426 10.267 5.804 1.00 55.43 N ATOM 535 CA GLN A 35 3.677 9.969 7.020 1.00 63.25 C ATOM 536 C GLN A 35 4.221 8.684 7.618 1.00 10.12 C ATOM 537 O GLN A 35 3.737 8.172 8.630 1.00 2.14 O ATOM 538 CB GLN A 35 2.181 9.829 6.705 1.00 30.25 C ATOM 539 CG GLN A 35 1.556 11.064 6.052 1.00 22.13 C ATOM 540 CD GLN A 35 1.501 12.291 6.961 1.00 54.32 C ATOM 541 OE1 GLN A 35 2.314 12.480 7.842 1.00 3.12 O ATOM 542 NE2 GLN A 35 0.535 13.140 6.731 1.00 13.42 N ATOM 0 H GLN A 35 4.041 9.850 4.957 1.00 55.43 H new ATOM 0 HA GLN A 35 3.791 10.783 7.736 1.00 63.25 H new ATOM 0 HB2 GLN A 35 2.039 8.973 6.045 1.00 30.25 H new ATOM 0 HB3 GLN A 35 1.646 9.611 7.629 1.00 30.25 H new ATOM 0 HG2 GLN A 35 2.124 11.314 5.156 1.00 22.13 H new ATOM 0 HG3 GLN A 35 0.544 10.818 5.730 1.00 22.13 H new ATOM 0 HE21 GLN A 35 -0.136 12.959 5.985 1.00 13.42 H new ATOM 0 HE22 GLN A 35 0.452 13.984 7.298 1.00 13.42 H new ATOM 551 N THR A 36 5.206 8.153 6.951 1.00 1.12 N ATOM 552 CA THR A 36 5.852 6.970 7.326 1.00 40.40 C ATOM 553 C THR A 36 7.307 6.988 6.793 1.00 41.15 C ATOM 554 O THR A 36 7.546 7.275 5.619 1.00 23.33 O ATOM 555 CB THR A 36 5.014 5.786 6.766 1.00 44.24 C ATOM 556 OG1 THR A 36 3.927 5.487 7.648 1.00 70.43 O ATOM 557 CG2 THR A 36 5.832 4.562 6.440 1.00 52.44 C ATOM 0 H THR A 36 5.582 8.566 6.097 1.00 1.12 H new ATOM 0 HA THR A 36 5.921 6.863 8.409 1.00 40.40 H new ATOM 0 HB THR A 36 4.608 6.112 5.808 1.00 44.24 H new ATOM 0 HG1 THR A 36 3.686 6.291 8.154 1.00 70.43 H new ATOM 0 HG21 THR A 36 5.178 3.779 6.055 1.00 52.44 H new ATOM 0 HG22 THR A 36 6.579 4.814 5.687 1.00 52.44 H new ATOM 0 HG23 THR A 36 6.331 4.207 7.342 1.00 52.44 H new ATOM 565 N PHE A 37 8.258 6.753 7.692 1.00 32.41 N ATOM 566 CA PHE A 37 9.675 6.664 7.358 1.00 13.40 C ATOM 567 C PHE A 37 10.234 5.367 7.886 1.00 41.24 C ATOM 568 O PHE A 37 9.647 4.751 8.780 1.00 34.53 O ATOM 569 CB PHE A 37 10.505 7.837 7.928 1.00 71.15 C ATOM 570 CG PHE A 37 10.110 9.197 7.428 1.00 13.32 C ATOM 571 CD1 PHE A 37 10.473 9.615 6.158 1.00 2.02 C ATOM 572 CD2 PHE A 37 9.384 10.061 8.230 1.00 75.01 C ATOM 573 CE1 PHE A 37 10.119 10.867 5.697 1.00 21.53 C ATOM 574 CE2 PHE A 37 9.029 11.315 7.777 1.00 62.30 C ATOM 575 CZ PHE A 37 9.397 11.718 6.509 1.00 54.44 C ATOM 0 H PHE A 37 8.064 6.618 8.684 1.00 32.41 H new ATOM 0 HA PHE A 37 9.748 6.710 6.271 1.00 13.40 H new ATOM 0 HB2 PHE A 37 10.421 7.828 9.015 1.00 71.15 H new ATOM 0 HB3 PHE A 37 11.555 7.669 7.688 1.00 71.15 H new ATOM 0 HD1 PHE A 37 11.040 8.953 5.521 1.00 2.02 H new ATOM 0 HD2 PHE A 37 9.092 9.750 9.222 1.00 75.01 H new ATOM 0 HE1 PHE A 37 10.406 11.180 4.704 1.00 21.53 H new ATOM 0 HE2 PHE A 37 8.464 11.980 8.413 1.00 62.30 H new ATOM 0 HZ PHE A 37 9.120 12.699 6.152 1.00 54.44 H new ATOM 585 N ASP A 38 11.341 4.957 7.344 1.00 11.14 N ATOM 586 CA ASP A 38 12.037 3.778 7.817 1.00 10.51 C ATOM 587 C ASP A 38 13.148 4.236 8.752 1.00 73.11 C ATOM 588 O ASP A 38 13.630 5.358 8.627 1.00 73.03 O ATOM 589 CB ASP A 38 12.620 3.013 6.631 1.00 44.31 C ATOM 590 CG ASP A 38 13.309 1.716 6.990 1.00 35.33 C ATOM 591 OD1 ASP A 38 13.179 1.234 8.151 1.00 43.15 O ATOM 592 OD2 ASP A 38 13.964 1.147 6.128 1.00 31.55 O ATOM 0 H ASP A 38 11.795 5.425 6.560 1.00 11.14 H new ATOM 0 HA ASP A 38 11.354 3.114 8.346 1.00 10.51 H new ATOM 0 HB2 ASP A 38 11.818 2.799 5.925 1.00 44.31 H new ATOM 0 HB3 ASP A 38 13.333 3.657 6.117 1.00 44.31 H new ATOM 597 N TYR A 39 13.569 3.372 9.650 1.00 51.44 N ATOM 598 CA TYR A 39 14.592 3.698 10.633 1.00 63.24 C ATOM 599 C TYR A 39 15.958 3.878 9.976 1.00 73.22 C ATOM 600 O TYR A 39 16.819 4.561 10.498 1.00 1.35 O ATOM 601 CB TYR A 39 14.632 2.666 11.783 1.00 72.34 C ATOM 602 CG TYR A 39 14.827 1.217 11.359 1.00 53.31 C ATOM 603 CD1 TYR A 39 16.097 0.689 11.168 1.00 45.44 C ATOM 604 CD2 TYR A 39 13.735 0.377 11.170 1.00 15.31 C ATOM 605 CE1 TYR A 39 16.274 -0.626 10.799 1.00 53.04 C ATOM 606 CE2 TYR A 39 13.904 -0.941 10.798 1.00 71.10 C ATOM 607 CZ TYR A 39 15.175 -1.437 10.616 1.00 43.34 C ATOM 608 OH TYR A 39 15.354 -2.750 10.257 1.00 42.33 O ATOM 0 H TYR A 39 13.213 2.419 9.723 1.00 51.44 H new ATOM 0 HA TYR A 39 14.322 4.655 11.080 1.00 63.24 H new ATOM 0 HB2 TYR A 39 15.438 2.938 12.464 1.00 72.34 H new ATOM 0 HB3 TYR A 39 13.701 2.739 12.346 1.00 72.34 H new ATOM 0 HD1 TYR A 39 16.961 1.321 11.311 1.00 45.44 H new ATOM 0 HD2 TYR A 39 12.737 0.763 11.317 1.00 15.31 H new ATOM 0 HE1 TYR A 39 17.269 -1.020 10.654 1.00 53.04 H new ATOM 0 HE2 TYR A 39 13.045 -1.579 10.651 1.00 71.10 H new ATOM 0 HH TYR A 39 14.831 -3.326 10.852 1.00 42.33 H new ATOM 618 N LYS A 40 16.139 3.260 8.815 1.00 43.52 N ATOM 619 CA LYS A 40 17.368 3.438 8.053 1.00 53.54 C ATOM 620 C LYS A 40 17.188 4.536 6.999 1.00 75.40 C ATOM 621 O LYS A 40 18.028 4.712 6.132 1.00 72.25 O ATOM 622 CB LYS A 40 17.880 2.107 7.434 1.00 70.11 C ATOM 623 CG LYS A 40 16.853 1.317 6.638 1.00 33.32 C ATOM 624 CD LYS A 40 17.463 0.073 5.988 1.00 34.33 C ATOM 625 CE LYS A 40 16.400 -0.859 5.361 1.00 3.42 C ATOM 626 NZ LYS A 40 15.528 -0.179 4.372 1.00 34.32 N ATOM 0 H LYS A 40 15.457 2.636 8.384 1.00 43.52 H new ATOM 0 HA LYS A 40 18.145 3.760 8.746 1.00 53.54 H new ATOM 0 HB2 LYS A 40 18.725 2.331 6.783 1.00 70.11 H new ATOM 0 HB3 LYS A 40 18.256 1.474 8.238 1.00 70.11 H new ATOM 0 HG2 LYS A 40 16.036 1.019 7.295 1.00 33.32 H new ATOM 0 HG3 LYS A 40 16.424 1.956 5.866 1.00 33.32 H new ATOM 0 HD2 LYS A 40 18.169 0.381 5.217 1.00 34.33 H new ATOM 0 HD3 LYS A 40 18.029 -0.481 6.736 1.00 34.33 H new ATOM 0 HE2 LYS A 40 16.902 -1.696 4.876 1.00 3.42 H new ATOM 0 HE3 LYS A 40 15.780 -1.276 6.155 1.00 3.42 H new ATOM 0 HZ1 LYS A 40 15.150 -0.880 3.703 1.00 34.32 H new ATOM 0 HZ2 LYS A 40 14.741 0.287 4.866 1.00 34.32 H new ATOM 0 HZ3 LYS A 40 16.081 0.533 3.853 1.00 34.32 H new ATOM 640 N SER A 41 16.074 5.284 7.130 1.00 60.23 N ATOM 641 CA SER A 41 15.738 6.411 6.263 1.00 5.13 C ATOM 642 C SER A 41 15.666 5.987 4.788 1.00 11.21 C ATOM 643 O SER A 41 16.131 6.692 3.888 1.00 51.34 O ATOM 644 CB SER A 41 16.716 7.580 6.496 1.00 10.32 C ATOM 645 OG SER A 41 16.358 8.721 5.738 1.00 42.44 O ATOM 0 H SER A 41 15.377 5.112 7.855 1.00 60.23 H new ATOM 0 HA SER A 41 14.741 6.764 6.526 1.00 5.13 H new ATOM 0 HB2 SER A 41 16.731 7.837 7.555 1.00 10.32 H new ATOM 0 HB3 SER A 41 17.726 7.268 6.230 1.00 10.32 H new ATOM 0 HG SER A 41 16.225 8.463 4.802 1.00 42.44 H new ATOM 651 N ASN A 42 15.016 4.867 4.565 1.00 24.13 N ATOM 652 CA ASN A 42 14.836 4.301 3.238 1.00 4.51 C ATOM 653 C ASN A 42 13.969 5.222 2.382 1.00 24.51 C ATOM 654 O ASN A 42 12.915 5.688 2.833 1.00 4.34 O ATOM 655 CB ASN A 42 14.164 2.924 3.367 1.00 43.22 C ATOM 656 CG ASN A 42 13.692 2.332 2.049 1.00 34.41 C ATOM 657 OD1 ASN A 42 12.565 2.551 1.635 1.00 73.41 O ATOM 658 ND2 ASN A 42 14.529 1.582 1.404 1.00 61.10 N ATOM 0 H ASN A 42 14.590 4.313 5.308 1.00 24.13 H new ATOM 0 HA ASN A 42 15.808 4.194 2.757 1.00 4.51 H new ATOM 0 HB2 ASN A 42 14.866 2.232 3.832 1.00 43.22 H new ATOM 0 HB3 ASN A 42 13.310 3.011 4.039 1.00 43.22 H new ATOM 0 HD21 ASN A 42 14.253 1.153 0.520 1.00 61.10 H new ATOM 0 HD22 ASN A 42 15.463 1.421 1.780 1.00 61.10 H new ATOM 665 N PRO A 43 14.454 5.572 1.173 1.00 23.33 N ATOM 666 CA PRO A 43 13.702 6.384 0.238 1.00 1.44 C ATOM 667 C PRO A 43 12.419 5.686 -0.216 1.00 54.32 C ATOM 668 O PRO A 43 12.447 4.706 -0.963 1.00 74.30 O ATOM 669 CB PRO A 43 14.653 6.629 -0.939 1.00 12.44 C ATOM 670 CG PRO A 43 15.782 5.673 -0.768 1.00 52.50 C ATOM 671 CD PRO A 43 15.798 5.234 0.666 1.00 61.32 C ATOM 0 HA PRO A 43 13.374 7.318 0.695 1.00 1.44 H new ATOM 0 HB2 PRO A 43 14.146 6.466 -1.890 1.00 12.44 H new ATOM 0 HB3 PRO A 43 15.012 7.658 -0.942 1.00 12.44 H new ATOM 0 HG2 PRO A 43 15.659 4.815 -1.429 1.00 52.50 H new ATOM 0 HG3 PRO A 43 16.727 6.147 -1.033 1.00 52.50 H new ATOM 0 HD2 PRO A 43 15.997 4.166 0.751 1.00 61.32 H new ATOM 0 HD3 PRO A 43 16.576 5.749 1.230 1.00 61.32 H new ATOM 679 N TYR A 44 11.323 6.200 0.286 1.00 52.01 N ATOM 680 CA TYR A 44 9.981 5.695 0.050 1.00 63.23 C ATOM 681 C TYR A 44 9.257 6.333 -1.111 1.00 44.54 C ATOM 682 O TYR A 44 8.133 5.954 -1.407 1.00 12.35 O ATOM 683 CB TYR A 44 9.110 5.724 1.301 1.00 14.23 C ATOM 684 CG TYR A 44 9.394 4.608 2.269 1.00 62.45 C ATOM 685 CD1 TYR A 44 9.243 3.280 1.876 1.00 21.12 C ATOM 686 CD2 TYR A 44 9.784 4.865 3.568 1.00 64.24 C ATOM 687 CE1 TYR A 44 9.483 2.246 2.751 1.00 54.44 C ATOM 688 CE2 TYR A 44 10.027 3.835 4.448 1.00 13.50 C ATOM 689 CZ TYR A 44 9.874 2.527 4.035 1.00 44.11 C ATOM 690 OH TYR A 44 10.115 1.496 4.915 1.00 33.23 O ATOM 0 H TYR A 44 11.336 7.017 0.897 1.00 52.01 H new ATOM 0 HA TYR A 44 10.149 4.655 -0.232 1.00 63.23 H new ATOM 0 HB2 TYR A 44 9.253 6.678 1.809 1.00 14.23 H new ATOM 0 HB3 TYR A 44 8.063 5.676 1.003 1.00 14.23 H new ATOM 0 HD1 TYR A 44 8.932 3.058 0.866 1.00 21.12 H new ATOM 0 HD2 TYR A 44 9.900 5.887 3.898 1.00 64.24 H new ATOM 0 HE1 TYR A 44 9.365 1.222 2.430 1.00 54.44 H new ATOM 0 HE2 TYR A 44 10.337 4.050 5.460 1.00 13.50 H new ATOM 0 HH TYR A 44 10.431 0.711 4.421 1.00 33.23 H new ATOM 700 N ASP A 45 9.854 7.293 -1.778 1.00 42.23 N ATOM 701 CA ASP A 45 9.076 8.016 -2.768 1.00 52.11 C ATOM 702 C ASP A 45 8.927 7.206 -4.048 1.00 2.14 C ATOM 703 O ASP A 45 9.798 6.410 -4.439 1.00 54.05 O ATOM 704 CB ASP A 45 9.605 9.429 -3.041 1.00 14.11 C ATOM 705 CG ASP A 45 8.702 10.186 -4.013 1.00 15.22 C ATOM 706 OD1 ASP A 45 7.439 10.070 -3.878 1.00 31.31 O ATOM 707 OD2 ASP A 45 9.223 10.873 -4.890 1.00 74.25 O ATOM 0 H ASP A 45 10.825 7.585 -1.667 1.00 42.23 H new ATOM 0 HA ASP A 45 8.083 8.154 -2.340 1.00 52.11 H new ATOM 0 HB2 ASP A 45 9.675 9.980 -2.103 1.00 14.11 H new ATOM 0 HB3 ASP A 45 10.613 9.368 -3.451 1.00 14.11 H new ATOM 712 N ILE A 46 7.800 7.393 -4.633 1.00 11.31 N ATOM 713 CA ILE A 46 7.249 6.583 -5.673 1.00 15.42 C ATOM 714 C ILE A 46 7.914 6.803 -7.025 1.00 72.32 C ATOM 715 O ILE A 46 8.029 7.911 -7.504 1.00 3.31 O ATOM 716 CB ILE A 46 5.737 6.870 -5.723 1.00 23.12 C ATOM 717 CG1 ILE A 46 5.146 6.547 -4.341 1.00 15.31 C ATOM 718 CG2 ILE A 46 5.053 6.063 -6.811 1.00 53.01 C ATOM 719 CD1 ILE A 46 3.728 6.986 -4.151 1.00 65.32 C ATOM 0 H ILE A 46 7.190 8.171 -4.384 1.00 11.31 H new ATOM 0 HA ILE A 46 7.436 5.533 -5.448 1.00 15.42 H new ATOM 0 HB ILE A 46 5.571 7.920 -5.965 1.00 23.12 H new ATOM 0 HG12 ILE A 46 5.204 5.471 -4.178 1.00 15.31 H new ATOM 0 HG13 ILE A 46 5.764 7.019 -3.577 1.00 15.31 H new ATOM 0 HG21 ILE A 46 3.987 6.291 -6.817 1.00 53.01 H new ATOM 0 HG22 ILE A 46 5.484 6.318 -7.779 1.00 53.01 H new ATOM 0 HG23 ILE A 46 5.196 5.000 -6.619 1.00 53.01 H new ATOM 0 HD11 ILE A 46 3.395 6.717 -3.149 1.00 65.32 H new ATOM 0 HD12 ILE A 46 3.662 8.067 -4.278 1.00 65.32 H new ATOM 0 HD13 ILE A 46 3.093 6.495 -4.888 1.00 65.32 H new ATOM 731 N SER A 47 8.326 5.713 -7.632 1.00 43.11 N ATOM 732 CA SER A 47 8.988 5.751 -8.899 1.00 54.33 C ATOM 733 C SER A 47 7.970 5.544 -10.044 1.00 41.35 C ATOM 734 O SER A 47 8.163 6.050 -11.140 1.00 32.10 O ATOM 735 CB SER A 47 10.043 4.658 -8.906 1.00 41.52 C ATOM 736 OG SER A 47 10.816 4.727 -7.710 1.00 0.23 O ATOM 0 H SER A 47 8.207 4.774 -7.251 1.00 43.11 H new ATOM 0 HA SER A 47 9.459 6.722 -9.054 1.00 54.33 H new ATOM 0 HB2 SER A 47 9.567 3.681 -8.987 1.00 41.52 H new ATOM 0 HB3 SER A 47 10.690 4.770 -9.776 1.00 41.52 H new ATOM 0 HG SER A 47 11.758 4.557 -7.919 1.00 0.23 H new ATOM 742 N VAL A 48 6.880 4.801 -9.779 1.00 3.21 N ATOM 743 CA VAL A 48 5.792 4.675 -10.760 1.00 54.34 C ATOM 744 C VAL A 48 4.471 4.710 -10.035 1.00 62.52 C ATOM 745 O VAL A 48 4.260 3.957 -9.080 1.00 41.00 O ATOM 746 CB VAL A 48 5.849 3.299 -11.544 1.00 52.15 C ATOM 747 CG1 VAL A 48 4.603 3.086 -12.437 1.00 21.10 C ATOM 748 CG2 VAL A 48 7.116 3.183 -12.384 1.00 43.11 C ATOM 0 H VAL A 48 6.732 4.288 -8.910 1.00 3.21 H new ATOM 0 HA VAL A 48 5.901 5.497 -11.467 1.00 54.34 H new ATOM 0 HB VAL A 48 5.861 2.516 -10.786 1.00 52.15 H new ATOM 0 HG11 VAL A 48 4.686 2.131 -12.955 1.00 21.10 H new ATOM 0 HG12 VAL A 48 3.707 3.086 -11.817 1.00 21.10 H new ATOM 0 HG13 VAL A 48 4.538 3.891 -13.169 1.00 21.10 H new ATOM 0 HG21 VAL A 48 7.120 2.227 -12.907 1.00 43.11 H new ATOM 0 HG22 VAL A 48 7.146 3.994 -13.111 1.00 43.11 H new ATOM 0 HG23 VAL A 48 7.990 3.245 -11.735 1.00 43.11 H new ATOM 758 N ASN A 49 3.612 5.567 -10.478 1.00 72.32 N ATOM 759 CA ASN A 49 2.250 5.625 -10.051 1.00 21.12 C ATOM 760 C ASN A 49 1.403 5.418 -11.279 1.00 50.34 C ATOM 761 O ASN A 49 1.601 6.122 -12.267 1.00 62.34 O ATOM 762 CB ASN A 49 1.924 6.964 -9.316 1.00 75.40 C ATOM 763 CG ASN A 49 1.963 8.215 -10.191 1.00 60.01 C ATOM 764 OD1 ASN A 49 3.010 8.815 -10.383 1.00 64.23 O ATOM 765 ND2 ASN A 49 0.819 8.647 -10.674 1.00 75.15 N ATOM 0 H ASN A 49 3.847 6.274 -11.174 1.00 72.32 H new ATOM 0 HA ASN A 49 2.042 4.848 -9.315 1.00 21.12 H new ATOM 0 HB2 ASN A 49 0.932 6.883 -8.871 1.00 75.40 H new ATOM 0 HB3 ASN A 49 2.632 7.091 -8.497 1.00 75.40 H new ATOM 0 HD21 ASN A 49 0.790 9.504 -11.226 1.00 75.15 H new ATOM 0 HD22 ASN A 49 -0.039 8.125 -10.497 1.00 75.15 H new ATOM 772 N LYS A 50 0.540 4.453 -11.309 1.00 23.34 N ATOM 773 CA LYS A 50 -0.308 4.353 -12.443 1.00 13.41 C ATOM 774 C LYS A 50 -1.718 3.960 -12.104 1.00 21.52 C ATOM 775 O LYS A 50 -1.959 3.195 -11.162 1.00 64.34 O ATOM 776 CB LYS A 50 0.309 3.487 -13.552 1.00 71.32 C ATOM 777 CG LYS A 50 1.046 2.226 -13.121 1.00 43.41 C ATOM 778 CD LYS A 50 0.106 1.173 -12.610 1.00 21.25 C ATOM 779 CE LYS A 50 0.822 -0.108 -12.263 1.00 32.34 C ATOM 780 NZ LYS A 50 -0.136 -1.210 -11.942 1.00 72.54 N ATOM 0 H LYS A 50 0.408 3.746 -10.585 1.00 23.34 H new ATOM 0 HA LYS A 50 -0.389 5.362 -12.848 1.00 13.41 H new ATOM 0 HB2 LYS A 50 -0.488 3.195 -14.236 1.00 71.32 H new ATOM 0 HB3 LYS A 50 1.004 4.108 -14.118 1.00 71.32 H new ATOM 0 HG2 LYS A 50 1.611 1.830 -13.965 1.00 43.41 H new ATOM 0 HG3 LYS A 50 1.768 2.476 -12.344 1.00 43.41 H new ATOM 0 HD2 LYS A 50 -0.413 1.548 -11.728 1.00 21.25 H new ATOM 0 HD3 LYS A 50 -0.654 0.970 -13.364 1.00 21.25 H new ATOM 0 HE2 LYS A 50 1.455 -0.408 -13.098 1.00 32.34 H new ATOM 0 HE3 LYS A 50 1.479 0.062 -11.410 1.00 32.34 H new ATOM 0 HZ1 LYS A 50 0.361 -1.963 -11.425 1.00 72.54 H new ATOM 0 HZ2 LYS A 50 -0.909 -0.838 -11.354 1.00 72.54 H new ATOM 0 HZ3 LYS A 50 -0.528 -1.597 -12.824 1.00 72.54 H new ATOM 794 N ASN A 51 -2.634 4.539 -12.839 1.00 21.33 N ATOM 795 CA ASN A 51 -4.046 4.268 -12.722 1.00 55.24 C ATOM 796 C ASN A 51 -4.567 3.517 -13.938 1.00 43.23 C ATOM 797 O ASN A 51 -4.256 3.862 -15.071 1.00 21.23 O ATOM 798 CB ASN A 51 -4.859 5.565 -12.484 1.00 12.02 C ATOM 799 CG ASN A 51 -4.686 6.621 -13.578 1.00 44.02 C ATOM 800 OD1 ASN A 51 -3.787 7.445 -13.514 1.00 23.44 O ATOM 801 ND2 ASN A 51 -5.547 6.614 -14.572 1.00 33.30 N ATOM 0 H ASN A 51 -2.413 5.231 -13.555 1.00 21.33 H new ATOM 0 HA ASN A 51 -4.180 3.630 -11.849 1.00 55.24 H new ATOM 0 HB2 ASN A 51 -5.916 5.309 -12.405 1.00 12.02 H new ATOM 0 HB3 ASN A 51 -4.563 5.996 -11.528 1.00 12.02 H new ATOM 0 HD21 ASN A 51 -5.474 7.309 -15.315 1.00 33.30 H new ATOM 0 HD22 ASN A 51 -6.288 5.914 -14.600 1.00 33.30 H new ATOM 808 N ASN A 52 -5.319 2.492 -13.696 1.00 12.42 N ATOM 809 CA ASN A 52 -5.993 1.738 -14.733 1.00 45.34 C ATOM 810 C ASN A 52 -7.494 1.998 -14.672 1.00 32.40 C ATOM 811 O ASN A 52 -8.186 1.967 -15.674 1.00 44.13 O ATOM 812 CB ASN A 52 -5.702 0.235 -14.543 1.00 22.45 C ATOM 813 CG ASN A 52 -6.682 -0.687 -15.262 1.00 34.22 C ATOM 814 OD1 ASN A 52 -7.714 -1.073 -14.687 1.00 0.20 O ATOM 815 ND2 ASN A 52 -6.381 -1.056 -16.483 1.00 35.11 N ATOM 0 H ASN A 52 -5.493 2.139 -12.755 1.00 12.42 H new ATOM 0 HA ASN A 52 -5.626 2.053 -15.710 1.00 45.34 H new ATOM 0 HB2 ASN A 52 -4.694 0.024 -14.899 1.00 22.45 H new ATOM 0 HB3 ASN A 52 -5.719 0.005 -13.478 1.00 22.45 H new ATOM 0 HD21 ASN A 52 -7.003 -1.681 -16.995 1.00 35.11 H new ATOM 0 HD22 ASN A 52 -5.524 -0.718 -16.921 1.00 35.11 H new ATOM 822 N GLY A 53 -7.985 2.277 -13.478 1.00 55.32 N ATOM 823 CA GLY A 53 -9.413 2.441 -13.288 1.00 75.44 C ATOM 824 C GLY A 53 -9.895 1.418 -12.341 1.00 74.05 C ATOM 825 O GLY A 53 -10.845 1.607 -11.572 1.00 43.11 O ATOM 0 H GLY A 53 -7.423 2.393 -12.635 1.00 55.32 H new ATOM 0 HA2 GLY A 53 -9.629 3.439 -12.906 1.00 75.44 H new ATOM 0 HA3 GLY A 53 -9.933 2.345 -14.241 1.00 75.44 H new ATOM 829 N THR A 54 -9.284 0.317 -12.454 1.00 32.45 N ATOM 830 CA THR A 54 -9.524 -0.785 -11.644 1.00 2.05 C ATOM 831 C THR A 54 -8.221 -1.151 -10.894 1.00 34.41 C ATOM 832 O THR A 54 -8.235 -1.789 -9.866 1.00 22.21 O ATOM 833 CB THR A 54 -10.020 -1.892 -12.551 1.00 13.32 C ATOM 834 OG1 THR A 54 -11.310 -1.534 -13.118 1.00 62.13 O ATOM 835 CG2 THR A 54 -10.085 -3.190 -11.866 1.00 55.53 C ATOM 0 H THR A 54 -8.562 0.154 -13.156 1.00 32.45 H new ATOM 0 HA THR A 54 -10.277 -0.595 -10.880 1.00 2.05 H new ATOM 0 HB THR A 54 -9.297 -2.004 -13.359 1.00 13.32 H new ATOM 0 HG1 THR A 54 -11.621 -2.255 -13.704 1.00 62.13 H new ATOM 0 HG21 THR A 54 -10.446 -3.950 -12.559 1.00 55.53 H new ATOM 0 HG22 THR A 54 -9.091 -3.465 -11.512 1.00 55.53 H new ATOM 0 HG23 THR A 54 -10.766 -3.120 -11.018 1.00 55.53 H new ATOM 843 N ASP A 55 -7.128 -0.693 -11.407 1.00 1.02 N ATOM 844 CA ASP A 55 -5.838 -0.855 -10.767 1.00 5.01 C ATOM 845 C ASP A 55 -5.215 0.497 -10.535 1.00 63.11 C ATOM 846 O ASP A 55 -5.438 1.421 -11.311 1.00 73.30 O ATOM 847 CB ASP A 55 -4.923 -1.810 -11.578 1.00 52.11 C ATOM 848 CG ASP A 55 -3.424 -1.515 -11.495 1.00 13.23 C ATOM 849 OD1 ASP A 55 -2.900 -0.741 -12.308 1.00 54.12 O ATOM 850 OD2 ASP A 55 -2.759 -2.091 -10.639 1.00 13.35 O ATOM 0 H ASP A 55 -7.091 -0.188 -12.292 1.00 1.02 H new ATOM 0 HA ASP A 55 -5.974 -1.328 -9.794 1.00 5.01 H new ATOM 0 HB2 ASP A 55 -5.095 -2.830 -11.233 1.00 52.11 H new ATOM 0 HB3 ASP A 55 -5.225 -1.773 -12.625 1.00 52.11 H new ATOM 855 N ALA A 56 -4.576 0.637 -9.420 1.00 34.45 N ATOM 856 CA ALA A 56 -3.862 1.835 -9.042 1.00 3.03 C ATOM 857 C ALA A 56 -2.720 1.367 -8.239 1.00 1.23 C ATOM 858 O ALA A 56 -2.904 0.803 -7.181 1.00 14.21 O ATOM 859 CB ALA A 56 -4.720 2.776 -8.224 1.00 33.12 C ATOM 0 H ALA A 56 -4.529 -0.099 -8.716 1.00 34.45 H new ATOM 0 HA ALA A 56 -3.556 2.397 -9.924 1.00 3.03 H new ATOM 0 HB1 ALA A 56 -4.141 3.662 -7.963 1.00 33.12 H new ATOM 0 HB2 ALA A 56 -5.593 3.071 -8.806 1.00 33.12 H new ATOM 0 HB3 ALA A 56 -5.045 2.273 -7.313 1.00 33.12 H new ATOM 865 N GLU A 57 -1.568 1.558 -8.715 1.00 3.40 N ATOM 866 CA GLU A 57 -0.464 0.925 -8.105 1.00 62.00 C ATOM 867 C GLU A 57 0.725 1.836 -8.084 1.00 63.32 C ATOM 868 O GLU A 57 1.065 2.469 -9.104 1.00 54.23 O ATOM 869 CB GLU A 57 -0.238 -0.334 -8.899 1.00 23.34 C ATOM 870 CG GLU A 57 0.797 -1.301 -8.423 1.00 22.31 C ATOM 871 CD GLU A 57 0.603 -2.604 -9.146 1.00 61.13 C ATOM 872 OE1 GLU A 57 1.179 -2.768 -10.242 1.00 10.24 O ATOM 873 OE2 GLU A 57 -0.217 -3.434 -8.681 1.00 5.31 O ATOM 0 H GLU A 57 -1.352 2.143 -9.522 1.00 3.40 H new ATOM 0 HA GLU A 57 -0.643 0.681 -7.058 1.00 62.00 H new ATOM 0 HB2 GLU A 57 -1.188 -0.866 -8.955 1.00 23.34 H new ATOM 0 HB3 GLU A 57 0.024 -0.042 -9.916 1.00 23.34 H new ATOM 0 HG2 GLU A 57 1.796 -0.909 -8.611 1.00 22.31 H new ATOM 0 HG3 GLU A 57 0.710 -1.449 -7.347 1.00 22.31 H new ATOM 880 N ILE A 58 1.316 1.941 -6.919 1.00 44.31 N ATOM 881 CA ILE A 58 2.445 2.745 -6.703 1.00 25.14 C ATOM 882 C ILE A 58 3.641 1.899 -6.337 1.00 42.50 C ATOM 883 O ILE A 58 3.609 1.092 -5.396 1.00 34.30 O ATOM 884 CB ILE A 58 2.217 3.884 -5.663 1.00 23.44 C ATOM 885 CG1 ILE A 58 1.506 3.424 -4.350 1.00 13.13 C ATOM 886 CG2 ILE A 58 1.480 5.051 -6.302 1.00 34.32 C ATOM 887 CD1 ILE A 58 -0.014 3.302 -4.445 1.00 31.20 C ATOM 0 H ILE A 58 0.999 1.447 -6.085 1.00 44.31 H new ATOM 0 HA ILE A 58 2.644 3.249 -7.649 1.00 25.14 H new ATOM 0 HB ILE A 58 3.211 4.207 -5.354 1.00 23.44 H new ATOM 0 HG12 ILE A 58 1.915 2.458 -4.053 1.00 13.13 H new ATOM 0 HG13 ILE A 58 1.749 4.131 -3.557 1.00 13.13 H new ATOM 0 HG21 ILE A 58 1.330 5.836 -5.561 1.00 34.32 H new ATOM 0 HG22 ILE A 58 2.069 5.443 -7.132 1.00 34.32 H new ATOM 0 HG23 ILE A 58 0.513 4.712 -6.672 1.00 34.32 H new ATOM 0 HD11 ILE A 58 -0.414 2.977 -3.484 1.00 31.20 H new ATOM 0 HD12 ILE A 58 -0.441 4.270 -4.707 1.00 31.20 H new ATOM 0 HD13 ILE A 58 -0.273 2.572 -5.211 1.00 31.20 H new ATOM 899 N VAL A 59 4.682 2.070 -7.099 1.00 55.44 N ATOM 900 CA VAL A 59 5.898 1.328 -6.931 1.00 4.12 C ATOM 901 C VAL A 59 7.004 2.291 -6.581 1.00 33.44 C ATOM 902 O VAL A 59 7.178 3.304 -7.256 1.00 13.11 O ATOM 903 CB VAL A 59 6.296 0.585 -8.237 1.00 64.42 C ATOM 904 CG1 VAL A 59 7.492 -0.341 -8.010 1.00 44.31 C ATOM 905 CG2 VAL A 59 5.111 -0.166 -8.841 1.00 73.23 C ATOM 0 H VAL A 59 4.710 2.740 -7.867 1.00 55.44 H new ATOM 0 HA VAL A 59 5.744 0.591 -6.143 1.00 4.12 H new ATOM 0 HB VAL A 59 6.601 1.341 -8.961 1.00 64.42 H new ATOM 0 HG11 VAL A 59 7.744 -0.845 -8.943 1.00 44.31 H new ATOM 0 HG12 VAL A 59 8.347 0.245 -7.672 1.00 44.31 H new ATOM 0 HG13 VAL A 59 7.239 -1.084 -7.253 1.00 44.31 H new ATOM 0 HG21 VAL A 59 5.428 -0.673 -9.752 1.00 73.23 H new ATOM 0 HG22 VAL A 59 4.744 -0.902 -8.126 1.00 73.23 H new ATOM 0 HG23 VAL A 59 4.315 0.540 -9.077 1.00 73.23 H new ATOM 915 N SER A 60 7.713 2.003 -5.544 1.00 73.15 N ATOM 916 CA SER A 60 8.818 2.789 -5.121 1.00 35.20 C ATOM 917 C SER A 60 10.082 1.945 -5.204 1.00 70.54 C ATOM 918 O SER A 60 10.040 0.709 -5.047 1.00 13.40 O ATOM 919 CB SER A 60 8.583 3.291 -3.685 1.00 33.14 C ATOM 920 OG SER A 60 9.698 4.003 -3.195 1.00 53.01 O ATOM 0 H SER A 60 7.534 1.192 -4.952 1.00 73.15 H new ATOM 0 HA SER A 60 8.930 3.659 -5.768 1.00 35.20 H new ATOM 0 HB2 SER A 60 7.702 3.933 -3.663 1.00 33.14 H new ATOM 0 HB3 SER A 60 8.376 2.443 -3.032 1.00 33.14 H new ATOM 0 HG SER A 60 9.749 4.876 -3.637 1.00 53.01 H new ATOM 926 N ALA A 61 11.170 2.581 -5.485 1.00 51.14 N ATOM 927 CA ALA A 61 12.437 1.934 -5.541 1.00 70.15 C ATOM 928 C ALA A 61 13.412 2.775 -4.781 1.00 13.15 C ATOM 929 O ALA A 61 13.416 3.999 -4.915 1.00 40.20 O ATOM 930 CB ALA A 61 12.890 1.730 -6.980 1.00 20.14 C ATOM 0 H ALA A 61 11.204 3.581 -5.685 1.00 51.14 H new ATOM 0 HA ALA A 61 12.370 0.942 -5.094 1.00 70.15 H new ATOM 0 HB1 ALA A 61 13.860 1.234 -6.989 1.00 20.14 H new ATOM 0 HB2 ALA A 61 12.162 1.113 -7.507 1.00 20.14 H new ATOM 0 HB3 ALA A 61 12.972 2.697 -7.476 1.00 20.14 H new ATOM 936 N SER A 62 14.205 2.147 -3.987 1.00 1.53 N ATOM 937 CA SER A 62 15.122 2.838 -3.165 1.00 12.03 C ATOM 938 C SER A 62 16.530 2.721 -3.733 1.00 71.34 C ATOM 939 O SER A 62 16.959 1.633 -4.132 1.00 42.34 O ATOM 940 CB SER A 62 15.041 2.229 -1.785 1.00 33.32 C ATOM 941 OG SER A 62 13.684 2.144 -1.368 1.00 50.43 O ATOM 0 H SER A 62 14.233 1.132 -3.892 1.00 1.53 H new ATOM 0 HA SER A 62 14.879 3.900 -3.119 1.00 12.03 H new ATOM 0 HB2 SER A 62 15.491 1.236 -1.790 1.00 33.32 H new ATOM 0 HB3 SER A 62 15.610 2.833 -1.078 1.00 33.32 H new ATOM 0 HG SER A 62 13.322 3.047 -1.247 1.00 50.43 H new ATOM 947 N ASP A 63 17.225 3.831 -3.794 1.00 4.02 N ATOM 948 CA ASP A 63 18.601 3.866 -4.285 1.00 31.31 C ATOM 949 C ASP A 63 19.553 3.398 -3.199 1.00 45.50 C ATOM 950 O ASP A 63 20.560 2.754 -3.479 1.00 21.33 O ATOM 951 CB ASP A 63 18.964 5.310 -4.660 1.00 73.14 C ATOM 952 CG ASP A 63 18.773 6.241 -3.476 1.00 2.34 C ATOM 953 OD1 ASP A 63 17.614 6.613 -3.215 1.00 63.14 O ATOM 954 OD2 ASP A 63 19.748 6.509 -2.747 1.00 2.12 O ATOM 0 H ASP A 63 16.862 4.740 -3.507 1.00 4.02 H new ATOM 0 HA ASP A 63 18.685 3.212 -5.153 1.00 31.31 H new ATOM 0 HB2 ASP A 63 19.999 5.353 -4.998 1.00 73.14 H new ATOM 0 HB3 ASP A 63 18.343 5.641 -5.492 1.00 73.14 H new ATOM 959 N SER A 64 19.185 3.668 -1.962 1.00 54.11 N ATOM 960 CA SER A 64 20.001 3.330 -0.834 1.00 11.01 C ATOM 961 C SER A 64 19.880 1.838 -0.538 1.00 62.15 C ATOM 962 O SER A 64 20.871 1.150 -0.304 1.00 35.04 O ATOM 963 CB SER A 64 19.554 4.170 0.349 1.00 31.51 C ATOM 964 OG SER A 64 19.425 5.545 -0.031 1.00 63.22 O ATOM 0 H SER A 64 18.308 4.129 -1.720 1.00 54.11 H new ATOM 0 HA SER A 64 21.050 3.540 -1.041 1.00 11.01 H new ATOM 0 HB2 SER A 64 18.600 3.800 0.725 1.00 31.51 H new ATOM 0 HB3 SER A 64 20.275 4.077 1.161 1.00 31.51 H new ATOM 0 HG SER A 64 19.716 5.656 -0.960 1.00 63.22 H new ATOM 970 N ASP A 65 18.667 1.334 -0.606 1.00 63.14 N ATOM 971 CA ASP A 65 18.443 -0.063 -0.412 1.00 71.25 C ATOM 972 C ASP A 65 18.011 -0.621 -1.720 1.00 10.32 C ATOM 973 O ASP A 65 16.839 -0.577 -2.068 1.00 32.25 O ATOM 974 CB ASP A 65 17.350 -0.366 0.613 1.00 52.23 C ATOM 975 CG ASP A 65 17.608 0.122 2.011 1.00 72.42 C ATOM 976 OD1 ASP A 65 18.368 -0.517 2.729 1.00 41.43 O ATOM 977 OD2 ASP A 65 16.953 1.109 2.441 1.00 53.15 O ATOM 0 H ASP A 65 17.826 1.880 -0.795 1.00 63.14 H new ATOM 0 HA ASP A 65 19.367 -0.503 -0.036 1.00 71.25 H new ATOM 0 HB2 ASP A 65 16.417 0.074 0.261 1.00 52.23 H new ATOM 0 HB3 ASP A 65 17.200 -1.445 0.647 1.00 52.23 H new ATOM 982 N SER A 66 18.942 -1.122 -2.452 1.00 53.40 N ATOM 983 CA SER A 66 18.682 -1.668 -3.757 1.00 11.20 C ATOM 984 C SER A 66 17.818 -2.943 -3.671 1.00 54.44 C ATOM 985 O SER A 66 17.017 -3.233 -4.554 1.00 13.52 O ATOM 986 CB SER A 66 20.014 -1.963 -4.391 1.00 32.14 C ATOM 987 OG SER A 66 20.842 -0.810 -4.351 1.00 53.12 O ATOM 0 H SER A 66 19.920 -1.170 -2.168 1.00 53.40 H new ATOM 0 HA SER A 66 18.120 -0.954 -4.359 1.00 11.20 H new ATOM 0 HB2 SER A 66 20.500 -2.787 -3.868 1.00 32.14 H new ATOM 0 HB3 SER A 66 19.871 -2.281 -5.424 1.00 32.14 H new ATOM 0 HG SER A 66 21.707 -1.014 -4.765 1.00 53.12 H new ATOM 993 N THR A 67 17.956 -3.656 -2.580 1.00 14.03 N ATOM 994 CA THR A 67 17.252 -4.899 -2.395 1.00 34.02 C ATOM 995 C THR A 67 15.959 -4.690 -1.595 1.00 30.25 C ATOM 996 O THR A 67 15.171 -5.627 -1.412 1.00 1.25 O ATOM 997 CB THR A 67 18.170 -5.957 -1.698 1.00 55.13 C ATOM 998 OG1 THR A 67 17.477 -7.195 -1.506 1.00 44.21 O ATOM 999 CG2 THR A 67 18.692 -5.442 -0.359 1.00 1.21 C ATOM 0 H THR A 67 18.557 -3.392 -1.799 1.00 14.03 H new ATOM 0 HA THR A 67 16.978 -5.278 -3.380 1.00 34.02 H new ATOM 0 HB THR A 67 19.020 -6.131 -2.358 1.00 55.13 H new ATOM 0 HG1 THR A 67 16.512 -7.027 -1.467 1.00 44.21 H new ATOM 0 HG21 THR A 67 19.326 -6.200 0.100 1.00 1.21 H new ATOM 0 HG22 THR A 67 19.271 -4.533 -0.520 1.00 1.21 H new ATOM 0 HG23 THR A 67 17.851 -5.225 0.300 1.00 1.21 H new ATOM 1007 N ASP A 68 15.719 -3.474 -1.158 1.00 33.35 N ATOM 1008 CA ASP A 68 14.554 -3.197 -0.346 1.00 12.44 C ATOM 1009 C ASP A 68 13.764 -2.072 -0.969 1.00 44.23 C ATOM 1010 O ASP A 68 14.029 -0.906 -0.740 1.00 75.41 O ATOM 1011 CB ASP A 68 14.949 -2.872 1.103 1.00 64.24 C ATOM 1012 CG ASP A 68 13.769 -2.759 2.038 1.00 62.31 C ATOM 1013 OD1 ASP A 68 12.731 -3.422 1.773 1.00 54.01 O ATOM 1014 OD2 ASP A 68 13.881 -2.021 3.082 1.00 32.30 O ATOM 0 H ASP A 68 16.310 -2.665 -1.349 1.00 33.35 H new ATOM 0 HA ASP A 68 13.927 -4.088 -0.310 1.00 12.44 H new ATOM 0 HB2 ASP A 68 15.621 -3.648 1.471 1.00 64.24 H new ATOM 0 HB3 ASP A 68 15.505 -1.935 1.118 1.00 64.24 H new ATOM 1019 N SER A 69 12.882 -2.449 -1.857 1.00 3.51 N ATOM 1020 CA SER A 69 12.040 -1.522 -2.557 1.00 22.21 C ATOM 1021 C SER A 69 10.573 -1.816 -2.248 1.00 11.14 C ATOM 1022 O SER A 69 10.164 -2.998 -2.189 1.00 44.35 O ATOM 1023 CB SER A 69 12.343 -1.604 -4.057 1.00 50.53 C ATOM 1024 OG SER A 69 12.452 -2.974 -4.496 1.00 73.11 O ATOM 0 H SER A 69 12.728 -3.423 -2.116 1.00 3.51 H new ATOM 0 HA SER A 69 12.241 -0.503 -2.227 1.00 22.21 H new ATOM 0 HB2 SER A 69 11.554 -1.102 -4.617 1.00 50.53 H new ATOM 0 HB3 SER A 69 13.272 -1.076 -4.272 1.00 50.53 H new ATOM 0 HG SER A 69 12.644 -2.995 -5.457 1.00 73.11 H new ATOM 1030 N LEU A 70 9.798 -0.775 -2.093 1.00 33.32 N ATOM 1031 CA LEU A 70 8.417 -0.871 -1.676 1.00 30.51 C ATOM 1032 C LEU A 70 7.491 -0.880 -2.891 1.00 71.14 C ATOM 1033 O LEU A 70 7.514 0.026 -3.705 1.00 52.21 O ATOM 1034 CB LEU A 70 8.117 0.330 -0.720 1.00 22.30 C ATOM 1035 CG LEU A 70 6.712 0.468 -0.064 1.00 11.02 C ATOM 1036 CD1 LEU A 70 5.627 0.863 -1.063 1.00 75.23 C ATOM 1037 CD2 LEU A 70 6.330 -0.806 0.669 1.00 14.45 C ATOM 0 H LEU A 70 10.111 0.182 -2.255 1.00 33.32 H new ATOM 0 HA LEU A 70 8.240 -1.805 -1.143 1.00 30.51 H new ATOM 0 HB2 LEU A 70 8.850 0.294 0.086 1.00 22.30 H new ATOM 0 HB3 LEU A 70 8.305 1.246 -1.280 1.00 22.30 H new ATOM 0 HG LEU A 70 6.785 1.282 0.658 1.00 11.02 H new ATOM 0 HD11 LEU A 70 4.670 0.944 -0.548 1.00 75.23 H new ATOM 0 HD12 LEU A 70 5.879 1.823 -1.513 1.00 75.23 H new ATOM 0 HD13 LEU A 70 5.556 0.104 -1.842 1.00 75.23 H new ATOM 0 HD21 LEU A 70 5.345 -0.685 1.119 1.00 14.45 H new ATOM 0 HD22 LEU A 70 6.308 -1.638 -0.035 1.00 14.45 H new ATOM 0 HD23 LEU A 70 7.063 -1.010 1.450 1.00 14.45 H new ATOM 1049 N GLN A 71 6.702 -1.907 -3.022 1.00 10.42 N ATOM 1050 CA GLN A 71 5.722 -1.962 -4.085 1.00 13.24 C ATOM 1051 C GLN A 71 4.383 -2.326 -3.482 1.00 51.15 C ATOM 1052 O GLN A 71 4.260 -3.386 -2.847 1.00 23.04 O ATOM 1053 CB GLN A 71 6.116 -2.998 -5.124 1.00 23.13 C ATOM 1054 CG GLN A 71 5.275 -2.992 -6.376 1.00 72.55 C ATOM 1055 CD GLN A 71 5.679 -4.091 -7.334 1.00 20.12 C ATOM 1056 OE1 GLN A 71 6.839 -4.514 -7.362 1.00 14.21 O ATOM 1057 NE2 GLN A 71 4.748 -4.544 -8.133 1.00 1.34 N ATOM 0 H GLN A 71 6.713 -2.722 -2.409 1.00 10.42 H new ATOM 0 HA GLN A 71 5.665 -0.992 -4.578 1.00 13.24 H new ATOM 0 HB2 GLN A 71 7.157 -2.835 -5.402 1.00 23.13 H new ATOM 0 HB3 GLN A 71 6.059 -3.987 -4.670 1.00 23.13 H new ATOM 0 HG2 GLN A 71 4.225 -3.112 -6.108 1.00 72.55 H new ATOM 0 HG3 GLN A 71 5.369 -2.026 -6.872 1.00 72.55 H new ATOM 0 HE21 GLN A 71 3.801 -4.168 -8.078 1.00 1.34 H new ATOM 0 HE22 GLN A 71 4.968 -5.273 -8.811 1.00 1.34 H new ATOM 1066 N VAL A 72 3.404 -1.465 -3.635 1.00 31.12 N ATOM 1067 CA VAL A 72 2.081 -1.758 -3.142 1.00 34.03 C ATOM 1068 C VAL A 72 1.167 -1.959 -4.328 1.00 53.11 C ATOM 1069 O VAL A 72 1.030 -1.075 -5.173 1.00 53.12 O ATOM 1070 CB VAL A 72 1.517 -0.607 -2.243 1.00 52.35 C ATOM 1071 CG1 VAL A 72 0.107 -0.920 -1.765 1.00 51.30 C ATOM 1072 CG2 VAL A 72 2.400 -0.376 -1.046 1.00 63.33 C ATOM 0 H VAL A 72 3.499 -0.560 -4.095 1.00 31.12 H new ATOM 0 HA VAL A 72 2.134 -2.656 -2.526 1.00 34.03 H new ATOM 0 HB VAL A 72 1.494 0.294 -2.856 1.00 52.35 H new ATOM 0 HG11 VAL A 72 -0.256 -0.102 -1.143 1.00 51.30 H new ATOM 0 HG12 VAL A 72 -0.550 -1.041 -2.626 1.00 51.30 H new ATOM 0 HG13 VAL A 72 0.116 -1.842 -1.183 1.00 51.30 H new ATOM 0 HG21 VAL A 72 1.986 0.428 -0.438 1.00 63.33 H new ATOM 0 HG22 VAL A 72 2.454 -1.288 -0.452 1.00 63.33 H new ATOM 0 HG23 VAL A 72 3.400 -0.100 -1.380 1.00 63.33 H new ATOM 1082 N ALA A 73 0.556 -3.102 -4.385 1.00 53.33 N ATOM 1083 CA ALA A 73 -0.363 -3.413 -5.428 1.00 11.41 C ATOM 1084 C ALA A 73 -1.745 -3.223 -4.910 1.00 21.13 C ATOM 1085 O ALA A 73 -2.150 -3.860 -3.932 1.00 43.11 O ATOM 1086 CB ALA A 73 -0.159 -4.834 -5.916 1.00 65.32 C ATOM 0 H ALA A 73 0.684 -3.849 -3.702 1.00 53.33 H new ATOM 0 HA ALA A 73 -0.196 -2.751 -6.278 1.00 11.41 H new ATOM 0 HB1 ALA A 73 -0.871 -5.051 -6.712 1.00 65.32 H new ATOM 0 HB2 ALA A 73 0.856 -4.946 -6.296 1.00 65.32 H new ATOM 0 HB3 ALA A 73 -0.316 -5.528 -5.090 1.00 65.32 H new ATOM 1092 N MET A 74 -2.461 -2.349 -5.543 1.00 23.11 N ATOM 1093 CA MET A 74 -3.793 -2.010 -5.138 1.00 55.32 C ATOM 1094 C MET A 74 -4.675 -2.165 -6.325 1.00 12.31 C ATOM 1095 O MET A 74 -4.386 -1.623 -7.397 1.00 11.21 O ATOM 1096 CB MET A 74 -3.824 -0.561 -4.681 1.00 44.11 C ATOM 1097 CG MET A 74 -2.769 -0.252 -3.657 1.00 61.32 C ATOM 1098 SD MET A 74 -2.500 1.487 -3.391 1.00 34.33 S ATOM 1099 CE MET A 74 -4.113 2.019 -2.963 1.00 3.44 C ATOM 0 H MET A 74 -2.135 -1.843 -6.366 1.00 23.11 H new ATOM 0 HA MET A 74 -4.124 -2.651 -4.321 1.00 55.32 H new ATOM 0 HB2 MET A 74 -3.688 0.091 -5.544 1.00 44.11 H new ATOM 0 HB3 MET A 74 -4.806 -0.337 -4.264 1.00 44.11 H new ATOM 0 HG2 MET A 74 -3.050 -0.714 -2.711 1.00 61.32 H new ATOM 0 HG3 MET A 74 -1.830 -0.710 -3.969 1.00 61.32 H new ATOM 0 HE1 MET A 74 -4.048 2.893 -2.315 1.00 3.44 H new ATOM 0 HE2 MET A 74 -4.663 2.279 -3.868 1.00 3.44 H new ATOM 0 HE3 MET A 74 -4.634 1.217 -2.440 1.00 3.44 H new ATOM 1109 N LYS A 75 -5.661 -2.974 -6.206 1.00 73.52 N ATOM 1110 CA LYS A 75 -6.589 -3.130 -7.263 1.00 50.25 C ATOM 1111 C LYS A 75 -8.002 -3.391 -6.776 1.00 31.51 C ATOM 1112 O LYS A 75 -8.210 -3.983 -5.707 1.00 52.11 O ATOM 1113 CB LYS A 75 -6.047 -3.981 -8.437 1.00 74.44 C ATOM 1114 CG LYS A 75 -5.574 -5.369 -8.106 1.00 64.02 C ATOM 1115 CD LYS A 75 -4.503 -5.860 -9.108 1.00 12.13 C ATOM 1116 CE LYS A 75 -3.049 -5.377 -8.784 1.00 71.22 C ATOM 1117 NZ LYS A 75 -2.822 -3.901 -8.829 1.00 13.13 N ATOM 0 H LYS A 75 -5.848 -3.543 -5.380 1.00 73.52 H new ATOM 0 HA LYS A 75 -6.707 -2.163 -7.752 1.00 50.25 H new ATOM 0 HB2 LYS A 75 -6.831 -4.060 -9.190 1.00 74.44 H new ATOM 0 HB3 LYS A 75 -5.219 -3.440 -8.895 1.00 74.44 H new ATOM 0 HG2 LYS A 75 -5.162 -5.383 -7.097 1.00 64.02 H new ATOM 0 HG3 LYS A 75 -6.422 -6.054 -8.114 1.00 64.02 H new ATOM 0 HD2 LYS A 75 -4.515 -6.950 -9.130 1.00 12.13 H new ATOM 0 HD3 LYS A 75 -4.773 -5.518 -10.107 1.00 12.13 H new ATOM 0 HE2 LYS A 75 -2.782 -5.735 -7.790 1.00 71.22 H new ATOM 0 HE3 LYS A 75 -2.365 -5.851 -9.488 1.00 71.22 H new ATOM 0 HZ1 LYS A 75 -1.842 -3.692 -8.550 1.00 13.13 H new ATOM 0 HZ2 LYS A 75 -2.988 -3.553 -9.795 1.00 13.13 H new ATOM 0 HZ3 LYS A 75 -3.477 -3.429 -8.174 1.00 13.13 H new ATOM 1131 N LYS A 76 -8.922 -2.895 -7.533 1.00 75.12 N ATOM 1132 CA LYS A 76 -10.321 -2.752 -7.194 1.00 54.33 C ATOM 1133 C LYS A 76 -11.101 -4.035 -7.356 1.00 61.55 C ATOM 1134 O LYS A 76 -11.088 -4.665 -8.414 1.00 25.45 O ATOM 1135 CB LYS A 76 -10.884 -1.717 -8.151 1.00 1.54 C ATOM 1136 CG LYS A 76 -12.300 -1.231 -7.906 1.00 60.24 C ATOM 1137 CD LYS A 76 -12.677 -0.250 -9.004 1.00 0.33 C ATOM 1138 CE LYS A 76 -12.981 -0.962 -10.292 1.00 31.24 C ATOM 1139 NZ LYS A 76 -13.109 -0.014 -11.419 1.00 62.01 N ATOM 0 H LYS A 76 -8.715 -2.552 -8.471 1.00 75.12 H new ATOM 0 HA LYS A 76 -10.407 -2.465 -6.146 1.00 54.33 H new ATOM 0 HB2 LYS A 76 -10.224 -0.850 -8.135 1.00 1.54 H new ATOM 0 HB3 LYS A 76 -10.841 -2.132 -9.158 1.00 1.54 H new ATOM 0 HG2 LYS A 76 -12.992 -2.073 -7.898 1.00 60.24 H new ATOM 0 HG3 LYS A 76 -12.371 -0.751 -6.930 1.00 60.24 H new ATOM 0 HD2 LYS A 76 -13.546 0.331 -8.693 1.00 0.33 H new ATOM 0 HD3 LYS A 76 -11.861 0.456 -9.160 1.00 0.33 H new ATOM 0 HE2 LYS A 76 -12.190 -1.680 -10.507 1.00 31.24 H new ATOM 0 HE3 LYS A 76 -13.906 -1.529 -10.186 1.00 31.24 H new ATOM 0 HZ1 LYS A 76 -12.767 -0.464 -12.292 1.00 62.01 H new ATOM 0 HZ2 LYS A 76 -14.107 0.254 -11.536 1.00 62.01 H new ATOM 0 HZ3 LYS A 76 -12.543 0.836 -11.223 1.00 62.01 H new ATOM 1153 N LEU A 77 -11.784 -4.388 -6.309 1.00 64.35 N ATOM 1154 CA LEU A 77 -12.658 -5.523 -6.297 1.00 64.52 C ATOM 1155 C LEU A 77 -14.032 -4.989 -6.760 1.00 43.31 C ATOM 1156 O LEU A 77 -14.358 -3.832 -6.471 1.00 35.54 O ATOM 1157 CB LEU A 77 -12.741 -6.081 -4.851 1.00 72.51 C ATOM 1158 CG LEU A 77 -13.396 -7.459 -4.638 1.00 4.14 C ATOM 1159 CD1 LEU A 77 -12.584 -8.561 -5.304 1.00 65.45 C ATOM 1160 CD2 LEU A 77 -13.555 -7.756 -3.154 1.00 61.05 C ATOM 0 H LEU A 77 -11.749 -3.886 -5.422 1.00 64.35 H new ATOM 0 HA LEU A 77 -12.313 -6.330 -6.943 1.00 64.52 H new ATOM 0 HB2 LEU A 77 -11.727 -6.130 -4.454 1.00 72.51 H new ATOM 0 HB3 LEU A 77 -13.286 -5.357 -4.245 1.00 72.51 H new ATOM 0 HG LEU A 77 -14.383 -7.431 -5.100 1.00 4.14 H new ATOM 0 HD11 LEU A 77 -13.070 -9.522 -5.137 1.00 65.45 H new ATOM 0 HD12 LEU A 77 -12.519 -8.368 -6.375 1.00 65.45 H new ATOM 0 HD13 LEU A 77 -11.581 -8.582 -4.877 1.00 65.45 H new ATOM 0 HD21 LEU A 77 -14.020 -8.734 -3.026 1.00 61.05 H new ATOM 0 HD22 LEU A 77 -12.576 -7.754 -2.676 1.00 61.05 H new ATOM 0 HD23 LEU A 77 -14.184 -6.993 -2.696 1.00 61.05 H new ATOM 1172 N PRO A 78 -14.841 -5.795 -7.484 1.00 24.43 N ATOM 1173 CA PRO A 78 -16.170 -5.372 -8.023 1.00 51.41 C ATOM 1174 C PRO A 78 -17.139 -4.843 -6.953 1.00 11.22 C ATOM 1175 O PRO A 78 -18.099 -4.155 -7.258 1.00 24.44 O ATOM 1176 CB PRO A 78 -16.740 -6.661 -8.624 1.00 52.54 C ATOM 1177 CG PRO A 78 -15.563 -7.531 -8.885 1.00 10.54 C ATOM 1178 CD PRO A 78 -14.525 -7.173 -7.857 1.00 53.31 C ATOM 0 HA PRO A 78 -16.050 -4.547 -8.725 1.00 51.41 H new ATOM 0 HB2 PRO A 78 -17.437 -7.140 -7.937 1.00 52.54 H new ATOM 0 HB3 PRO A 78 -17.289 -6.456 -9.543 1.00 52.54 H new ATOM 0 HG2 PRO A 78 -15.835 -8.584 -8.810 1.00 10.54 H new ATOM 0 HG3 PRO A 78 -15.180 -7.372 -9.893 1.00 10.54 H new ATOM 0 HD2 PRO A 78 -14.573 -7.839 -6.995 1.00 53.31 H new ATOM 0 HD3 PRO A 78 -13.518 -7.253 -8.265 1.00 53.31 H new ATOM 1186 N ASN A 79 -16.862 -5.160 -5.711 1.00 64.43 N ATOM 1187 CA ASN A 79 -17.701 -4.755 -4.586 1.00 30.34 C ATOM 1188 C ASN A 79 -17.268 -3.399 -4.048 1.00 53.10 C ATOM 1189 O ASN A 79 -17.717 -2.984 -2.982 1.00 11.35 O ATOM 1190 CB ASN A 79 -17.603 -5.791 -3.457 1.00 63.42 C ATOM 1191 CG ASN A 79 -18.019 -7.180 -3.890 1.00 24.21 C ATOM 1192 OD1 ASN A 79 -17.202 -7.955 -4.374 1.00 24.33 O ATOM 1193 ND2 ASN A 79 -19.273 -7.510 -3.711 1.00 63.42 N ATOM 0 H ASN A 79 -16.046 -5.709 -5.441 1.00 64.43 H new ATOM 0 HA ASN A 79 -18.729 -4.687 -4.941 1.00 30.34 H new ATOM 0 HB2 ASN A 79 -16.577 -5.823 -3.089 1.00 63.42 H new ATOM 0 HB3 ASN A 79 -18.230 -5.473 -2.624 1.00 63.42 H new ATOM 0 HD21 ASN A 79 -19.599 -8.439 -3.977 1.00 63.42 H new ATOM 0 HD22 ASN A 79 -19.924 -6.838 -3.305 1.00 63.42 H new ATOM 1200 N ASN A 80 -16.385 -2.724 -4.796 1.00 30.51 N ATOM 1201 CA ASN A 80 -15.811 -1.420 -4.414 1.00 72.23 C ATOM 1202 C ASN A 80 -14.939 -1.557 -3.205 1.00 14.52 C ATOM 1203 O ASN A 80 -14.777 -0.637 -2.417 1.00 51.53 O ATOM 1204 CB ASN A 80 -16.875 -0.326 -4.228 1.00 22.14 C ATOM 1205 CG ASN A 80 -17.464 0.139 -5.547 1.00 1.45 C ATOM 1206 OD1 ASN A 80 -16.795 0.123 -6.582 1.00 41.43 O ATOM 1207 ND2 ASN A 80 -18.704 0.558 -5.528 1.00 13.15 N ATOM 0 H ASN A 80 -16.043 -3.069 -5.693 1.00 30.51 H new ATOM 0 HA ASN A 80 -15.190 -1.091 -5.248 1.00 72.23 H new ATOM 0 HB2 ASN A 80 -17.674 -0.705 -3.590 1.00 22.14 H new ATOM 0 HB3 ASN A 80 -16.431 0.525 -3.712 1.00 22.14 H new ATOM 0 HD21 ASN A 80 -19.145 0.885 -6.388 1.00 13.15 H new ATOM 0 HD22 ASN A 80 -19.229 0.558 -4.654 1.00 13.15 H new ATOM 1214 N ALA A 81 -14.351 -2.709 -3.102 1.00 21.43 N ATOM 1215 CA ALA A 81 -13.417 -3.033 -2.070 1.00 23.35 C ATOM 1216 C ALA A 81 -12.047 -3.015 -2.703 1.00 43.45 C ATOM 1217 O ALA A 81 -11.942 -3.074 -3.929 1.00 42.50 O ATOM 1218 CB ALA A 81 -13.724 -4.406 -1.503 1.00 63.21 C ATOM 0 H ALA A 81 -14.514 -3.474 -3.756 1.00 21.43 H new ATOM 0 HA ALA A 81 -13.472 -2.319 -1.248 1.00 23.35 H new ATOM 0 HB1 ALA A 81 -13.007 -4.644 -0.717 1.00 63.21 H new ATOM 0 HB2 ALA A 81 -14.732 -4.411 -1.088 1.00 63.21 H new ATOM 0 HB3 ALA A 81 -13.654 -5.151 -2.296 1.00 63.21 H new ATOM 1224 N THR A 82 -11.015 -2.923 -1.933 1.00 42.23 N ATOM 1225 CA THR A 82 -9.713 -2.861 -2.516 1.00 43.04 C ATOM 1226 C THR A 82 -8.840 -4.014 -2.001 1.00 11.15 C ATOM 1227 O THR A 82 -8.868 -4.351 -0.813 1.00 42.03 O ATOM 1228 CB THR A 82 -9.059 -1.501 -2.218 1.00 14.14 C ATOM 1229 OG1 THR A 82 -10.039 -0.468 -2.409 1.00 72.30 O ATOM 1230 CG2 THR A 82 -7.919 -1.242 -3.189 1.00 44.44 C ATOM 0 H THR A 82 -11.043 -2.889 -0.914 1.00 42.23 H new ATOM 0 HA THR A 82 -9.808 -2.964 -3.597 1.00 43.04 H new ATOM 0 HB THR A 82 -8.681 -1.507 -1.196 1.00 14.14 H new ATOM 0 HG1 THR A 82 -10.678 -0.482 -1.666 1.00 72.30 H new ATOM 0 HG21 THR A 82 -7.465 -0.276 -2.967 1.00 44.44 H new ATOM 0 HG22 THR A 82 -7.170 -2.027 -3.088 1.00 44.44 H new ATOM 0 HG23 THR A 82 -8.304 -1.236 -4.209 1.00 44.44 H new ATOM 1238 N ARG A 83 -8.107 -4.625 -2.889 1.00 23.41 N ATOM 1239 CA ARG A 83 -7.216 -5.710 -2.550 1.00 1.50 C ATOM 1240 C ARG A 83 -5.798 -5.158 -2.561 1.00 24.23 C ATOM 1241 O ARG A 83 -5.357 -4.596 -3.577 1.00 75.14 O ATOM 1242 CB ARG A 83 -7.374 -6.831 -3.598 1.00 3.33 C ATOM 1243 CG ARG A 83 -6.501 -8.075 -3.404 1.00 43.21 C ATOM 1244 CD ARG A 83 -6.851 -8.869 -2.146 1.00 61.25 C ATOM 1245 NE ARG A 83 -6.098 -10.145 -2.101 1.00 14.13 N ATOM 1246 CZ ARG A 83 -5.891 -10.901 -1.005 1.00 3.51 C ATOM 1247 NH1 ARG A 83 -6.433 -10.569 0.148 1.00 52.10 N ATOM 1248 NH2 ARG A 83 -5.163 -12.022 -1.095 1.00 13.33 N ATOM 0 H ARG A 83 -8.108 -4.385 -3.880 1.00 23.41 H new ATOM 0 HA ARG A 83 -7.443 -6.123 -1.567 1.00 1.50 H new ATOM 0 HB2 ARG A 83 -8.418 -7.145 -3.608 1.00 3.33 H new ATOM 0 HB3 ARG A 83 -7.158 -6.412 -4.581 1.00 3.33 H new ATOM 0 HG2 ARG A 83 -6.605 -8.723 -4.275 1.00 43.21 H new ATOM 0 HG3 ARG A 83 -5.455 -7.772 -3.355 1.00 43.21 H new ATOM 0 HD2 ARG A 83 -6.622 -8.275 -1.261 1.00 61.25 H new ATOM 0 HD3 ARG A 83 -7.922 -9.073 -2.125 1.00 61.25 H new ATOM 0 HE ARG A 83 -5.701 -10.481 -2.978 1.00 14.13 H new ATOM 0 HH11 ARG A 83 -7.015 -9.734 0.216 1.00 52.10 H new ATOM 0 HH12 ARG A 83 -6.271 -11.147 0.973 1.00 52.10 H new ATOM 0 HH21 ARG A 83 -4.766 -12.302 -1.992 1.00 13.33 H new ATOM 0 HH22 ARG A 83 -5.005 -12.596 -0.266 1.00 13.33 H new ATOM 1262 N ILE A 84 -5.104 -5.285 -1.444 1.00 12.13 N ATOM 1263 CA ILE A 84 -3.764 -4.753 -1.309 1.00 23.24 C ATOM 1264 C ILE A 84 -2.755 -5.880 -1.142 1.00 12.22 C ATOM 1265 O ILE A 84 -2.946 -6.794 -0.345 1.00 44.05 O ATOM 1266 CB ILE A 84 -3.683 -3.714 -0.092 1.00 1.12 C ATOM 1267 CG1 ILE A 84 -3.880 -2.276 -0.564 1.00 62.41 C ATOM 1268 CG2 ILE A 84 -2.417 -3.812 0.756 1.00 5.42 C ATOM 1269 CD1 ILE A 84 -5.238 -1.970 -1.117 1.00 12.05 C ATOM 0 H ILE A 84 -5.453 -5.758 -0.610 1.00 12.13 H new ATOM 0 HA ILE A 84 -3.515 -4.212 -2.222 1.00 23.24 H new ATOM 0 HB ILE A 84 -4.507 -4.005 0.559 1.00 1.12 H new ATOM 0 HG12 ILE A 84 -3.686 -1.605 0.273 1.00 62.41 H new ATOM 0 HG13 ILE A 84 -3.135 -2.056 -1.329 1.00 62.41 H new ATOM 0 HG21 ILE A 84 -2.455 -3.070 1.553 1.00 5.42 H new ATOM 0 HG22 ILE A 84 -2.347 -4.809 1.191 1.00 5.42 H new ATOM 0 HG23 ILE A 84 -1.544 -3.628 0.130 1.00 5.42 H new ATOM 0 HD11 ILE A 84 -5.279 -0.925 -1.425 1.00 12.05 H new ATOM 0 HD12 ILE A 84 -5.433 -2.610 -1.978 1.00 12.05 H new ATOM 0 HD13 ILE A 84 -5.992 -2.152 -0.351 1.00 12.05 H new ATOM 1281 N SER A 85 -1.727 -5.815 -1.921 1.00 3.50 N ATOM 1282 CA SER A 85 -0.624 -6.723 -1.839 1.00 70.42 C ATOM 1283 C SER A 85 0.632 -5.893 -1.761 1.00 34.11 C ATOM 1284 O SER A 85 0.927 -5.140 -2.680 1.00 4.33 O ATOM 1285 CB SER A 85 -0.604 -7.655 -3.059 1.00 33.22 C ATOM 1286 OG SER A 85 0.406 -8.649 -2.957 1.00 22.03 O ATOM 0 H SER A 85 -1.625 -5.112 -2.653 1.00 3.50 H new ATOM 0 HA SER A 85 -0.707 -7.359 -0.958 1.00 70.42 H new ATOM 0 HB2 SER A 85 -1.576 -8.136 -3.163 1.00 33.22 H new ATOM 0 HB3 SER A 85 -0.442 -7.066 -3.962 1.00 33.22 H new ATOM 0 HG SER A 85 0.383 -9.221 -3.752 1.00 22.03 H new ATOM 1292 N ILE A 86 1.341 -5.985 -0.702 1.00 3.25 N ATOM 1293 CA ILE A 86 2.525 -5.193 -0.553 1.00 0.34 C ATOM 1294 C ILE A 86 3.723 -6.102 -0.535 1.00 63.32 C ATOM 1295 O ILE A 86 3.715 -7.110 0.162 1.00 15.24 O ATOM 1296 CB ILE A 86 2.501 -4.402 0.769 1.00 72.51 C ATOM 1297 CG1 ILE A 86 1.179 -3.648 0.932 1.00 31.22 C ATOM 1298 CG2 ILE A 86 3.663 -3.427 0.791 1.00 1.54 C ATOM 1299 CD1 ILE A 86 1.027 -2.941 2.264 1.00 71.04 C ATOM 0 H ILE A 86 1.131 -6.600 0.084 1.00 3.25 H new ATOM 0 HA ILE A 86 2.575 -4.492 -1.386 1.00 0.34 H new ATOM 0 HB ILE A 86 2.594 -5.102 1.599 1.00 72.51 H new ATOM 0 HG12 ILE A 86 1.092 -2.913 0.131 1.00 31.22 H new ATOM 0 HG13 ILE A 86 0.355 -4.351 0.811 1.00 31.22 H new ATOM 0 HG21 ILE A 86 3.649 -2.865 1.725 1.00 1.54 H new ATOM 0 HG22 ILE A 86 4.601 -3.977 0.712 1.00 1.54 H new ATOM 0 HG23 ILE A 86 3.575 -2.737 -0.048 1.00 1.54 H new ATOM 0 HD11 ILE A 86 0.064 -2.432 2.298 1.00 71.04 H new ATOM 0 HD12 ILE A 86 1.080 -3.671 3.072 1.00 71.04 H new ATOM 0 HD13 ILE A 86 1.828 -2.211 2.382 1.00 71.04 H new ATOM 1311 N LYS A 87 4.737 -5.772 -1.280 1.00 43.40 N ATOM 1312 CA LYS A 87 5.927 -6.565 -1.255 1.00 14.30 C ATOM 1313 C LYS A 87 7.034 -5.736 -0.651 1.00 14.53 C ATOM 1314 O LYS A 87 7.217 -4.555 -1.010 1.00 73.10 O ATOM 1315 CB LYS A 87 6.286 -7.137 -2.668 1.00 44.40 C ATOM 1316 CG LYS A 87 6.891 -6.181 -3.685 1.00 10.01 C ATOM 1317 CD LYS A 87 8.401 -6.041 -3.507 1.00 14.24 C ATOM 1318 CE LYS A 87 9.006 -5.079 -4.503 1.00 23.54 C ATOM 1319 NZ LYS A 87 10.426 -4.836 -4.195 1.00 62.32 N ATOM 0 H LYS A 87 4.763 -4.967 -1.906 1.00 43.40 H new ATOM 0 HA LYS A 87 5.771 -7.447 -0.634 1.00 14.30 H new ATOM 0 HB2 LYS A 87 6.983 -7.963 -2.528 1.00 44.40 H new ATOM 0 HB3 LYS A 87 5.378 -7.556 -3.101 1.00 44.40 H new ATOM 0 HG2 LYS A 87 6.676 -6.538 -4.692 1.00 10.01 H new ATOM 0 HG3 LYS A 87 6.422 -5.202 -3.587 1.00 10.01 H new ATOM 0 HD2 LYS A 87 8.616 -5.697 -2.495 1.00 14.24 H new ATOM 0 HD3 LYS A 87 8.870 -7.019 -3.617 1.00 14.24 H new ATOM 0 HE2 LYS A 87 8.911 -5.484 -5.511 1.00 23.54 H new ATOM 0 HE3 LYS A 87 8.458 -4.137 -4.485 1.00 23.54 H new ATOM 0 HZ1 LYS A 87 10.819 -4.160 -4.880 1.00 62.32 H new ATOM 0 HZ2 LYS A 87 10.511 -4.445 -3.235 1.00 62.32 H new ATOM 0 HZ3 LYS A 87 10.952 -5.731 -4.252 1.00 62.32 H new ATOM 1333 N TYR A 88 7.713 -6.308 0.285 1.00 5.30 N ATOM 1334 CA TYR A 88 8.776 -5.646 0.960 1.00 0.15 C ATOM 1335 C TYR A 88 10.012 -6.496 0.861 1.00 1.31 C ATOM 1336 O TYR A 88 9.900 -7.690 0.571 1.00 44.12 O ATOM 1337 CB TYR A 88 8.406 -5.390 2.406 1.00 31.11 C ATOM 1338 CG TYR A 88 9.318 -4.409 3.096 1.00 52.14 C ATOM 1339 CD1 TYR A 88 9.080 -3.047 3.002 1.00 72.21 C ATOM 1340 CD2 TYR A 88 10.426 -4.829 3.795 1.00 32.25 C ATOM 1341 CE1 TYR A 88 9.927 -2.143 3.583 1.00 13.44 C ATOM 1342 CE2 TYR A 88 11.267 -3.936 4.381 1.00 25.32 C ATOM 1343 CZ TYR A 88 11.018 -2.597 4.274 1.00 70.12 C ATOM 1344 OH TYR A 88 11.890 -1.712 4.823 1.00 40.41 O ATOM 0 H TYR A 88 7.543 -7.261 0.607 1.00 5.30 H new ATOM 0 HA TYR A 88 8.966 -4.679 0.495 1.00 0.15 H new ATOM 0 HB2 TYR A 88 7.383 -5.016 2.450 1.00 31.11 H new ATOM 0 HB3 TYR A 88 8.424 -6.335 2.950 1.00 31.11 H new ATOM 0 HD1 TYR A 88 8.214 -2.694 2.462 1.00 72.21 H new ATOM 0 HD2 TYR A 88 10.631 -5.886 3.880 1.00 32.25 H new ATOM 0 HE1 TYR A 88 9.737 -1.083 3.497 1.00 13.44 H new ATOM 0 HE2 TYR A 88 12.130 -4.284 4.930 1.00 25.32 H new ATOM 0 HH TYR A 88 12.737 -1.739 4.331 1.00 40.41 H new ATOM 1354 N GLY A 89 11.176 -5.889 1.017 1.00 71.42 N ATOM 1355 CA GLY A 89 12.394 -6.636 1.015 1.00 4.43 C ATOM 1356 C GLY A 89 12.604 -7.440 2.308 1.00 22.42 C ATOM 1357 O GLY A 89 11.644 -7.848 2.983 1.00 54.23 O ATOM 0 H GLY A 89 11.290 -4.884 1.145 1.00 71.42 H new ATOM 0 HA2 GLY A 89 12.395 -7.318 0.165 1.00 4.43 H new ATOM 0 HA3 GLY A 89 13.233 -5.954 0.877 1.00 4.43 H new ATOM 1361 N SER A 90 13.851 -7.577 2.677 1.00 2.52 N ATOM 1362 CA SER A 90 14.324 -8.439 3.756 1.00 4.01 C ATOM 1363 C SER A 90 13.659 -8.236 5.147 1.00 41.31 C ATOM 1364 O SER A 90 13.618 -9.172 5.937 1.00 51.21 O ATOM 1365 CB SER A 90 15.823 -8.242 3.860 1.00 62.31 C ATOM 1366 OG SER A 90 16.401 -8.309 2.558 1.00 5.01 O ATOM 0 H SER A 90 14.609 -7.071 2.218 1.00 2.52 H new ATOM 0 HA SER A 90 14.040 -9.457 3.488 1.00 4.01 H new ATOM 0 HB2 SER A 90 16.043 -7.278 4.319 1.00 62.31 H new ATOM 0 HB3 SER A 90 16.258 -9.007 4.503 1.00 62.31 H new ATOM 0 HG SER A 90 17.370 -8.180 2.623 1.00 5.01 H new ATOM 1372 N GLN A 91 13.122 -7.054 5.435 1.00 23.53 N ATOM 1373 CA GLN A 91 12.610 -6.808 6.794 1.00 64.04 C ATOM 1374 C GLN A 91 11.142 -7.226 6.935 1.00 43.51 C ATOM 1375 O GLN A 91 10.621 -7.310 8.048 1.00 0.30 O ATOM 1376 CB GLN A 91 12.778 -5.335 7.210 1.00 41.54 C ATOM 1377 CG GLN A 91 14.163 -4.742 6.934 1.00 70.22 C ATOM 1378 CD GLN A 91 15.289 -5.511 7.599 1.00 2.14 C ATOM 1379 OE1 GLN A 91 15.849 -6.433 7.027 1.00 10.25 O ATOM 1380 NE2 GLN A 91 15.643 -5.126 8.793 1.00 31.05 N ATOM 0 H GLN A 91 13.028 -6.276 4.782 1.00 23.53 H new ATOM 0 HA GLN A 91 13.209 -7.426 7.464 1.00 64.04 H new ATOM 0 HB2 GLN A 91 12.032 -4.737 6.687 1.00 41.54 H new ATOM 0 HB3 GLN A 91 12.567 -5.247 8.276 1.00 41.54 H new ATOM 0 HG2 GLN A 91 14.333 -4.721 5.858 1.00 70.22 H new ATOM 0 HG3 GLN A 91 14.184 -3.709 7.281 1.00 70.22 H new ATOM 0 HE21 GLN A 91 15.156 -4.352 9.245 1.00 31.05 H new ATOM 0 HE22 GLN A 91 16.407 -5.599 9.276 1.00 31.05 H new ATOM 1389 N GLY A 92 10.485 -7.491 5.815 1.00 71.30 N ATOM 1390 CA GLY A 92 9.080 -7.849 5.849 1.00 43.25 C ATOM 1391 C GLY A 92 8.172 -6.633 6.018 1.00 10.01 C ATOM 1392 O GLY A 92 8.395 -5.778 6.886 1.00 31.53 O ATOM 0 H GLY A 92 10.899 -7.465 4.883 1.00 71.30 H new ATOM 0 HA2 GLY A 92 8.818 -8.369 4.927 1.00 43.25 H new ATOM 0 HA3 GLY A 92 8.905 -8.546 6.669 1.00 43.25 H new ATOM 1396 N ASN A 93 7.147 -6.536 5.197 1.00 73.55 N ATOM 1397 CA ASN A 93 6.253 -5.386 5.259 1.00 64.52 C ATOM 1398 C ASN A 93 5.334 -5.402 6.465 1.00 23.51 C ATOM 1399 O ASN A 93 4.687 -4.427 6.716 1.00 22.23 O ATOM 1400 CB ASN A 93 5.419 -5.229 3.996 1.00 72.10 C ATOM 1401 CG ASN A 93 5.140 -3.758 3.704 1.00 71.04 C ATOM 1402 OD1 ASN A 93 5.934 -3.094 3.080 1.00 42.12 O ATOM 1403 ND2 ASN A 93 4.026 -3.246 4.133 1.00 51.31 N ATOM 0 H ASN A 93 6.909 -7.227 4.485 1.00 73.55 H new ATOM 0 HA ASN A 93 6.919 -4.529 5.354 1.00 64.52 H new ATOM 0 HB2 ASN A 93 5.943 -5.678 3.152 1.00 72.10 H new ATOM 0 HB3 ASN A 93 4.477 -5.766 4.109 1.00 72.10 H new ATOM 0 HD21 ASN A 93 3.809 -2.267 3.945 1.00 51.31 H new ATOM 0 HD22 ASN A 93 3.369 -3.823 4.658 1.00 51.31 H new ATOM 1410 N SER A 94 5.293 -6.502 7.207 1.00 74.34 N ATOM 1411 CA SER A 94 4.389 -6.668 8.363 1.00 70.33 C ATOM 1412 C SER A 94 4.373 -5.434 9.298 1.00 24.15 C ATOM 1413 O SER A 94 3.306 -4.939 9.671 1.00 14.11 O ATOM 1414 CB SER A 94 4.820 -7.900 9.137 1.00 32.33 C ATOM 1415 OG SER A 94 4.959 -8.998 8.259 1.00 52.13 O ATOM 0 H SER A 94 5.885 -7.314 7.031 1.00 74.34 H new ATOM 0 HA SER A 94 3.373 -6.780 7.983 1.00 70.33 H new ATOM 0 HB2 SER A 94 5.765 -7.708 9.645 1.00 32.33 H new ATOM 0 HB3 SER A 94 4.085 -8.131 9.908 1.00 32.33 H new ATOM 0 HG SER A 94 5.239 -9.789 8.766 1.00 52.13 H new ATOM 1421 N ILE A 95 5.557 -4.919 9.609 1.00 12.43 N ATOM 1422 CA ILE A 95 5.693 -3.759 10.488 1.00 63.24 C ATOM 1423 C ILE A 95 5.135 -2.508 9.792 1.00 3.24 C ATOM 1424 O ILE A 95 4.429 -1.702 10.396 1.00 72.24 O ATOM 1425 CB ILE A 95 7.198 -3.508 10.924 1.00 2.02 C ATOM 1426 CG1 ILE A 95 7.770 -4.656 11.804 1.00 43.14 C ATOM 1427 CG2 ILE A 95 7.357 -2.177 11.658 1.00 10.52 C ATOM 1428 CD1 ILE A 95 8.013 -5.976 11.093 1.00 60.40 C ATOM 0 H ILE A 95 6.443 -5.288 9.264 1.00 12.43 H new ATOM 0 HA ILE A 95 5.122 -3.967 11.393 1.00 63.24 H new ATOM 0 HB ILE A 95 7.771 -3.478 9.997 1.00 2.02 H new ATOM 0 HG12 ILE A 95 8.712 -4.320 12.239 1.00 43.14 H new ATOM 0 HG13 ILE A 95 7.082 -4.832 12.631 1.00 43.14 H new ATOM 0 HG21 ILE A 95 8.401 -2.040 11.941 1.00 10.52 H new ATOM 0 HG22 ILE A 95 7.048 -1.362 11.004 1.00 10.52 H new ATOM 0 HG23 ILE A 95 6.736 -2.179 12.554 1.00 10.52 H new ATOM 0 HD11 ILE A 95 8.411 -6.703 11.801 1.00 60.40 H new ATOM 0 HD12 ILE A 95 7.074 -6.347 10.683 1.00 60.40 H new ATOM 0 HD13 ILE A 95 8.729 -5.827 10.284 1.00 60.40 H new ATOM 1440 N ARG A 96 5.414 -2.396 8.504 1.00 44.44 N ATOM 1441 CA ARG A 96 5.004 -1.244 7.713 1.00 71.35 C ATOM 1442 C ARG A 96 3.497 -1.257 7.545 1.00 63.11 C ATOM 1443 O ARG A 96 2.844 -0.252 7.741 1.00 45.43 O ATOM 1444 CB ARG A 96 5.632 -1.290 6.323 1.00 72.32 C ATOM 1445 CG ARG A 96 7.110 -1.605 6.286 1.00 3.34 C ATOM 1446 CD ARG A 96 7.943 -0.593 7.034 1.00 70.12 C ATOM 1447 NE ARG A 96 9.354 -0.903 6.885 1.00 71.15 N ATOM 1448 CZ ARG A 96 10.349 -0.394 7.602 1.00 43.43 C ATOM 1449 NH1 ARG A 96 10.114 0.409 8.637 1.00 21.21 N ATOM 1450 NH2 ARG A 96 11.581 -0.681 7.273 1.00 1.14 N ATOM 0 H ARG A 96 5.931 -3.100 7.976 1.00 44.44 H new ATOM 0 HA ARG A 96 5.331 -0.343 8.233 1.00 71.35 H new ATOM 0 HB2 ARG A 96 5.104 -2.037 5.730 1.00 72.32 H new ATOM 0 HB3 ARG A 96 5.471 -0.327 5.839 1.00 72.32 H new ATOM 0 HG2 ARG A 96 7.277 -2.594 6.714 1.00 3.34 H new ATOM 0 HG3 ARG A 96 7.442 -1.646 5.249 1.00 3.34 H new ATOM 0 HD2 ARG A 96 7.740 0.409 6.655 1.00 70.12 H new ATOM 0 HD3 ARG A 96 7.671 -0.595 8.090 1.00 70.12 H new ATOM 0 HE ARG A 96 9.605 -1.576 6.161 1.00 71.15 H new ATOM 0 HH11 ARG A 96 9.155 0.644 8.893 1.00 21.21 H new ATOM 0 HH12 ARG A 96 10.893 0.789 9.175 1.00 21.21 H new ATOM 0 HH21 ARG A 96 11.767 -1.288 6.475 1.00 1.14 H new ATOM 0 HH22 ARG A 96 12.356 -0.298 7.814 1.00 1.14 H new ATOM 1464 N SER A 97 2.967 -2.430 7.205 1.00 23.04 N ATOM 1465 CA SER A 97 1.560 -2.631 6.947 1.00 13.50 C ATOM 1466 C SER A 97 0.698 -2.234 8.116 1.00 5.22 C ATOM 1467 O SER A 97 -0.350 -1.660 7.914 1.00 15.40 O ATOM 1468 CB SER A 97 1.297 -4.084 6.597 1.00 64.32 C ATOM 1469 OG SER A 97 2.032 -4.466 5.449 1.00 13.41 O ATOM 0 H SER A 97 3.523 -3.279 7.102 1.00 23.04 H new ATOM 0 HA SER A 97 1.295 -1.988 6.107 1.00 13.50 H new ATOM 0 HB2 SER A 97 1.571 -4.721 7.438 1.00 64.32 H new ATOM 0 HB3 SER A 97 0.232 -4.233 6.419 1.00 64.32 H new ATOM 0 HG SER A 97 1.534 -5.150 4.955 1.00 13.41 H new ATOM 1475 N SER A 98 1.155 -2.517 9.329 1.00 64.35 N ATOM 1476 CA SER A 98 0.400 -2.184 10.512 1.00 5.41 C ATOM 1477 C SER A 98 0.106 -0.669 10.538 1.00 23.41 C ATOM 1478 O SER A 98 -1.049 -0.254 10.670 1.00 74.23 O ATOM 1479 CB SER A 98 1.176 -2.637 11.769 1.00 63.11 C ATOM 1480 OG SER A 98 0.443 -2.412 12.962 1.00 33.30 O ATOM 0 H SER A 98 2.047 -2.977 9.511 1.00 64.35 H new ATOM 0 HA SER A 98 -0.556 -2.708 10.500 1.00 5.41 H new ATOM 0 HB2 SER A 98 1.413 -3.698 11.685 1.00 63.11 H new ATOM 0 HB3 SER A 98 2.124 -2.102 11.821 1.00 63.11 H new ATOM 0 HG SER A 98 0.970 -2.714 13.731 1.00 33.30 H new ATOM 1486 N ALA A 99 1.140 0.133 10.375 1.00 21.44 N ATOM 1487 CA ALA A 99 0.976 1.571 10.340 1.00 1.00 C ATOM 1488 C ALA A 99 0.308 2.044 9.050 1.00 72.23 C ATOM 1489 O ALA A 99 -0.644 2.815 9.093 1.00 51.22 O ATOM 1490 CB ALA A 99 2.304 2.277 10.564 1.00 73.03 C ATOM 0 H ALA A 99 2.102 -0.188 10.265 1.00 21.44 H new ATOM 0 HA ALA A 99 0.308 1.838 11.159 1.00 1.00 H new ATOM 0 HB1 ALA A 99 2.152 3.356 10.533 1.00 73.03 H new ATOM 0 HB2 ALA A 99 2.706 1.995 11.537 1.00 73.03 H new ATOM 0 HB3 ALA A 99 3.007 1.987 9.783 1.00 73.03 H new ATOM 1496 N LEU A 100 0.786 1.530 7.915 1.00 50.13 N ATOM 1497 CA LEU A 100 0.334 1.948 6.593 1.00 72.23 C ATOM 1498 C LEU A 100 -1.154 1.750 6.443 1.00 11.42 C ATOM 1499 O LEU A 100 -1.870 2.678 6.092 1.00 42.24 O ATOM 1500 CB LEU A 100 1.060 1.140 5.526 1.00 55.03 C ATOM 1501 CG LEU A 100 0.918 1.624 4.084 1.00 14.23 C ATOM 1502 CD1 LEU A 100 1.514 3.013 3.927 1.00 32.22 C ATOM 1503 CD2 LEU A 100 1.586 0.650 3.137 1.00 70.30 C ATOM 0 H LEU A 100 1.504 0.806 7.891 1.00 50.13 H new ATOM 0 HA LEU A 100 0.557 3.008 6.474 1.00 72.23 H new ATOM 0 HB2 LEU A 100 2.121 1.122 5.776 1.00 55.03 H new ATOM 0 HB3 LEU A 100 0.703 0.111 5.576 1.00 55.03 H new ATOM 0 HG LEU A 100 -0.143 1.677 3.838 1.00 14.23 H new ATOM 0 HD11 LEU A 100 1.404 3.342 2.894 1.00 32.22 H new ATOM 0 HD12 LEU A 100 0.994 3.708 4.586 1.00 32.22 H new ATOM 0 HD13 LEU A 100 2.572 2.987 4.189 1.00 32.22 H new ATOM 0 HD21 LEU A 100 1.478 1.006 2.113 1.00 70.30 H new ATOM 0 HD22 LEU A 100 2.645 0.571 3.384 1.00 70.30 H new ATOM 0 HD23 LEU A 100 1.117 -0.329 3.232 1.00 70.30 H new ATOM 1515 N ILE A 101 -1.613 0.554 6.781 1.00 23.53 N ATOM 1516 CA ILE A 101 -3.025 0.212 6.699 1.00 43.11 C ATOM 1517 C ILE A 101 -3.835 1.145 7.601 1.00 24.41 C ATOM 1518 O ILE A 101 -4.864 1.665 7.179 1.00 11.12 O ATOM 1519 CB ILE A 101 -3.285 -1.285 7.094 1.00 14.02 C ATOM 1520 CG1 ILE A 101 -2.750 -2.262 6.015 1.00 61.44 C ATOM 1521 CG2 ILE A 101 -4.754 -1.560 7.411 1.00 62.32 C ATOM 1522 CD1 ILE A 101 -3.402 -2.129 4.646 1.00 52.54 C ATOM 0 H ILE A 101 -1.020 -0.204 7.119 1.00 23.53 H new ATOM 0 HA ILE A 101 -3.342 0.337 5.664 1.00 43.11 H new ATOM 0 HB ILE A 101 -2.725 -1.463 8.012 1.00 14.02 H new ATOM 0 HG12 ILE A 101 -1.677 -2.107 5.906 1.00 61.44 H new ATOM 0 HG13 ILE A 101 -2.890 -3.283 6.370 1.00 61.44 H new ATOM 0 HG21 ILE A 101 -4.878 -2.609 7.678 1.00 62.32 H new ATOM 0 HG22 ILE A 101 -5.070 -0.934 8.245 1.00 62.32 H new ATOM 0 HG23 ILE A 101 -5.364 -1.333 6.536 1.00 62.32 H new ATOM 0 HD11 ILE A 101 -2.961 -2.853 3.961 1.00 52.54 H new ATOM 0 HD12 ILE A 101 -4.472 -2.316 4.733 1.00 52.54 H new ATOM 0 HD13 ILE A 101 -3.240 -1.122 4.262 1.00 52.54 H new ATOM 1534 N GLY A 102 -3.298 1.414 8.804 1.00 35.23 N ATOM 1535 CA GLY A 102 -3.966 2.275 9.771 1.00 70.13 C ATOM 1536 C GLY A 102 -4.212 3.667 9.241 1.00 22.41 C ATOM 1537 O GLY A 102 -5.296 4.245 9.426 1.00 50.41 O ATOM 0 H GLY A 102 -2.402 1.043 9.121 1.00 35.23 H new ATOM 0 HA2 GLY A 102 -4.918 1.826 10.055 1.00 70.13 H new ATOM 0 HA3 GLY A 102 -3.360 2.337 10.675 1.00 70.13 H new ATOM 1541 N ILE A 103 -3.223 4.191 8.566 1.00 61.14 N ATOM 1542 CA ILE A 103 -3.305 5.504 7.972 1.00 73.40 C ATOM 1543 C ILE A 103 -4.337 5.493 6.845 1.00 1.55 C ATOM 1544 O ILE A 103 -5.163 6.400 6.743 1.00 45.34 O ATOM 1545 CB ILE A 103 -1.931 5.933 7.405 1.00 24.20 C ATOM 1546 CG1 ILE A 103 -0.875 5.877 8.510 1.00 52.03 C ATOM 1547 CG2 ILE A 103 -2.010 7.349 6.827 1.00 53.10 C ATOM 1548 CD1 ILE A 103 0.542 5.914 8.001 1.00 31.11 C ATOM 0 H ILE A 103 -2.332 3.719 8.411 1.00 61.14 H new ATOM 0 HA ILE A 103 -3.605 6.215 8.742 1.00 73.40 H new ATOM 0 HB ILE A 103 -1.651 5.247 6.606 1.00 24.20 H new ATOM 0 HG12 ILE A 103 -1.029 6.715 9.189 1.00 52.03 H new ATOM 0 HG13 ILE A 103 -1.019 4.966 9.091 1.00 52.03 H new ATOM 0 HG21 ILE A 103 -1.035 7.636 6.432 1.00 53.10 H new ATOM 0 HG22 ILE A 103 -2.748 7.374 6.025 1.00 53.10 H new ATOM 0 HG23 ILE A 103 -2.303 8.046 7.612 1.00 53.10 H new ATOM 0 HD11 ILE A 103 1.232 5.871 8.843 1.00 31.11 H new ATOM 0 HD12 ILE A 103 0.715 5.061 7.345 1.00 31.11 H new ATOM 0 HD13 ILE A 103 0.705 6.837 7.445 1.00 31.11 H new ATOM 1560 N ILE A 104 -4.306 4.439 6.039 1.00 22.22 N ATOM 1561 CA ILE A 104 -5.199 4.317 4.899 1.00 72.50 C ATOM 1562 C ILE A 104 -6.659 4.221 5.351 1.00 74.11 C ATOM 1563 O ILE A 104 -7.499 5.005 4.908 1.00 10.02 O ATOM 1564 CB ILE A 104 -4.859 3.047 4.062 1.00 13.32 C ATOM 1565 CG1 ILE A 104 -3.424 3.109 3.542 1.00 24.44 C ATOM 1566 CG2 ILE A 104 -5.831 2.886 2.899 1.00 30.52 C ATOM 1567 CD1 ILE A 104 -2.947 1.819 2.896 1.00 52.31 C ATOM 0 H ILE A 104 -3.667 3.653 6.157 1.00 22.22 H new ATOM 0 HA ILE A 104 -5.063 5.210 4.289 1.00 72.50 H new ATOM 0 HB ILE A 104 -4.956 2.181 4.716 1.00 13.32 H new ATOM 0 HG12 ILE A 104 -3.346 3.918 2.816 1.00 24.44 H new ATOM 0 HG13 ILE A 104 -2.759 3.357 4.369 1.00 24.44 H new ATOM 0 HG21 ILE A 104 -5.573 1.993 2.330 1.00 30.52 H new ATOM 0 HG22 ILE A 104 -6.846 2.790 3.284 1.00 30.52 H new ATOM 0 HG23 ILE A 104 -5.770 3.760 2.250 1.00 30.52 H new ATOM 0 HD11 ILE A 104 -1.920 1.942 2.552 1.00 52.31 H new ATOM 0 HD12 ILE A 104 -2.991 1.009 3.624 1.00 52.31 H new ATOM 0 HD13 ILE A 104 -3.587 1.579 2.047 1.00 52.31 H new ATOM 1579 N GLU A 105 -6.941 3.317 6.277 1.00 61.35 N ATOM 1580 CA GLU A 105 -8.301 3.124 6.742 1.00 62.03 C ATOM 1581 C GLU A 105 -8.823 4.333 7.506 1.00 32.44 C ATOM 1582 O GLU A 105 -9.938 4.800 7.263 1.00 20.33 O ATOM 1583 CB GLU A 105 -8.471 1.837 7.556 1.00 51.12 C ATOM 1584 CG GLU A 105 -7.535 1.697 8.742 1.00 74.31 C ATOM 1585 CD GLU A 105 -7.994 0.642 9.712 1.00 73.31 C ATOM 1586 OE1 GLU A 105 -8.812 -0.213 9.330 1.00 22.21 O ATOM 1587 OE2 GLU A 105 -7.686 0.775 10.913 1.00 63.20 O ATOM 0 H GLU A 105 -6.249 2.710 6.717 1.00 61.35 H new ATOM 0 HA GLU A 105 -8.910 3.014 5.845 1.00 62.03 H new ATOM 0 HB2 GLU A 105 -9.499 1.786 7.916 1.00 51.12 H new ATOM 0 HB3 GLU A 105 -8.323 0.984 6.893 1.00 51.12 H new ATOM 0 HG2 GLU A 105 -6.535 1.449 8.385 1.00 74.31 H new ATOM 0 HG3 GLU A 105 -7.461 2.654 9.258 1.00 74.31 H new ATOM 1594 N GLY A 106 -7.999 4.857 8.397 1.00 63.24 N ATOM 1595 CA GLY A 106 -8.386 5.971 9.225 1.00 62.11 C ATOM 1596 C GLY A 106 -8.638 7.237 8.445 1.00 32.11 C ATOM 1597 O GLY A 106 -9.528 8.007 8.800 1.00 33.21 O ATOM 0 H GLY A 106 -7.050 4.520 8.561 1.00 63.24 H new ATOM 0 HA2 GLY A 106 -9.288 5.708 9.777 1.00 62.11 H new ATOM 0 HA3 GLY A 106 -7.604 6.156 9.961 1.00 62.11 H new ATOM 1601 N ASN A 107 -7.877 7.442 7.373 1.00 1.42 N ATOM 1602 CA ASN A 107 -8.037 8.631 6.517 1.00 45.35 C ATOM 1603 C ASN A 107 -9.423 8.578 5.893 1.00 13.24 C ATOM 1604 O ASN A 107 -10.176 9.550 5.937 1.00 34.13 O ATOM 1605 CB ASN A 107 -6.953 8.609 5.402 1.00 30.31 C ATOM 1606 CG ASN A 107 -6.934 9.822 4.449 1.00 4.55 C ATOM 1607 OD1 ASN A 107 -7.931 10.469 4.198 1.00 74.23 O ATOM 1608 ND2 ASN A 107 -5.771 10.103 3.892 1.00 20.14 N ATOM 0 H ASN A 107 -7.141 6.804 7.070 1.00 1.42 H new ATOM 0 HA ASN A 107 -7.924 9.545 7.100 1.00 45.35 H new ATOM 0 HB2 ASN A 107 -5.975 8.530 5.876 1.00 30.31 H new ATOM 0 HB3 ASN A 107 -7.092 7.707 4.806 1.00 30.31 H new ATOM 0 HD21 ASN A 107 -5.695 10.879 3.234 1.00 20.14 H new ATOM 0 HD22 ASN A 107 -4.948 9.544 4.119 1.00 20.14 H new ATOM 1615 N ILE A 108 -9.788 7.398 5.431 1.00 14.34 N ATOM 1616 CA ILE A 108 -11.083 7.163 4.823 1.00 13.11 C ATOM 1617 C ILE A 108 -12.193 7.343 5.862 1.00 53.31 C ATOM 1618 O ILE A 108 -13.226 7.969 5.590 1.00 14.25 O ATOM 1619 CB ILE A 108 -11.146 5.738 4.221 1.00 25.24 C ATOM 1620 CG1 ILE A 108 -10.028 5.579 3.180 1.00 13.51 C ATOM 1621 CG2 ILE A 108 -12.518 5.457 3.606 1.00 74.34 C ATOM 1622 CD1 ILE A 108 -9.917 4.196 2.591 1.00 63.33 C ATOM 0 H ILE A 108 -9.192 6.571 5.467 1.00 14.34 H new ATOM 0 HA ILE A 108 -11.227 7.887 4.021 1.00 13.11 H new ATOM 0 HB ILE A 108 -10.998 5.008 5.017 1.00 25.24 H new ATOM 0 HG12 ILE A 108 -10.196 6.292 2.373 1.00 13.51 H new ATOM 0 HG13 ILE A 108 -9.077 5.841 3.644 1.00 13.51 H new ATOM 0 HG21 ILE A 108 -12.531 4.449 3.192 1.00 74.34 H new ATOM 0 HG22 ILE A 108 -13.286 5.543 4.375 1.00 74.34 H new ATOM 0 HG23 ILE A 108 -12.716 6.178 2.813 1.00 74.34 H new ATOM 0 HD11 ILE A 108 -9.103 4.173 1.866 1.00 63.33 H new ATOM 0 HD12 ILE A 108 -9.716 3.477 3.385 1.00 63.33 H new ATOM 0 HD13 ILE A 108 -10.852 3.936 2.095 1.00 63.33 H new ATOM 1634 N ARG A 109 -11.958 6.823 7.058 1.00 42.22 N ATOM 1635 CA ARG A 109 -12.917 6.936 8.138 1.00 55.11 C ATOM 1636 C ARG A 109 -13.121 8.372 8.566 1.00 63.33 C ATOM 1637 O ARG A 109 -14.202 8.747 8.974 1.00 53.10 O ATOM 1638 CB ARG A 109 -12.585 6.034 9.329 1.00 41.22 C ATOM 1639 CG ARG A 109 -12.525 4.577 8.932 1.00 12.32 C ATOM 1640 CD ARG A 109 -12.718 3.620 10.098 1.00 32.15 C ATOM 1641 NE ARG A 109 -11.530 3.498 10.931 1.00 13.12 N ATOM 1642 CZ ARG A 109 -10.674 2.462 10.847 1.00 62.54 C ATOM 1643 NH1 ARG A 109 -10.876 1.490 9.934 1.00 14.31 N ATOM 1644 NH2 ARG A 109 -9.621 2.399 11.656 1.00 21.50 N ATOM 0 H ARG A 109 -11.106 6.317 7.302 1.00 42.22 H new ATOM 0 HA ARG A 109 -13.864 6.577 7.736 1.00 55.11 H new ATOM 0 HB2 ARG A 109 -11.628 6.334 9.756 1.00 41.22 H new ATOM 0 HB3 ARG A 109 -13.337 6.168 10.107 1.00 41.22 H new ATOM 0 HG2 ARG A 109 -13.291 4.382 8.182 1.00 12.32 H new ATOM 0 HG3 ARG A 109 -11.562 4.376 8.463 1.00 12.32 H new ATOM 0 HD2 ARG A 109 -13.552 3.964 10.710 1.00 32.15 H new ATOM 0 HD3 ARG A 109 -12.989 2.637 9.714 1.00 32.15 H new ATOM 0 HE ARG A 109 -11.337 4.233 11.611 1.00 13.12 H new ATOM 0 HH11 ARG A 109 -11.678 1.539 9.306 1.00 14.31 H new ATOM 0 HH12 ARG A 109 -10.227 0.706 9.872 1.00 14.31 H new ATOM 0 HH21 ARG A 109 -9.460 3.136 12.342 1.00 21.50 H new ATOM 0 HH22 ARG A 109 -8.974 1.613 11.591 1.00 21.50 H new ATOM 1658 N TYR A 110 -12.085 9.161 8.521 1.00 75.23 N ATOM 1659 CA TYR A 110 -12.243 10.557 8.821 1.00 63.25 C ATOM 1660 C TYR A 110 -12.978 11.269 7.672 1.00 21.05 C ATOM 1661 O TYR A 110 -14.012 11.903 7.888 1.00 31.44 O ATOM 1662 CB TYR A 110 -10.891 11.232 9.113 1.00 21.03 C ATOM 1663 CG TYR A 110 -11.041 12.683 9.498 1.00 73.24 C ATOM 1664 CD1 TYR A 110 -11.341 13.041 10.804 1.00 24.42 C ATOM 1665 CD2 TYR A 110 -10.927 13.692 8.549 1.00 44.13 C ATOM 1666 CE1 TYR A 110 -11.528 14.358 11.153 1.00 50.33 C ATOM 1667 CE2 TYR A 110 -11.100 15.010 8.894 1.00 61.33 C ATOM 1668 CZ TYR A 110 -11.404 15.338 10.196 1.00 11.32 C ATOM 1669 OH TYR A 110 -11.631 16.641 10.527 1.00 60.44 O ATOM 0 H TYR A 110 -11.137 8.869 8.284 1.00 75.23 H new ATOM 0 HA TYR A 110 -12.846 10.640 9.725 1.00 63.25 H new ATOM 0 HB2 TYR A 110 -10.387 10.696 9.918 1.00 21.03 H new ATOM 0 HB3 TYR A 110 -10.253 11.157 8.232 1.00 21.03 H new ATOM 0 HD1 TYR A 110 -11.429 12.273 11.559 1.00 24.42 H new ATOM 0 HD2 TYR A 110 -10.699 13.436 7.525 1.00 44.13 H new ATOM 0 HE1 TYR A 110 -11.771 14.621 12.172 1.00 50.33 H new ATOM 0 HE2 TYR A 110 -10.998 15.785 8.148 1.00 61.33 H new ATOM 0 HH TYR A 110 -11.500 17.207 9.737 1.00 60.44 H new ATOM 1679 N ALA A 111 -12.485 11.063 6.455 1.00 15.52 N ATOM 1680 CA ALA A 111 -12.977 11.755 5.253 1.00 34.33 C ATOM 1681 C ALA A 111 -14.449 11.485 4.943 1.00 73.42 C ATOM 1682 O ALA A 111 -15.091 12.273 4.266 1.00 23.34 O ATOM 1683 CB ALA A 111 -12.113 11.403 4.051 1.00 62.23 C ATOM 0 H ALA A 111 -11.727 10.407 6.266 1.00 15.52 H new ATOM 0 HA ALA A 111 -12.903 12.821 5.467 1.00 34.33 H new ATOM 0 HB1 ALA A 111 -12.488 11.922 3.169 1.00 62.23 H new ATOM 0 HB2 ALA A 111 -11.084 11.708 4.241 1.00 62.23 H new ATOM 0 HB3 ALA A 111 -12.147 10.327 3.881 1.00 62.23 H new ATOM 1689 N ASN A 112 -14.979 10.358 5.398 1.00 53.22 N ATOM 1690 CA ASN A 112 -16.393 10.070 5.143 1.00 33.22 C ATOM 1691 C ASN A 112 -17.316 10.860 6.081 1.00 72.00 C ATOM 1692 O ASN A 112 -18.529 10.870 5.903 1.00 31.50 O ATOM 1693 CB ASN A 112 -16.733 8.543 5.131 1.00 52.01 C ATOM 1694 CG ASN A 112 -17.046 7.874 6.485 1.00 63.12 C ATOM 1695 OD1 ASN A 112 -16.445 8.301 7.550 1.00 23.11 O flip ATOM 1696 ND2 ASN A 112 -17.823 6.933 6.541 1.00 44.11 N flip ATOM 0 H ASN A 112 -14.476 9.647 5.928 1.00 53.22 H new ATOM 0 HA ASN A 112 -16.584 10.416 4.127 1.00 33.22 H new ATOM 0 HB2 ASN A 112 -17.591 8.394 4.476 1.00 52.01 H new ATOM 0 HB3 ASN A 112 -15.893 8.015 4.681 1.00 52.01 H new ATOM 0 HD21 ASN A 112 -18.290 6.606 5.695 1.00 44.11 H new ATOM 0 HD22 ASN A 112 -18.005 6.474 7.434 1.00 44.11 H new