USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 608 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 83 TYR OH : rot -4:sc= 0.359 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= 0.0395 USER MOD Set 2.1: A 84 ASN : amide:sc= 1.08 K(o=2.3,f=-2.3!) USER MOD Set 2.2: A 86 SER OG : rot -93:sc= 1.27 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.262 F(o=-2!,f=-0.26) USER MOD Single : A 51 GLN : amide:sc= -0.148 K(o=-0.15,f=-0.84) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -72:sc= 0.0239 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -174:sc=-0.00525 (180deg=-0.0657) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.56 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.121 F(o=-3.9!,f=-0.12) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= -0.25 (180deg=-1) USER MOD Single : A 85 THR OG1 : rot -73:sc= 0.585 USER MOD Single : A 92 THR OG1 : rot -20:sc= 1.19 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 98 GLN : amide:sc= -1.35! C(o=-1.4!,f=-2.3!) USER MOD Single : A 99 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0194) USER MOD Single : A 100 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 103 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.9!) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 112 LYS NZ :NH3+ 142:sc= 0.577 (180deg=-0.796) USER MOD Single : A 117 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 119 LYS NZ :NH3+ -165:sc= -0.0283 (180deg=-0.262) USER MOD Single : A 121 GLN : amide:sc= -1.58! C(o=-1.6!,f=-5.7!) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 49 -0.906 7.115 12.057 1.00 0.00 N ATOM 2 CA ALA A 49 -1.918 7.870 11.288 1.00 0.00 C ATOM 3 C ALA A 49 -3.012 6.938 10.785 1.00 0.00 C ATOM 4 O ALA A 49 -2.729 5.880 10.220 1.00 0.00 O ATOM 5 CB ALA A 49 -1.265 8.591 10.118 1.00 0.00 C ATOM 0 HA ALA A 49 -2.369 8.610 11.949 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.023 9.142 9.562 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.513 9.285 10.493 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.791 7.862 9.461 1.00 0.00 H new ATOM 13 N ASN A 50 -4.262 7.324 11.005 1.00 0.00 N ATOM 14 CA ASN A 50 -5.400 6.545 10.532 1.00 0.00 C ATOM 15 C ASN A 50 -6.639 7.428 10.482 1.00 0.00 C ATOM 16 O ASN A 50 -7.296 7.525 9.444 1.00 0.00 O ATOM 17 CB ASN A 50 -5.658 5.342 11.454 1.00 0.00 C ATOM 18 CG ASN A 50 -6.587 4.288 10.850 1.00 0.00 C ATOM 19 OD1 ASN A 50 -7.505 4.693 9.980 1.00 0.00 O flip ATOM 20 ND2 ASN A 50 -6.484 3.104 11.175 1.00 0.00 N flip ATOM 0 H ASN A 50 -4.514 8.174 11.509 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.174 6.173 9.533 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.705 4.874 11.700 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.089 5.699 12.389 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.770 2.819 11.846 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.113 2.408 10.773 1.00 0.00 H new ATOM 27 N GLN A 51 -6.948 8.060 11.612 1.00 0.00 N ATOM 28 CA GLN A 51 -8.149 8.884 11.757 1.00 0.00 C ATOM 29 C GLN A 51 -9.412 8.042 11.592 1.00 0.00 C ATOM 30 O GLN A 51 -9.343 6.820 11.434 1.00 0.00 O ATOM 31 CB GLN A 51 -8.156 10.051 10.759 1.00 0.00 C ATOM 32 CG GLN A 51 -7.088 11.093 11.037 1.00 0.00 C ATOM 33 CD GLN A 51 -7.250 11.739 12.398 1.00 0.00 C ATOM 34 OE1 GLN A 51 -8.361 11.859 12.915 1.00 0.00 O ATOM 35 NE2 GLN A 51 -6.146 12.165 12.985 1.00 0.00 N ATOM 0 H GLN A 51 -6.374 8.016 12.454 1.00 0.00 H new ATOM 0 HA GLN A 51 -8.136 9.301 12.764 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -8.015 9.658 9.752 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.135 10.531 10.780 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.105 10.627 10.974 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.126 11.863 10.266 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.244 12.047 12.523 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.195 12.612 13.900 1.00 0.00 H new ATOM 44 N GLN A 52 -10.565 8.685 11.649 1.00 0.00 N ATOM 45 CA GLN A 52 -11.825 7.982 11.482 1.00 0.00 C ATOM 46 C GLN A 52 -12.192 7.900 10.005 1.00 0.00 C ATOM 47 O GLN A 52 -12.150 6.827 9.406 1.00 0.00 O ATOM 48 CB GLN A 52 -12.929 8.675 12.282 1.00 0.00 C ATOM 49 CG GLN A 52 -14.286 8.005 12.154 1.00 0.00 C ATOM 50 CD GLN A 52 -15.256 8.472 13.211 1.00 0.00 C ATOM 51 OE1 GLN A 52 -15.974 9.450 13.029 1.00 0.00 O ATOM 52 NE2 GLN A 52 -15.288 7.762 14.326 1.00 0.00 N ATOM 0 H GLN A 52 -10.655 9.688 11.809 1.00 0.00 H new ATOM 0 HA GLN A 52 -11.716 6.966 11.863 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.643 8.699 13.334 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.012 9.710 11.950 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -14.700 8.212 11.167 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -14.164 6.924 12.228 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -14.673 6.956 14.435 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -15.928 8.021 15.077 1.00 0.00 H new ATOM 61 N THR A 53 -12.532 9.037 9.418 1.00 0.00 N ATOM 62 CA THR A 53 -12.862 9.092 8.006 1.00 0.00 C ATOM 63 C THR A 53 -11.599 9.276 7.171 1.00 0.00 C ATOM 64 O THR A 53 -10.971 10.335 7.206 1.00 0.00 O ATOM 65 CB THR A 53 -13.836 10.244 7.705 1.00 0.00 C ATOM 66 OG1 THR A 53 -14.958 10.183 8.594 1.00 0.00 O ATOM 67 CG2 THR A 53 -14.320 10.172 6.266 1.00 0.00 C ATOM 0 H THR A 53 -12.586 9.934 9.900 1.00 0.00 H new ATOM 0 HA THR A 53 -13.341 8.148 7.745 1.00 0.00 H new ATOM 0 HB THR A 53 -13.309 11.187 7.852 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.572 10.921 8.397 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.008 10.995 6.072 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.467 10.245 5.591 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.833 9.224 6.101 1.00 0.00 H new ATOM 75 N SER A 54 -11.216 8.240 6.446 1.00 0.00 N ATOM 76 CA SER A 54 -10.065 8.319 5.577 1.00 0.00 C ATOM 77 C SER A 54 -10.513 8.568 4.142 1.00 0.00 C ATOM 78 O SER A 54 -10.019 9.476 3.476 1.00 0.00 O ATOM 79 CB SER A 54 -9.252 7.025 5.662 1.00 0.00 C ATOM 80 OG SER A 54 -9.056 6.634 7.014 1.00 0.00 O ATOM 0 H SER A 54 -11.688 7.336 6.445 1.00 0.00 H new ATOM 0 HA SER A 54 -9.435 9.149 5.897 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.768 6.231 5.121 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.286 7.166 5.177 1.00 0.00 H new ATOM 0 HG SER A 54 -8.415 7.240 7.440 1.00 0.00 H new ATOM 86 N GLY A 55 -11.490 7.781 3.696 1.00 0.00 N ATOM 87 CA GLY A 55 -11.908 7.828 2.311 1.00 0.00 C ATOM 88 C GLY A 55 -10.819 7.283 1.421 1.00 0.00 C ATOM 89 O GLY A 55 -10.400 6.136 1.584 1.00 0.00 O ATOM 0 H GLY A 55 -11.998 7.111 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.821 7.247 2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.140 8.855 2.028 1.00 0.00 H new ATOM 93 N LYS A 56 -10.371 8.086 0.473 1.00 0.00 N ATOM 94 CA LYS A 56 -9.149 7.789 -0.237 1.00 0.00 C ATOM 95 C LYS A 56 -7.957 8.271 0.570 1.00 0.00 C ATOM 96 O LYS A 56 -8.049 9.257 1.304 1.00 0.00 O ATOM 97 CB LYS A 56 -9.155 8.414 -1.604 1.00 0.00 C ATOM 98 CG LYS A 56 -9.632 7.429 -2.641 1.00 0.00 C ATOM 99 CD LYS A 56 -11.075 7.032 -2.438 1.00 0.00 C ATOM 100 CE LYS A 56 -11.989 8.153 -2.874 1.00 0.00 C ATOM 101 NZ LYS A 56 -13.369 7.962 -2.366 1.00 0.00 N ATOM 0 H LYS A 56 -10.836 8.945 0.181 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.074 6.709 -0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.802 9.291 -1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.152 8.757 -1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.514 7.865 -3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.005 6.538 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.296 6.130 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.251 6.796 -1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.597 9.104 -2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.006 8.207 -3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.968 8.750 -2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.752 7.066 -2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.356 7.936 -1.326 1.00 0.00 H new ATOM 115 N VAL A 57 -6.841 7.593 0.432 1.00 0.00 N ATOM 116 CA VAL A 57 -5.681 7.892 1.248 1.00 0.00 C ATOM 117 C VAL A 57 -4.762 8.874 0.543 1.00 0.00 C ATOM 118 O VAL A 57 -4.268 8.609 -0.554 1.00 0.00 O ATOM 119 CB VAL A 57 -4.885 6.618 1.584 1.00 0.00 C ATOM 120 CG1 VAL A 57 -3.864 6.891 2.672 1.00 0.00 C ATOM 121 CG2 VAL A 57 -5.818 5.488 1.974 1.00 0.00 C ATOM 0 H VAL A 57 -6.709 6.832 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.049 8.335 2.173 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.343 6.308 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.314 5.976 2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.169 7.660 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.374 7.233 3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.234 4.598 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.398 5.781 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.494 5.272 1.146 1.00 0.00 H new ATOM 131 N LEU A 58 -4.551 10.011 1.185 1.00 0.00 N ATOM 132 CA LEU A 58 -3.665 11.034 0.665 1.00 0.00 C ATOM 133 C LEU A 58 -2.260 10.827 1.212 1.00 0.00 C ATOM 134 O LEU A 58 -2.024 10.978 2.412 1.00 0.00 O ATOM 135 CB LEU A 58 -4.177 12.420 1.062 1.00 0.00 C ATOM 136 CG LEU A 58 -3.340 13.597 0.566 1.00 0.00 C ATOM 137 CD1 LEU A 58 -3.687 13.912 -0.879 1.00 0.00 C ATOM 138 CD2 LEU A 58 -3.559 14.814 1.452 1.00 0.00 C ATOM 0 H LEU A 58 -4.987 10.248 2.076 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.640 10.963 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.193 12.535 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.233 12.470 2.149 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.285 13.326 0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.085 14.753 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.482 13.040 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.744 14.169 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.956 15.644 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.612 15.094 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.266 14.577 2.475 1.00 0.00 H new ATOM 150 N TYR A 59 -1.335 10.471 0.338 1.00 0.00 N ATOM 151 CA TYR A 59 0.047 10.292 0.735 1.00 0.00 C ATOM 152 C TYR A 59 0.910 11.356 0.060 1.00 0.00 C ATOM 153 O TYR A 59 0.966 11.445 -1.168 1.00 0.00 O ATOM 154 CB TYR A 59 0.547 8.871 0.393 1.00 0.00 C ATOM 155 CG TYR A 59 0.982 8.678 -1.046 1.00 0.00 C ATOM 156 CD1 TYR A 59 0.056 8.621 -2.078 1.00 0.00 C ATOM 157 CD2 TYR A 59 2.330 8.578 -1.367 1.00 0.00 C ATOM 158 CE1 TYR A 59 0.462 8.472 -3.389 1.00 0.00 C ATOM 159 CE2 TYR A 59 2.744 8.424 -2.676 1.00 0.00 C ATOM 160 CZ TYR A 59 1.806 8.374 -3.683 1.00 0.00 C ATOM 161 OH TYR A 59 2.210 8.229 -4.988 1.00 0.00 O ATOM 0 H TYR A 59 -1.518 10.301 -0.651 1.00 0.00 H new ATOM 0 HA TYR A 59 0.122 10.407 1.816 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.385 8.629 1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.247 8.158 0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.998 8.694 -1.852 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.067 8.621 -0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.270 8.432 -4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.796 8.343 -2.908 1.00 0.00 H new ATOM 0 HH TYR A 59 3.188 8.176 -5.024 1.00 0.00 H new ATOM 171 N GLU A 60 1.518 12.205 0.877 1.00 0.00 N ATOM 172 CA GLU A 60 2.478 13.213 0.415 1.00 0.00 C ATOM 173 C GLU A 60 1.879 14.199 -0.599 1.00 0.00 C ATOM 174 O GLU A 60 2.594 15.034 -1.152 1.00 0.00 O ATOM 175 CB GLU A 60 3.704 12.528 -0.178 1.00 0.00 C ATOM 176 CG GLU A 60 4.339 11.528 0.771 1.00 0.00 C ATOM 177 CD GLU A 60 4.868 12.171 2.038 1.00 0.00 C ATOM 178 OE1 GLU A 60 4.068 12.386 2.977 1.00 0.00 O ATOM 179 OE2 GLU A 60 6.080 12.454 2.106 1.00 0.00 O ATOM 0 H GLU A 60 1.362 12.219 1.885 1.00 0.00 H new ATOM 0 HA GLU A 60 2.764 13.801 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.419 12.018 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.441 13.284 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.604 10.768 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.156 11.018 0.260 1.00 0.00 H new ATOM 186 N GLY A 61 0.576 14.098 -0.843 1.00 0.00 N ATOM 187 CA GLY A 61 -0.084 15.010 -1.759 1.00 0.00 C ATOM 188 C GLY A 61 -0.900 14.302 -2.829 1.00 0.00 C ATOM 189 O GLY A 61 -1.720 14.927 -3.500 1.00 0.00 O ATOM 0 H GLY A 61 -0.036 13.399 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.738 15.673 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.667 15.637 -2.240 1.00 0.00 H new ATOM 193 N LYS A 62 -0.683 13.001 -2.997 1.00 0.00 N ATOM 194 CA LYS A 62 -1.441 12.225 -3.978 1.00 0.00 C ATOM 195 C LYS A 62 -2.496 11.386 -3.276 1.00 0.00 C ATOM 196 O LYS A 62 -2.315 10.990 -2.132 1.00 0.00 O ATOM 197 CB LYS A 62 -0.518 11.301 -4.769 1.00 0.00 C ATOM 198 CG LYS A 62 -1.127 10.795 -6.067 1.00 0.00 C ATOM 199 CD LYS A 62 -0.232 9.775 -6.752 1.00 0.00 C ATOM 200 CE LYS A 62 1.161 10.328 -7.028 1.00 0.00 C ATOM 201 NZ LYS A 62 1.125 11.552 -7.869 1.00 0.00 N ATOM 0 H LYS A 62 0.006 12.463 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.919 12.924 -4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.407 11.832 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.252 10.447 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.099 10.346 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.300 11.636 -6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.151 8.886 -6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.690 9.464 -7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.654 10.554 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.760 9.565 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.096 11.833 -8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.590 11.359 -8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.664 12.322 -7.342 1.00 0.00 H new ATOM 215 N GLU A 63 -3.590 11.111 -3.961 1.00 0.00 N ATOM 216 CA GLU A 63 -4.649 10.289 -3.392 1.00 0.00 C ATOM 217 C GLU A 63 -4.685 8.919 -4.049 1.00 0.00 C ATOM 218 O GLU A 63 -4.494 8.789 -5.257 1.00 0.00 O ATOM 219 CB GLU A 63 -6.010 10.965 -3.539 1.00 0.00 C ATOM 220 CG GLU A 63 -6.204 12.162 -2.628 1.00 0.00 C ATOM 221 CD GLU A 63 -7.608 12.715 -2.710 1.00 0.00 C ATOM 222 OE1 GLU A 63 -7.854 13.600 -3.556 1.00 0.00 O ATOM 223 OE2 GLU A 63 -8.477 12.258 -1.946 1.00 0.00 O ATOM 0 H GLU A 63 -3.771 11.442 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.432 10.167 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.136 11.284 -4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.792 10.234 -3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.988 11.873 -1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.491 12.941 -2.897 1.00 0.00 H new ATOM 230 N PHE A 64 -4.915 7.899 -3.238 1.00 0.00 N ATOM 231 CA PHE A 64 -5.037 6.534 -3.720 1.00 0.00 C ATOM 232 C PHE A 64 -6.143 5.808 -2.973 1.00 0.00 C ATOM 233 O PHE A 64 -6.687 6.348 -2.011 1.00 0.00 O ATOM 234 CB PHE A 64 -3.716 5.789 -3.548 1.00 0.00 C ATOM 235 CG PHE A 64 -3.034 5.493 -4.853 1.00 0.00 C ATOM 236 CD1 PHE A 64 -3.467 4.452 -5.657 1.00 0.00 C ATOM 237 CD2 PHE A 64 -1.966 6.264 -5.280 1.00 0.00 C ATOM 238 CE1 PHE A 64 -2.848 4.185 -6.862 1.00 0.00 C ATOM 239 CE2 PHE A 64 -1.342 6.001 -6.484 1.00 0.00 C ATOM 240 CZ PHE A 64 -1.783 4.960 -7.275 1.00 0.00 C ATOM 0 H PHE A 64 -5.022 7.994 -2.228 1.00 0.00 H new ATOM 0 HA PHE A 64 -5.288 6.564 -4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.049 6.383 -2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.899 4.853 -3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.299 3.842 -5.338 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.617 7.080 -4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.197 3.371 -7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.510 6.610 -6.806 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.296 4.752 -8.216 1.00 0.00 H new ATOM 250 N ASP A 65 -6.462 4.589 -3.403 1.00 0.00 N ATOM 251 CA ASP A 65 -7.501 3.795 -2.744 1.00 0.00 C ATOM 252 C ASP A 65 -7.133 3.593 -1.282 1.00 0.00 C ATOM 253 O ASP A 65 -7.777 4.121 -0.378 1.00 0.00 O ATOM 254 CB ASP A 65 -7.660 2.416 -3.411 1.00 0.00 C ATOM 255 CG ASP A 65 -8.780 2.331 -4.434 1.00 0.00 C ATOM 256 OD1 ASP A 65 -9.832 2.979 -4.242 1.00 0.00 O ATOM 257 OD2 ASP A 65 -8.627 1.571 -5.416 1.00 0.00 O ATOM 0 H ASP A 65 -6.020 4.130 -4.200 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.444 4.335 -2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.721 2.153 -3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.837 1.671 -2.636 1.00 0.00 H new ATOM 262 N TYR A 66 -6.069 2.832 -1.075 1.00 0.00 N ATOM 263 CA TYR A 66 -5.543 2.566 0.253 1.00 0.00 C ATOM 264 C TYR A 66 -4.025 2.553 0.197 1.00 0.00 C ATOM 265 O TYR A 66 -3.452 1.828 -0.603 1.00 0.00 O ATOM 266 CB TYR A 66 -6.037 1.212 0.772 1.00 0.00 C ATOM 267 CG TYR A 66 -7.534 1.128 0.980 1.00 0.00 C ATOM 268 CD1 TYR A 66 -8.123 1.603 2.145 1.00 0.00 C ATOM 269 CD2 TYR A 66 -8.354 0.563 0.012 1.00 0.00 C ATOM 270 CE1 TYR A 66 -9.489 1.515 2.338 1.00 0.00 C ATOM 271 CE2 TYR A 66 -9.719 0.474 0.197 1.00 0.00 C ATOM 272 CZ TYR A 66 -10.280 0.951 1.361 1.00 0.00 C ATOM 273 OH TYR A 66 -11.643 0.854 1.553 1.00 0.00 O ATOM 0 H TYR A 66 -5.546 2.381 -1.826 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.890 3.348 0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.737 0.436 0.068 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.539 0.996 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.505 2.047 2.911 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.916 0.187 -0.901 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.934 1.886 3.249 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.343 0.033 -0.566 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.055 0.433 0.769 1.00 0.00 H new ATOM 283 N VAL A 67 -3.367 3.362 1.010 1.00 0.00 N ATOM 284 CA VAL A 67 -1.917 3.303 1.078 1.00 0.00 C ATOM 285 C VAL A 67 -1.480 2.841 2.460 1.00 0.00 C ATOM 286 O VAL A 67 -2.151 3.105 3.460 1.00 0.00 O ATOM 287 CB VAL A 67 -1.218 4.645 0.728 1.00 0.00 C ATOM 288 CG1 VAL A 67 -2.033 5.448 -0.272 1.00 0.00 C ATOM 289 CG2 VAL A 67 -0.896 5.471 1.967 1.00 0.00 C ATOM 0 H VAL A 67 -3.802 4.054 1.620 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.606 2.586 0.319 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.266 4.391 0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.517 6.381 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.155 4.871 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.013 5.668 0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.408 6.399 1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.818 5.701 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.231 4.905 2.619 1.00 0.00 H new ATOM 299 N PHE A 68 -0.373 2.132 2.501 1.00 0.00 N ATOM 300 CA PHE A 68 0.196 1.677 3.754 1.00 0.00 C ATOM 301 C PHE A 68 1.248 2.673 4.218 1.00 0.00 C ATOM 302 O PHE A 68 1.865 3.356 3.405 1.00 0.00 O ATOM 303 CB PHE A 68 0.806 0.285 3.573 1.00 0.00 C ATOM 304 CG PHE A 68 1.483 -0.270 4.797 1.00 0.00 C ATOM 305 CD1 PHE A 68 0.857 -0.249 6.034 1.00 0.00 C ATOM 306 CD2 PHE A 68 2.750 -0.811 4.702 1.00 0.00 C ATOM 307 CE1 PHE A 68 1.488 -0.758 7.153 1.00 0.00 C ATOM 308 CE2 PHE A 68 3.387 -1.323 5.817 1.00 0.00 C ATOM 309 CZ PHE A 68 2.754 -1.297 7.045 1.00 0.00 C ATOM 0 H PHE A 68 0.156 1.855 1.674 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.584 1.611 4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.019 -0.404 3.266 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.531 0.324 2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.134 0.170 6.124 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.249 -0.834 3.745 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.991 -0.734 8.111 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.378 -1.743 5.728 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.248 -1.697 7.918 1.00 0.00 H new ATOM 319 N SER A 69 1.438 2.758 5.515 1.00 0.00 N ATOM 320 CA SER A 69 2.411 3.674 6.080 1.00 0.00 C ATOM 321 C SER A 69 3.642 2.898 6.528 1.00 0.00 C ATOM 322 O SER A 69 3.565 2.039 7.407 1.00 0.00 O ATOM 323 CB SER A 69 1.789 4.436 7.249 1.00 0.00 C ATOM 324 OG SER A 69 0.591 5.084 6.851 1.00 0.00 O ATOM 0 H SER A 69 0.931 2.203 6.204 1.00 0.00 H new ATOM 0 HA SER A 69 2.715 4.398 5.324 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.580 3.747 8.067 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.498 5.173 7.626 1.00 0.00 H new ATOM 0 HG SER A 69 0.209 5.564 7.615 1.00 0.00 H new ATOM 330 N ILE A 70 4.770 3.213 5.922 1.00 0.00 N ATOM 331 CA ILE A 70 6.003 2.481 6.148 1.00 0.00 C ATOM 332 C ILE A 70 7.056 3.394 6.761 1.00 0.00 C ATOM 333 O ILE A 70 7.505 4.353 6.131 1.00 0.00 O ATOM 334 CB ILE A 70 6.533 1.920 4.807 1.00 0.00 C ATOM 335 CG1 ILE A 70 5.446 1.093 4.116 1.00 0.00 C ATOM 336 CG2 ILE A 70 7.799 1.102 5.017 1.00 0.00 C ATOM 337 CD1 ILE A 70 5.857 0.527 2.777 1.00 0.00 C ATOM 0 H ILE A 70 4.859 3.983 5.259 1.00 0.00 H new ATOM 0 HA ILE A 70 5.798 1.660 6.835 1.00 0.00 H new ATOM 0 HB ILE A 70 6.792 2.758 4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.158 0.272 4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.563 1.717 3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.149 0.720 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.570 1.732 5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.586 0.267 5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.031 -0.045 2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.117 1.342 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.721 -0.125 2.907 1.00 0.00 H new ATOM 349 N ASP A 71 7.452 3.110 7.989 1.00 0.00 N ATOM 350 CA ASP A 71 8.470 3.917 8.635 1.00 0.00 C ATOM 351 C ASP A 71 9.804 3.190 8.646 1.00 0.00 C ATOM 352 O ASP A 71 9.928 2.113 9.227 1.00 0.00 O ATOM 353 CB ASP A 71 8.049 4.267 10.059 1.00 0.00 C ATOM 354 CG ASP A 71 8.634 5.585 10.518 1.00 0.00 C ATOM 355 OD1 ASP A 71 9.811 5.614 10.921 1.00 0.00 O ATOM 356 OD2 ASP A 71 7.908 6.603 10.467 1.00 0.00 O ATOM 0 H ASP A 71 7.091 2.339 8.551 1.00 0.00 H new ATOM 0 HA ASP A 71 8.584 4.840 8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.961 4.315 10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.367 3.474 10.736 1.00 0.00 H new ATOM 361 N VAL A 72 10.797 3.774 7.996 1.00 0.00 N ATOM 362 CA VAL A 72 12.144 3.222 8.010 1.00 0.00 C ATOM 363 C VAL A 72 13.064 4.062 8.889 1.00 0.00 C ATOM 364 O VAL A 72 13.874 3.531 9.647 1.00 0.00 O ATOM 365 CB VAL A 72 12.720 3.110 6.579 1.00 0.00 C ATOM 366 CG1 VAL A 72 14.212 2.809 6.604 1.00 0.00 C ATOM 367 CG2 VAL A 72 11.982 2.030 5.801 1.00 0.00 C ATOM 0 H VAL A 72 10.697 4.631 7.451 1.00 0.00 H new ATOM 0 HA VAL A 72 12.085 2.218 8.430 1.00 0.00 H new ATOM 0 HB VAL A 72 12.579 4.071 6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 72 14.586 2.737 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.736 3.610 7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 72 14.384 1.865 7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.395 1.960 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.098 1.072 6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.924 2.284 5.741 1.00 0.00 H new ATOM 377 N ASN A 73 12.918 5.375 8.804 1.00 0.00 N ATOM 378 CA ASN A 73 13.750 6.285 9.574 1.00 0.00 C ATOM 379 C ASN A 73 12.869 7.288 10.301 1.00 0.00 C ATOM 380 O ASN A 73 12.122 8.043 9.674 1.00 0.00 O ATOM 381 CB ASN A 73 14.736 7.019 8.656 1.00 0.00 C ATOM 382 CG ASN A 73 15.910 7.653 9.394 1.00 0.00 C ATOM 383 OD1 ASN A 73 15.716 8.041 10.645 1.00 0.00 O flip ATOM 384 ND2 ASN A 73 16.996 7.796 8.833 1.00 0.00 N flip ATOM 0 H ASN A 73 12.230 5.835 8.208 1.00 0.00 H new ATOM 0 HA ASN A 73 14.321 5.710 10.303 1.00 0.00 H new ATOM 0 HB2 ASN A 73 15.121 6.317 7.916 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.200 7.796 8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 73 17.116 7.487 7.868 1.00 0.00 H new ATOM 0 HD22 ASN A 73 17.776 8.223 9.333 1.00 0.00 H new ATOM 391 N GLU A 74 12.957 7.284 11.621 1.00 0.00 N ATOM 392 CA GLU A 74 12.179 8.195 12.447 1.00 0.00 C ATOM 393 C GLU A 74 12.579 9.639 12.173 1.00 0.00 C ATOM 394 O GLU A 74 13.760 9.987 12.215 1.00 0.00 O ATOM 395 CB GLU A 74 12.378 7.865 13.925 1.00 0.00 C ATOM 396 CG GLU A 74 12.028 6.429 14.276 1.00 0.00 C ATOM 397 CD GLU A 74 12.380 6.078 15.704 1.00 0.00 C ATOM 398 OE1 GLU A 74 11.567 6.350 16.608 1.00 0.00 O ATOM 399 OE2 GLU A 74 13.479 5.529 15.932 1.00 0.00 O ATOM 0 H GLU A 74 13.564 6.655 12.147 1.00 0.00 H new ATOM 0 HA GLU A 74 11.125 8.075 12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.417 8.054 14.195 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.765 8.537 14.525 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.961 6.270 14.119 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.554 5.755 13.600 1.00 0.00 H new ATOM 406 N GLY A 75 11.592 10.468 11.869 1.00 0.00 N ATOM 407 CA GLY A 75 11.857 11.858 11.566 1.00 0.00 C ATOM 408 C GLY A 75 11.920 12.112 10.075 1.00 0.00 C ATOM 409 O GLY A 75 11.782 13.251 9.624 1.00 0.00 O ATOM 0 H GLY A 75 10.608 10.201 11.827 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.078 12.480 12.007 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.800 12.155 12.024 1.00 0.00 H new ATOM 413 N GLY A 76 12.118 11.052 9.305 1.00 0.00 N ATOM 414 CA GLY A 76 12.196 11.188 7.867 1.00 0.00 C ATOM 415 C GLY A 76 13.326 10.369 7.273 1.00 0.00 C ATOM 416 O GLY A 76 14.350 10.165 7.924 1.00 0.00 O ATOM 0 H GLY A 76 12.226 10.099 9.652 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.251 10.876 7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.337 12.238 7.610 1.00 0.00 H new ATOM 420 N PRO A 77 13.170 9.888 6.032 1.00 0.00 N ATOM 421 CA PRO A 77 11.965 10.113 5.236 1.00 0.00 C ATOM 422 C PRO A 77 10.862 9.109 5.561 1.00 0.00 C ATOM 423 O PRO A 77 11.121 8.042 6.121 1.00 0.00 O ATOM 424 CB PRO A 77 12.471 9.907 3.813 1.00 0.00 C ATOM 425 CG PRO A 77 13.526 8.864 3.947 1.00 0.00 C ATOM 426 CD PRO A 77 14.167 9.083 5.295 1.00 0.00 C ATOM 0 HA PRO A 77 11.517 11.090 5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.670 9.581 3.149 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.874 10.830 3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 77 13.096 7.865 3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 77 14.262 8.950 3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 77 14.371 8.138 5.799 1.00 0.00 H new ATOM 0 HD3 PRO A 77 15.118 9.608 5.205 1.00 0.00 H new ATOM 434 N SER A 78 9.636 9.456 5.217 1.00 0.00 N ATOM 435 CA SER A 78 8.510 8.573 5.447 1.00 0.00 C ATOM 436 C SER A 78 8.126 7.887 4.143 1.00 0.00 C ATOM 437 O SER A 78 8.017 8.532 3.100 1.00 0.00 O ATOM 438 CB SER A 78 7.322 9.358 6.018 1.00 0.00 C ATOM 439 OG SER A 78 6.269 8.494 6.420 1.00 0.00 O ATOM 0 H SER A 78 9.395 10.344 4.777 1.00 0.00 H new ATOM 0 HA SER A 78 8.793 7.813 6.176 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.653 9.950 6.871 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.953 10.058 5.268 1.00 0.00 H new ATOM 0 HG SER A 78 5.529 9.026 6.780 1.00 0.00 H new ATOM 445 N TYR A 79 7.937 6.583 4.201 1.00 0.00 N ATOM 446 CA TYR A 79 7.589 5.818 3.022 1.00 0.00 C ATOM 447 C TYR A 79 6.128 5.421 3.088 1.00 0.00 C ATOM 448 O TYR A 79 5.640 5.038 4.140 1.00 0.00 O ATOM 449 CB TYR A 79 8.464 4.569 2.929 1.00 0.00 C ATOM 450 CG TYR A 79 9.929 4.861 2.706 1.00 0.00 C ATOM 451 CD1 TYR A 79 10.357 5.654 1.647 1.00 0.00 C ATOM 452 CD2 TYR A 79 10.883 4.333 3.554 1.00 0.00 C ATOM 453 CE1 TYR A 79 11.700 5.908 1.445 1.00 0.00 C ATOM 454 CE2 TYR A 79 12.228 4.578 3.358 1.00 0.00 C ATOM 455 CZ TYR A 79 12.633 5.366 2.305 1.00 0.00 C ATOM 456 OH TYR A 79 13.974 5.599 2.104 1.00 0.00 O ATOM 0 H TYR A 79 8.019 6.031 5.055 1.00 0.00 H new ATOM 0 HA TYR A 79 7.757 6.431 2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.355 3.992 3.847 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.101 3.943 2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.628 6.078 0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.572 3.718 4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.018 6.527 0.619 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.960 4.153 4.029 1.00 0.00 H new ATOM 0 HH TYR A 79 14.493 5.145 2.801 1.00 0.00 H new ATOM 466 N LYS A 80 5.424 5.535 1.981 1.00 0.00 N ATOM 467 CA LYS A 80 4.026 5.145 1.937 1.00 0.00 C ATOM 468 C LYS A 80 3.801 4.248 0.728 1.00 0.00 C ATOM 469 O LYS A 80 4.398 4.464 -0.325 1.00 0.00 O ATOM 470 CB LYS A 80 3.102 6.376 1.879 1.00 0.00 C ATOM 471 CG LYS A 80 3.390 7.425 2.951 1.00 0.00 C ATOM 472 CD LYS A 80 3.277 6.853 4.361 1.00 0.00 C ATOM 473 CE LYS A 80 1.941 7.172 5.015 1.00 0.00 C ATOM 474 NZ LYS A 80 1.670 8.633 5.051 1.00 0.00 N ATOM 0 H LYS A 80 5.794 5.893 1.101 1.00 0.00 H new ATOM 0 HA LYS A 80 3.781 4.601 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.195 6.841 0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.068 6.045 1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.392 7.828 2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.693 8.256 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.410 5.772 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.083 7.251 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.142 6.669 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.932 6.777 6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.058 8.853 5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.567 9.150 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.195 8.920 4.171 1.00 0.00 H new ATOM 488 N LEU A 81 2.956 3.243 0.884 1.00 0.00 N ATOM 489 CA LEU A 81 2.721 2.265 -0.170 1.00 0.00 C ATOM 490 C LEU A 81 1.299 2.415 -0.704 1.00 0.00 C ATOM 491 O LEU A 81 0.367 1.822 -0.167 1.00 0.00 O ATOM 492 CB LEU A 81 2.914 0.844 0.376 1.00 0.00 C ATOM 493 CG LEU A 81 3.284 -0.241 -0.645 1.00 0.00 C ATOM 494 CD1 LEU A 81 2.517 -1.506 -0.345 1.00 0.00 C ATOM 495 CD2 LEU A 81 3.012 0.200 -2.076 1.00 0.00 C ATOM 0 H LEU A 81 2.417 3.081 1.735 1.00 0.00 H new ATOM 0 HA LEU A 81 3.434 2.438 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.693 0.875 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.993 0.543 0.874 1.00 0.00 H new ATOM 0 HG LEU A 81 4.355 -0.424 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.782 -2.274 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.767 -1.854 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.447 -1.305 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.289 -0.600 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.952 0.426 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.600 1.090 -2.300 1.00 0.00 H new ATOM 507 N PRO A 82 1.116 3.219 -1.756 1.00 0.00 N ATOM 508 CA PRO A 82 -0.190 3.418 -2.386 1.00 0.00 C ATOM 509 C PRO A 82 -0.679 2.174 -3.107 1.00 0.00 C ATOM 510 O PRO A 82 0.085 1.510 -3.803 1.00 0.00 O ATOM 511 CB PRO A 82 0.065 4.532 -3.399 1.00 0.00 C ATOM 512 CG PRO A 82 1.345 5.147 -2.974 1.00 0.00 C ATOM 513 CD PRO A 82 2.150 4.015 -2.419 1.00 0.00 C ATOM 0 HA PRO A 82 -0.958 3.653 -1.649 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.134 4.137 -4.412 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.744 5.262 -3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.854 5.620 -3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.182 5.921 -2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.662 3.454 -3.201 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.914 4.358 -1.721 1.00 0.00 H new ATOM 521 N TYR A 83 -1.954 1.878 -2.950 1.00 0.00 N ATOM 522 CA TYR A 83 -2.539 0.701 -3.548 1.00 0.00 C ATOM 523 C TYR A 83 -3.884 1.039 -4.165 1.00 0.00 C ATOM 524 O TYR A 83 -4.745 1.622 -3.506 1.00 0.00 O ATOM 525 CB TYR A 83 -2.707 -0.399 -2.491 1.00 0.00 C ATOM 526 CG TYR A 83 -3.538 -1.573 -2.955 1.00 0.00 C ATOM 527 CD1 TYR A 83 -3.201 -2.271 -4.102 1.00 0.00 C ATOM 528 CD2 TYR A 83 -4.660 -1.982 -2.243 1.00 0.00 C ATOM 529 CE1 TYR A 83 -3.955 -3.342 -4.534 1.00 0.00 C ATOM 530 CE2 TYR A 83 -5.421 -3.056 -2.668 1.00 0.00 C ATOM 531 CZ TYR A 83 -5.065 -3.731 -3.815 1.00 0.00 C ATOM 532 OH TYR A 83 -5.816 -4.801 -4.244 1.00 0.00 O ATOM 0 H TYR A 83 -2.607 2.444 -2.408 1.00 0.00 H new ATOM 0 HA TYR A 83 -1.874 0.339 -4.332 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.721 -0.759 -2.195 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -3.169 0.032 -1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.332 -1.971 -4.669 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.942 -1.453 -1.344 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.677 -3.874 -5.432 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -6.289 -3.364 -2.104 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.465 -5.125 -5.100 1.00 0.00 H new ATOM 542 N ASN A 84 -4.045 0.707 -5.435 1.00 0.00 N ATOM 543 CA ASN A 84 -5.346 0.775 -6.072 1.00 0.00 C ATOM 544 C ASN A 84 -5.915 -0.627 -6.120 1.00 0.00 C ATOM 545 O ASN A 84 -5.240 -1.561 -6.543 1.00 0.00 O ATOM 546 CB ASN A 84 -5.261 1.346 -7.485 1.00 0.00 C ATOM 547 CG ASN A 84 -6.632 1.636 -8.065 1.00 0.00 C ATOM 548 OD1 ASN A 84 -7.277 0.753 -8.628 1.00 0.00 O ATOM 549 ND2 ASN A 84 -7.082 2.877 -7.944 1.00 0.00 N ATOM 0 H ASN A 84 -3.291 0.388 -6.043 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.988 1.441 -5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.672 2.263 -7.470 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.736 0.641 -8.130 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.994 3.128 -8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.516 3.581 -7.470 1.00 0.00 H new ATOM 556 N THR A 85 -7.156 -0.756 -5.716 1.00 0.00 N ATOM 557 CA THR A 85 -7.748 -2.059 -5.426 1.00 0.00 C ATOM 558 C THR A 85 -7.900 -2.951 -6.665 1.00 0.00 C ATOM 559 O THR A 85 -8.214 -4.133 -6.553 1.00 0.00 O ATOM 560 CB THR A 85 -9.099 -1.887 -4.717 1.00 0.00 C ATOM 561 OG1 THR A 85 -9.933 -0.985 -5.459 1.00 0.00 O ATOM 562 CG2 THR A 85 -8.880 -1.334 -3.322 1.00 0.00 C ATOM 0 H THR A 85 -7.790 0.031 -5.576 1.00 0.00 H new ATOM 0 HA THR A 85 -7.051 -2.573 -4.764 1.00 0.00 H new ATOM 0 HB THR A 85 -9.588 -2.859 -4.652 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.602 -0.069 -5.350 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.842 -1.214 -2.823 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.259 -2.024 -2.751 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.382 -0.367 -3.388 1.00 0.00 H new ATOM 570 N SER A 86 -7.683 -2.383 -7.841 1.00 0.00 N ATOM 571 CA SER A 86 -7.779 -3.147 -9.081 1.00 0.00 C ATOM 572 C SER A 86 -6.462 -3.861 -9.409 1.00 0.00 C ATOM 573 O SER A 86 -6.398 -4.673 -10.334 1.00 0.00 O ATOM 574 CB SER A 86 -8.174 -2.225 -10.235 1.00 0.00 C ATOM 575 OG SER A 86 -7.226 -1.184 -10.407 1.00 0.00 O ATOM 0 H SER A 86 -7.440 -1.400 -7.966 1.00 0.00 H new ATOM 0 HA SER A 86 -8.547 -3.909 -8.944 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.254 -2.804 -11.155 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.157 -1.797 -10.042 1.00 0.00 H new ATOM 0 HG SER A 86 -7.506 -0.398 -9.892 1.00 0.00 H new ATOM 581 N ASP A 87 -5.416 -3.558 -8.651 1.00 0.00 N ATOM 582 CA ASP A 87 -4.091 -4.114 -8.919 1.00 0.00 C ATOM 583 C ASP A 87 -3.760 -5.217 -7.914 1.00 0.00 C ATOM 584 O ASP A 87 -4.318 -5.260 -6.818 1.00 0.00 O ATOM 585 CB ASP A 87 -3.032 -2.998 -8.863 1.00 0.00 C ATOM 586 CG ASP A 87 -1.696 -3.406 -9.465 1.00 0.00 C ATOM 587 OD1 ASP A 87 -1.632 -3.613 -10.695 1.00 0.00 O ATOM 588 OD2 ASP A 87 -0.699 -3.500 -8.719 1.00 0.00 O ATOM 0 H ASP A 87 -5.457 -2.932 -7.847 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.089 -4.551 -9.918 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.409 -2.122 -9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.880 -2.703 -7.825 1.00 0.00 H new ATOM 593 N ASP A 88 -2.866 -6.115 -8.302 1.00 0.00 N ATOM 594 CA ASP A 88 -2.448 -7.211 -7.434 1.00 0.00 C ATOM 595 C ASP A 88 -1.413 -6.725 -6.437 1.00 0.00 C ATOM 596 O ASP A 88 -0.580 -5.887 -6.767 1.00 0.00 O ATOM 597 CB ASP A 88 -1.874 -8.361 -8.258 1.00 0.00 C ATOM 598 CG ASP A 88 -2.938 -9.086 -9.056 1.00 0.00 C ATOM 599 OD1 ASP A 88 -3.258 -8.640 -10.175 1.00 0.00 O ATOM 600 OD2 ASP A 88 -3.462 -10.110 -8.568 1.00 0.00 O ATOM 0 H ASP A 88 -2.413 -6.107 -9.216 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.323 -7.572 -6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.115 -7.974 -8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.377 -9.068 -7.594 1.00 0.00 H new ATOM 605 N PRO A 89 -1.425 -7.266 -5.212 1.00 0.00 N ATOM 606 CA PRO A 89 -0.567 -6.783 -4.134 1.00 0.00 C ATOM 607 C PRO A 89 0.895 -6.976 -4.433 1.00 0.00 C ATOM 608 O PRO A 89 1.706 -6.097 -4.164 1.00 0.00 O ATOM 609 CB PRO A 89 -0.966 -7.620 -2.922 1.00 0.00 C ATOM 610 CG PRO A 89 -2.270 -8.236 -3.282 1.00 0.00 C ATOM 611 CD PRO A 89 -2.251 -8.397 -4.775 1.00 0.00 C ATOM 0 HA PRO A 89 -0.697 -5.712 -3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.217 -8.382 -2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.057 -7.001 -2.029 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.397 -9.199 -2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.101 -7.604 -2.968 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.820 -9.352 -5.074 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.254 -8.354 -5.200 1.00 0.00 H new ATOM 619 N TRP A 90 1.235 -8.124 -4.991 1.00 0.00 N ATOM 620 CA TRP A 90 2.620 -8.387 -5.335 1.00 0.00 C ATOM 621 C TRP A 90 3.075 -7.415 -6.419 1.00 0.00 C ATOM 622 O TRP A 90 4.232 -7.019 -6.457 1.00 0.00 O ATOM 623 CB TRP A 90 2.833 -9.851 -5.757 1.00 0.00 C ATOM 624 CG TRP A 90 2.203 -10.240 -7.064 1.00 0.00 C ATOM 625 CD1 TRP A 90 0.869 -10.332 -7.344 1.00 0.00 C ATOM 626 CD2 TRP A 90 2.891 -10.625 -8.261 1.00 0.00 C ATOM 627 NE1 TRP A 90 0.687 -10.731 -8.647 1.00 0.00 N ATOM 628 CE2 TRP A 90 1.913 -10.918 -9.228 1.00 0.00 C ATOM 629 CE3 TRP A 90 4.239 -10.738 -8.610 1.00 0.00 C ATOM 630 CZ2 TRP A 90 2.239 -11.326 -10.519 1.00 0.00 C ATOM 631 CZ3 TRP A 90 4.562 -11.143 -9.892 1.00 0.00 C ATOM 632 CH2 TRP A 90 3.565 -11.428 -10.834 1.00 0.00 C ATOM 0 H TRP A 90 0.584 -8.877 -5.212 1.00 0.00 H new ATOM 0 HA TRP A 90 3.234 -8.229 -4.448 1.00 0.00 H new ATOM 0 HB2 TRP A 90 3.904 -10.042 -5.818 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.437 -10.499 -4.975 1.00 0.00 H new ATOM 0 HD1 TRP A 90 0.074 -10.122 -6.644 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -0.214 -10.866 -9.106 1.00 0.00 H new ATOM 0 HE3 TRP A 90 5.014 -10.513 -7.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 1.472 -11.553 -11.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.600 -11.241 -10.172 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.850 -11.735 -11.830 1.00 0.00 H new ATOM 643 N LEU A 91 2.148 -7.019 -7.281 1.00 0.00 N ATOM 644 CA LEU A 91 2.428 -6.031 -8.314 1.00 0.00 C ATOM 645 C LEU A 91 2.534 -4.625 -7.726 1.00 0.00 C ATOM 646 O LEU A 91 3.451 -3.873 -8.050 1.00 0.00 O ATOM 647 CB LEU A 91 1.330 -6.061 -9.374 1.00 0.00 C ATOM 648 CG LEU A 91 1.197 -7.375 -10.137 1.00 0.00 C ATOM 649 CD1 LEU A 91 0.096 -7.282 -11.171 1.00 0.00 C ATOM 650 CD2 LEU A 91 2.516 -7.734 -10.789 1.00 0.00 C ATOM 0 H LEU A 91 1.190 -7.369 -7.285 1.00 0.00 H new ATOM 0 HA LEU A 91 3.386 -6.284 -8.769 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.377 -5.841 -8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.517 -5.261 -10.090 1.00 0.00 H new ATOM 0 HG LEU A 91 0.932 -8.163 -9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.017 -8.229 -11.705 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.850 -7.064 -10.676 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.327 -6.485 -11.878 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.410 -8.674 -11.331 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.805 -6.945 -11.483 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.283 -7.842 -10.022 1.00 0.00 H new ATOM 662 N THR A 92 1.586 -4.273 -6.865 1.00 0.00 N ATOM 663 CA THR A 92 1.564 -2.963 -6.228 1.00 0.00 C ATOM 664 C THR A 92 2.793 -2.765 -5.357 1.00 0.00 C ATOM 665 O THR A 92 3.487 -1.749 -5.450 1.00 0.00 O ATOM 666 CB THR A 92 0.308 -2.796 -5.358 1.00 0.00 C ATOM 667 OG1 THR A 92 -0.870 -2.967 -6.154 1.00 0.00 O ATOM 668 CG2 THR A 92 0.282 -1.430 -4.684 1.00 0.00 C ATOM 0 H THR A 92 0.816 -4.883 -6.591 1.00 0.00 H new ATOM 0 HA THR A 92 1.556 -2.216 -7.022 1.00 0.00 H new ATOM 0 HB THR A 92 0.334 -3.560 -4.581 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.647 -2.839 -7.100 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.618 -1.342 -4.076 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.161 -1.321 -4.049 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.284 -0.649 -5.444 1.00 0.00 H new ATOM 676 N ALA A 93 3.060 -3.755 -4.526 1.00 0.00 N ATOM 677 CA ALA A 93 4.196 -3.726 -3.637 1.00 0.00 C ATOM 678 C ALA A 93 5.494 -3.699 -4.427 1.00 0.00 C ATOM 679 O ALA A 93 6.435 -2.996 -4.066 1.00 0.00 O ATOM 680 CB ALA A 93 4.149 -4.930 -2.723 1.00 0.00 C ATOM 0 H ALA A 93 2.493 -4.600 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 93 4.156 -2.819 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.007 -4.910 -2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.229 -4.908 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 93 4.177 -5.841 -3.320 1.00 0.00 H new ATOM 686 N TYR A 94 5.532 -4.458 -5.521 1.00 0.00 N ATOM 687 CA TYR A 94 6.710 -4.508 -6.369 1.00 0.00 C ATOM 688 C TYR A 94 6.924 -3.149 -7.017 1.00 0.00 C ATOM 689 O TYR A 94 8.052 -2.683 -7.156 1.00 0.00 O ATOM 690 CB TYR A 94 6.560 -5.575 -7.454 1.00 0.00 C ATOM 691 CG TYR A 94 7.887 -6.029 -8.010 1.00 0.00 C ATOM 692 CD1 TYR A 94 8.588 -5.235 -8.901 1.00 0.00 C ATOM 693 CD2 TYR A 94 8.446 -7.239 -7.628 1.00 0.00 C ATOM 694 CE1 TYR A 94 9.814 -5.628 -9.397 1.00 0.00 C ATOM 695 CE2 TYR A 94 9.669 -7.646 -8.122 1.00 0.00 C ATOM 696 CZ TYR A 94 10.353 -6.836 -9.004 1.00 0.00 C ATOM 697 OH TYR A 94 11.583 -7.227 -9.488 1.00 0.00 O ATOM 0 H TYR A 94 4.759 -5.044 -5.836 1.00 0.00 H new ATOM 0 HA TYR A 94 7.570 -4.766 -5.751 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.030 -6.434 -7.043 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.947 -5.180 -8.264 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.168 -4.291 -9.214 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.916 -7.873 -6.933 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.349 -4.994 -10.089 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.088 -8.594 -7.819 1.00 0.00 H new ATOM 0 HH TYR A 94 11.819 -8.101 -9.113 1.00 0.00 H new ATOM 707 N ASN A 95 5.818 -2.522 -7.402 1.00 0.00 N ATOM 708 CA ASN A 95 5.848 -1.210 -8.042 1.00 0.00 C ATOM 709 C ASN A 95 6.487 -0.173 -7.126 1.00 0.00 C ATOM 710 O ASN A 95 7.366 0.575 -7.544 1.00 0.00 O ATOM 711 CB ASN A 95 4.430 -0.771 -8.414 1.00 0.00 C ATOM 712 CG ASN A 95 4.415 0.483 -9.267 1.00 0.00 C ATOM 713 OD1 ASN A 95 4.404 1.601 -8.752 1.00 0.00 O ATOM 714 ND2 ASN A 95 4.389 0.301 -10.577 1.00 0.00 N ATOM 0 H ASN A 95 4.880 -2.905 -7.281 1.00 0.00 H new ATOM 0 HA ASN A 95 6.449 -1.288 -8.948 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.933 -1.578 -8.952 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.857 -0.594 -7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.359 1.106 -11.203 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.399 -0.644 -10.961 1.00 0.00 H new ATOM 721 N PHE A 96 6.064 -0.150 -5.869 1.00 0.00 N ATOM 722 CA PHE A 96 6.646 0.761 -4.890 1.00 0.00 C ATOM 723 C PHE A 96 8.080 0.358 -4.570 1.00 0.00 C ATOM 724 O PHE A 96 8.957 1.212 -4.423 1.00 0.00 O ATOM 725 CB PHE A 96 5.793 0.807 -3.619 1.00 0.00 C ATOM 726 CG PHE A 96 6.424 1.574 -2.486 1.00 0.00 C ATOM 727 CD1 PHE A 96 6.646 2.939 -2.593 1.00 0.00 C ATOM 728 CD2 PHE A 96 6.801 0.929 -1.315 1.00 0.00 C ATOM 729 CE1 PHE A 96 7.229 3.645 -1.557 1.00 0.00 C ATOM 730 CE2 PHE A 96 7.385 1.632 -0.279 1.00 0.00 C ATOM 731 CZ PHE A 96 7.598 2.991 -0.399 1.00 0.00 C ATOM 0 H PHE A 96 5.323 -0.749 -5.504 1.00 0.00 H new ATOM 0 HA PHE A 96 6.663 1.763 -5.320 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.829 1.257 -3.857 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.596 -0.213 -3.289 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.360 3.457 -3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.636 -0.133 -1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.396 4.708 -1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.675 1.118 0.626 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.052 3.541 0.412 1.00 0.00 H new ATOM 741 N LEU A 97 8.314 -0.945 -4.482 1.00 0.00 N ATOM 742 CA LEU A 97 9.642 -1.466 -4.191 1.00 0.00 C ATOM 743 C LEU A 97 10.645 -1.031 -5.255 1.00 0.00 C ATOM 744 O LEU A 97 11.718 -0.539 -4.932 1.00 0.00 O ATOM 745 CB LEU A 97 9.598 -2.990 -4.095 1.00 0.00 C ATOM 746 CG LEU A 97 10.251 -3.569 -2.848 1.00 0.00 C ATOM 747 CD1 LEU A 97 9.482 -3.130 -1.615 1.00 0.00 C ATOM 748 CD2 LEU A 97 10.306 -5.082 -2.929 1.00 0.00 C ATOM 0 H LEU A 97 7.599 -1.661 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 97 9.967 -1.059 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.557 -3.312 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.088 -3.410 -4.973 1.00 0.00 H new ATOM 0 HG LEU A 97 11.273 -3.196 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.953 -3.547 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.486 -2.042 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.454 -3.486 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.776 -5.478 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.294 -5.479 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.887 -5.379 -3.802 1.00 0.00 H new ATOM 760 N GLN A 98 10.284 -1.187 -6.521 1.00 0.00 N ATOM 761 CA GLN A 98 11.156 -0.772 -7.617 1.00 0.00 C ATOM 762 C GLN A 98 11.241 0.754 -7.696 1.00 0.00 C ATOM 763 O GLN A 98 12.293 1.312 -8.014 1.00 0.00 O ATOM 764 CB GLN A 98 10.693 -1.357 -8.954 1.00 0.00 C ATOM 765 CG GLN A 98 9.354 -0.830 -9.429 1.00 0.00 C ATOM 766 CD GLN A 98 8.970 -1.349 -10.801 1.00 0.00 C ATOM 767 OE1 GLN A 98 7.789 -1.506 -11.113 1.00 0.00 O ATOM 768 NE2 GLN A 98 9.966 -1.616 -11.632 1.00 0.00 N ATOM 0 H GLN A 98 9.398 -1.596 -6.816 1.00 0.00 H new ATOM 0 HA GLN A 98 12.152 -1.163 -7.411 1.00 0.00 H new ATOM 0 HB2 GLN A 98 11.446 -1.142 -9.713 1.00 0.00 H new ATOM 0 HB3 GLN A 98 10.633 -2.441 -8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 98 8.583 -1.110 -8.711 1.00 0.00 H new ATOM 0 HG3 GLN A 98 9.386 0.259 -9.454 1.00 0.00 H new ATOM 0 HE21 GLN A 98 10.931 -1.472 -11.334 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.768 -1.965 -12.570 1.00 0.00 H new ATOM 777 N LYS A 99 10.123 1.416 -7.408 1.00 0.00 N ATOM 778 CA LYS A 99 10.040 2.872 -7.462 1.00 0.00 C ATOM 779 C LYS A 99 11.021 3.505 -6.485 1.00 0.00 C ATOM 780 O LYS A 99 11.748 4.434 -6.839 1.00 0.00 O ATOM 781 CB LYS A 99 8.597 3.304 -7.151 1.00 0.00 C ATOM 782 CG LYS A 99 8.336 4.809 -7.155 1.00 0.00 C ATOM 783 CD LYS A 99 8.702 5.453 -5.824 1.00 0.00 C ATOM 784 CE LYS A 99 8.173 6.877 -5.712 1.00 0.00 C ATOM 785 NZ LYS A 99 8.703 7.769 -6.780 1.00 0.00 N ATOM 0 H LYS A 99 9.253 0.960 -7.132 1.00 0.00 H new ATOM 0 HA LYS A 99 10.309 3.214 -8.462 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.934 2.838 -7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.323 2.910 -6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.912 5.275 -7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.284 4.994 -7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.300 4.852 -5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.786 5.459 -5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.084 6.862 -5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.440 7.285 -4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.340 8.733 -6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.742 7.781 -6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.398 7.417 -7.710 1.00 0.00 H new ATOM 799 N ASN A 100 11.072 2.977 -5.271 1.00 0.00 N ATOM 800 CA ASN A 100 11.924 3.552 -4.238 1.00 0.00 C ATOM 801 C ASN A 100 13.258 2.819 -4.174 1.00 0.00 C ATOM 802 O ASN A 100 14.160 3.194 -3.420 1.00 0.00 O ATOM 803 CB ASN A 100 11.234 3.515 -2.872 1.00 0.00 C ATOM 804 CG ASN A 100 11.682 4.654 -1.973 1.00 0.00 C ATOM 805 OD1 ASN A 100 12.736 4.429 -1.205 1.00 0.00 O flip ATOM 806 ND2 ASN A 100 11.085 5.732 -1.973 1.00 0.00 N flip ATOM 0 H ASN A 100 10.539 2.158 -4.978 1.00 0.00 H new ATOM 0 HA ASN A 100 12.109 4.594 -4.499 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.154 3.567 -3.011 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.448 2.564 -2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.276 5.867 -2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.400 6.489 -1.366 1.00 0.00 H new ATOM 813 N ASP A 101 13.350 1.754 -4.968 1.00 0.00 N ATOM 814 CA ASP A 101 14.547 0.912 -5.050 1.00 0.00 C ATOM 815 C ASP A 101 14.784 0.180 -3.729 1.00 0.00 C ATOM 816 O ASP A 101 15.885 0.178 -3.179 1.00 0.00 O ATOM 817 CB ASP A 101 15.777 1.737 -5.450 1.00 0.00 C ATOM 818 CG ASP A 101 16.939 0.873 -5.902 1.00 0.00 C ATOM 819 OD1 ASP A 101 16.841 0.262 -6.987 1.00 0.00 O ATOM 820 OD2 ASP A 101 17.957 0.803 -5.189 1.00 0.00 O ATOM 0 H ASP A 101 12.592 1.447 -5.578 1.00 0.00 H new ATOM 0 HA ASP A 101 14.382 0.166 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.505 2.422 -6.253 1.00 0.00 H new ATOM 0 HB3 ASP A 101 16.091 2.347 -4.603 1.00 0.00 H new ATOM 825 N LEU A 102 13.724 -0.425 -3.210 1.00 0.00 N ATOM 826 CA LEU A 102 13.805 -1.198 -1.983 1.00 0.00 C ATOM 827 C LEU A 102 14.305 -2.605 -2.272 1.00 0.00 C ATOM 828 O LEU A 102 14.475 -2.997 -3.430 1.00 0.00 O ATOM 829 CB LEU A 102 12.438 -1.283 -1.293 1.00 0.00 C ATOM 830 CG LEU A 102 11.850 0.025 -0.755 1.00 0.00 C ATOM 831 CD1 LEU A 102 12.887 1.129 -0.689 1.00 0.00 C ATOM 832 CD2 LEU A 102 10.654 0.442 -1.583 1.00 0.00 C ATOM 0 H LEU A 102 12.793 -0.393 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 102 14.506 -0.690 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.727 -1.709 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.520 -1.985 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 102 11.518 -0.154 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.427 2.038 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.700 0.825 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.281 1.319 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.246 1.373 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.962 0.589 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.892 -0.336 -1.538 1.00 0.00 H new ATOM 844 N ASN A 103 14.528 -3.357 -1.211 1.00 0.00 N ATOM 845 CA ASN A 103 14.960 -4.743 -1.316 1.00 0.00 C ATOM 846 C ASN A 103 13.737 -5.633 -1.542 1.00 0.00 C ATOM 847 O ASN A 103 12.711 -5.457 -0.883 1.00 0.00 O ATOM 848 CB ASN A 103 15.675 -5.151 -0.022 1.00 0.00 C ATOM 849 CG ASN A 103 16.583 -6.357 -0.182 1.00 0.00 C ATOM 850 OD1 ASN A 103 17.158 -6.587 -1.245 1.00 0.00 O ATOM 851 ND2 ASN A 103 16.733 -7.130 0.882 1.00 0.00 N ATOM 0 H ASN A 103 14.416 -3.028 -0.252 1.00 0.00 H new ATOM 0 HA ASN A 103 15.648 -4.857 -2.154 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.265 -4.308 0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.929 -5.368 0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 103 17.342 -7.947 0.837 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.240 -6.908 1.747 1.00 0.00 H new ATOM 858 N PRO A 104 13.829 -6.602 -2.474 1.00 0.00 N ATOM 859 CA PRO A 104 12.713 -7.499 -2.827 1.00 0.00 C ATOM 860 C PRO A 104 12.197 -8.299 -1.632 1.00 0.00 C ATOM 861 O PRO A 104 11.136 -8.916 -1.696 1.00 0.00 O ATOM 862 CB PRO A 104 13.318 -8.436 -3.878 1.00 0.00 C ATOM 863 CG PRO A 104 14.489 -7.694 -4.421 1.00 0.00 C ATOM 864 CD PRO A 104 15.029 -6.897 -3.270 1.00 0.00 C ATOM 0 HA PRO A 104 11.848 -6.939 -3.184 1.00 0.00 H new ATOM 0 HB2 PRO A 104 13.622 -9.384 -3.434 1.00 0.00 H new ATOM 0 HB3 PRO A 104 12.598 -8.667 -4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 104 15.241 -8.380 -4.811 1.00 0.00 H new ATOM 0 HG3 PRO A 104 14.194 -7.043 -5.244 1.00 0.00 H new ATOM 0 HD2 PRO A 104 15.763 -7.464 -2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.523 -5.986 -3.608 1.00 0.00 H new ATOM 872 N MET A 105 12.957 -8.273 -0.547 1.00 0.00 N ATOM 873 CA MET A 105 12.574 -8.924 0.698 1.00 0.00 C ATOM 874 C MET A 105 11.411 -8.188 1.368 1.00 0.00 C ATOM 875 O MET A 105 10.712 -8.750 2.211 1.00 0.00 O ATOM 876 CB MET A 105 13.781 -8.979 1.637 1.00 0.00 C ATOM 877 CG MET A 105 13.491 -9.573 3.005 1.00 0.00 C ATOM 878 SD MET A 105 14.954 -9.620 4.055 1.00 0.00 S ATOM 879 CE MET A 105 14.223 -10.119 5.610 1.00 0.00 C ATOM 0 H MET A 105 13.859 -7.799 -0.505 1.00 0.00 H new ATOM 0 HA MET A 105 12.242 -9.938 0.475 1.00 0.00 H new ATOM 0 HB2 MET A 105 14.569 -9.563 1.161 1.00 0.00 H new ATOM 0 HB3 MET A 105 14.169 -7.969 1.769 1.00 0.00 H new ATOM 0 HG2 MET A 105 12.713 -8.987 3.495 1.00 0.00 H new ATOM 0 HG3 MET A 105 13.101 -10.584 2.884 1.00 0.00 H new ATOM 0 HE1 MET A 105 15.001 -10.195 6.370 1.00 0.00 H new ATOM 0 HE2 MET A 105 13.485 -9.379 5.919 1.00 0.00 H new ATOM 0 HE3 MET A 105 13.738 -11.088 5.490 1.00 0.00 H new ATOM 889 N PHE A 106 11.188 -6.938 0.976 1.00 0.00 N ATOM 890 CA PHE A 106 10.128 -6.137 1.574 1.00 0.00 C ATOM 891 C PHE A 106 8.804 -6.397 0.872 1.00 0.00 C ATOM 892 O PHE A 106 7.739 -6.105 1.411 1.00 0.00 O ATOM 893 CB PHE A 106 10.460 -4.644 1.497 1.00 0.00 C ATOM 894 CG PHE A 106 11.643 -4.226 2.328 1.00 0.00 C ATOM 895 CD1 PHE A 106 11.594 -4.312 3.711 1.00 0.00 C ATOM 896 CD2 PHE A 106 12.799 -3.744 1.729 1.00 0.00 C ATOM 897 CE1 PHE A 106 12.675 -3.930 4.480 1.00 0.00 C ATOM 898 CE2 PHE A 106 13.882 -3.359 2.497 1.00 0.00 C ATOM 899 CZ PHE A 106 13.820 -3.452 3.872 1.00 0.00 C ATOM 0 H PHE A 106 11.724 -6.461 0.251 1.00 0.00 H new ATOM 0 HA PHE A 106 10.044 -6.426 2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 106 10.651 -4.380 0.457 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.588 -4.073 1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 106 10.700 -4.682 4.192 1.00 0.00 H new ATOM 0 HD2 PHE A 106 12.853 -3.669 0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 106 12.626 -4.005 5.556 1.00 0.00 H new ATOM 0 HE2 PHE A 106 14.776 -2.985 2.021 1.00 0.00 H new ATOM 0 HZ PHE A 106 14.666 -3.151 4.473 1.00 0.00 H new ATOM 909 N LEU A 107 8.894 -6.971 -0.325 1.00 0.00 N ATOM 910 CA LEU A 107 7.744 -7.171 -1.207 1.00 0.00 C ATOM 911 C LEU A 107 6.620 -7.941 -0.520 1.00 0.00 C ATOM 912 O LEU A 107 5.461 -7.544 -0.593 1.00 0.00 O ATOM 913 CB LEU A 107 8.208 -7.894 -2.478 1.00 0.00 C ATOM 914 CG LEU A 107 7.123 -8.343 -3.456 1.00 0.00 C ATOM 915 CD1 LEU A 107 6.280 -7.168 -3.883 1.00 0.00 C ATOM 916 CD2 LEU A 107 7.758 -8.982 -4.673 1.00 0.00 C ATOM 0 H LEU A 107 9.772 -7.313 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 107 7.335 -6.195 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.893 -7.235 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.779 -8.773 -2.179 1.00 0.00 H new ATOM 0 HG LEU A 107 6.485 -9.072 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.512 -7.505 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.806 -6.723 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.911 -6.425 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 107 6.979 -9.300 -5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 107 8.409 -8.259 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.344 -9.848 -4.365 1.00 0.00 H new ATOM 928 N ASP A 108 6.964 -9.025 0.158 1.00 0.00 N ATOM 929 CA ASP A 108 5.958 -9.839 0.829 1.00 0.00 C ATOM 930 C ASP A 108 5.270 -9.053 1.939 1.00 0.00 C ATOM 931 O ASP A 108 4.055 -9.113 2.079 1.00 0.00 O ATOM 932 CB ASP A 108 6.586 -11.115 1.398 1.00 0.00 C ATOM 933 CG ASP A 108 5.568 -12.021 2.067 1.00 0.00 C ATOM 934 OD1 ASP A 108 4.914 -12.818 1.359 1.00 0.00 O ATOM 935 OD2 ASP A 108 5.420 -11.954 3.304 1.00 0.00 O ATOM 0 H ASP A 108 7.922 -9.361 0.259 1.00 0.00 H new ATOM 0 HA ASP A 108 5.208 -10.118 0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.080 -11.661 0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.356 -10.845 2.120 1.00 0.00 H new ATOM 940 N GLN A 109 6.046 -8.285 2.695 1.00 0.00 N ATOM 941 CA GLN A 109 5.517 -7.532 3.823 1.00 0.00 C ATOM 942 C GLN A 109 4.468 -6.514 3.369 1.00 0.00 C ATOM 943 O GLN A 109 3.355 -6.459 3.909 1.00 0.00 O ATOM 944 CB GLN A 109 6.675 -6.829 4.537 1.00 0.00 C ATOM 945 CG GLN A 109 6.255 -5.657 5.407 1.00 0.00 C ATOM 946 CD GLN A 109 7.429 -4.994 6.104 1.00 0.00 C ATOM 947 OE1 GLN A 109 8.432 -5.639 6.410 1.00 0.00 O ATOM 948 NE2 GLN A 109 7.311 -3.703 6.365 1.00 0.00 N ATOM 0 H GLN A 109 7.048 -8.168 2.545 1.00 0.00 H new ATOM 0 HA GLN A 109 5.024 -8.221 4.510 1.00 0.00 H new ATOM 0 HB2 GLN A 109 7.199 -7.556 5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.386 -6.475 3.790 1.00 0.00 H new ATOM 0 HG2 GLN A 109 5.740 -4.920 4.792 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.542 -6.003 6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 109 6.464 -3.204 6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 109 8.067 -3.207 6.836 1.00 0.00 H new ATOM 957 N VAL A 110 4.811 -5.739 2.350 1.00 0.00 N ATOM 958 CA VAL A 110 3.909 -4.723 1.834 1.00 0.00 C ATOM 959 C VAL A 110 2.714 -5.352 1.127 1.00 0.00 C ATOM 960 O VAL A 110 1.577 -4.926 1.318 1.00 0.00 O ATOM 961 CB VAL A 110 4.632 -3.750 0.878 1.00 0.00 C ATOM 962 CG1 VAL A 110 5.310 -2.657 1.662 1.00 0.00 C ATOM 963 CG2 VAL A 110 5.670 -4.467 0.045 1.00 0.00 C ATOM 0 H VAL A 110 5.707 -5.795 1.866 1.00 0.00 H new ATOM 0 HA VAL A 110 3.549 -4.155 2.692 1.00 0.00 H new ATOM 0 HB VAL A 110 3.879 -3.323 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.816 -1.978 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.565 -2.105 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.040 -3.096 2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.161 -3.754 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.412 -4.923 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.187 -5.242 -0.550 1.00 0.00 H new ATOM 973 N ALA A 111 2.976 -6.382 0.333 1.00 0.00 N ATOM 974 CA ALA A 111 1.928 -7.056 -0.421 1.00 0.00 C ATOM 975 C ALA A 111 0.948 -7.765 0.499 1.00 0.00 C ATOM 976 O ALA A 111 -0.234 -7.810 0.207 1.00 0.00 O ATOM 977 CB ALA A 111 2.522 -8.033 -1.416 1.00 0.00 C ATOM 0 H ALA A 111 3.909 -6.770 0.194 1.00 0.00 H new ATOM 0 HA ALA A 111 1.378 -6.292 -0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.720 -8.524 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 111 3.165 -7.496 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.108 -8.782 -0.884 1.00 0.00 H new ATOM 983 N LYS A 112 1.434 -8.337 1.592 1.00 0.00 N ATOM 984 CA LYS A 112 0.555 -8.990 2.556 1.00 0.00 C ATOM 985 C LYS A 112 -0.416 -8.001 3.174 1.00 0.00 C ATOM 986 O LYS A 112 -1.590 -8.317 3.370 1.00 0.00 O ATOM 987 CB LYS A 112 1.363 -9.689 3.643 1.00 0.00 C ATOM 988 CG LYS A 112 2.007 -10.968 3.154 1.00 0.00 C ATOM 989 CD LYS A 112 0.965 -12.016 2.823 1.00 0.00 C ATOM 990 CE LYS A 112 1.593 -13.234 2.175 1.00 0.00 C ATOM 991 NZ LYS A 112 2.809 -13.689 2.904 1.00 0.00 N ATOM 0 H LYS A 112 2.425 -8.363 1.834 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.023 -9.741 2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 112 2.136 -9.013 4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.712 -9.914 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.610 -10.759 2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 112 2.683 -11.353 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.444 -12.314 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.218 -11.590 2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.865 -14.044 2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.855 -13.001 1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.842 -14.728 2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.657 -13.319 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.779 -13.338 3.883 1.00 0.00 H new ATOM 1005 N PHE A 113 0.067 -6.801 3.474 1.00 0.00 N ATOM 1006 CA PHE A 113 -0.811 -5.753 3.975 1.00 0.00 C ATOM 1007 C PHE A 113 -1.861 -5.412 2.919 1.00 0.00 C ATOM 1008 O PHE A 113 -3.055 -5.292 3.219 1.00 0.00 O ATOM 1009 CB PHE A 113 -0.003 -4.511 4.359 1.00 0.00 C ATOM 1010 CG PHE A 113 -0.778 -3.578 5.244 1.00 0.00 C ATOM 1011 CD1 PHE A 113 -1.705 -2.710 4.702 1.00 0.00 C ATOM 1012 CD2 PHE A 113 -0.585 -3.577 6.618 1.00 0.00 C ATOM 1013 CE1 PHE A 113 -2.432 -1.855 5.507 1.00 0.00 C ATOM 1014 CE2 PHE A 113 -1.308 -2.723 7.431 1.00 0.00 C ATOM 1015 CZ PHE A 113 -2.233 -1.861 6.873 1.00 0.00 C ATOM 0 H PHE A 113 1.047 -6.533 3.381 1.00 0.00 H new ATOM 0 HA PHE A 113 -1.317 -6.113 4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.910 -4.818 4.869 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.299 -3.983 3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.864 -2.700 3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.137 -4.250 7.057 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.155 -1.183 5.069 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.150 -2.730 8.499 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.799 -1.193 7.505 1.00 0.00 H new ATOM 1025 N ILE A 114 -1.407 -5.284 1.678 1.00 0.00 N ATOM 1026 CA ILE A 114 -2.285 -5.047 0.546 1.00 0.00 C ATOM 1027 C ILE A 114 -3.334 -6.152 0.421 1.00 0.00 C ATOM 1028 O ILE A 114 -4.525 -5.879 0.259 1.00 0.00 O ATOM 1029 CB ILE A 114 -1.473 -5.007 -0.748 1.00 0.00 C ATOM 1030 CG1 ILE A 114 -0.479 -3.850 -0.737 1.00 0.00 C ATOM 1031 CG2 ILE A 114 -2.393 -4.900 -1.944 1.00 0.00 C ATOM 1032 CD1 ILE A 114 0.627 -4.028 -1.748 1.00 0.00 C ATOM 0 H ILE A 114 -0.419 -5.342 1.431 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.784 -4.092 0.711 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.908 -5.936 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.008 -2.919 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.045 -3.758 0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.800 -4.873 -2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.059 -5.763 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -2.984 -3.988 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.306 -3.177 -1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.176 -4.944 -1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.199 -4.092 -2.748 1.00 0.00 H new ATOM 1044 N ILE A 115 -2.872 -7.399 0.505 1.00 0.00 N ATOM 1045 CA ILE A 115 -3.739 -8.557 0.373 1.00 0.00 C ATOM 1046 C ILE A 115 -4.805 -8.543 1.454 1.00 0.00 C ATOM 1047 O ILE A 115 -5.987 -8.671 1.166 1.00 0.00 O ATOM 1048 CB ILE A 115 -2.949 -9.886 0.464 1.00 0.00 C ATOM 1049 CG1 ILE A 115 -2.204 -10.146 -0.837 1.00 0.00 C ATOM 1050 CG2 ILE A 115 -3.890 -11.044 0.763 1.00 0.00 C ATOM 1051 CD1 ILE A 115 -1.022 -11.074 -0.705 1.00 0.00 C ATOM 0 H ILE A 115 -1.891 -7.629 0.666 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.202 -8.498 -0.612 1.00 0.00 H new ATOM 0 HB ILE A 115 -2.226 -9.803 1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -2.901 -10.566 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.859 -9.194 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -3.319 -11.970 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.395 -10.866 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -4.631 -11.126 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.550 -11.203 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.301 -10.648 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.359 -12.042 -0.334 1.00 0.00 H new ATOM 1063 N ASP A 116 -4.372 -8.358 2.694 1.00 0.00 N ATOM 1064 CA ASP A 116 -5.266 -8.409 3.846 1.00 0.00 C ATOM 1065 C ASP A 116 -6.427 -7.430 3.685 1.00 0.00 C ATOM 1066 O ASP A 116 -7.552 -7.709 4.107 1.00 0.00 O ATOM 1067 CB ASP A 116 -4.501 -8.112 5.134 1.00 0.00 C ATOM 1068 CG ASP A 116 -4.937 -9.010 6.273 1.00 0.00 C ATOM 1069 OD1 ASP A 116 -6.110 -8.939 6.674 1.00 0.00 O ATOM 1070 OD2 ASP A 116 -4.107 -9.817 6.750 1.00 0.00 O ATOM 0 H ASP A 116 -3.398 -8.169 2.930 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.675 -9.417 3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.433 -8.241 4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.654 -7.070 5.415 1.00 0.00 H new ATOM 1075 N ASN A 117 -6.145 -6.288 3.065 1.00 0.00 N ATOM 1076 CA ASN A 117 -7.160 -5.267 2.818 1.00 0.00 C ATOM 1077 C ASN A 117 -8.280 -5.786 1.911 1.00 0.00 C ATOM 1078 O ASN A 117 -9.458 -5.531 2.162 1.00 0.00 O ATOM 1079 CB ASN A 117 -6.505 -4.024 2.198 1.00 0.00 C ATOM 1080 CG ASN A 117 -7.512 -2.985 1.735 1.00 0.00 C ATOM 1081 OD1 ASN A 117 -7.859 -3.025 0.456 1.00 0.00 O flip ATOM 1082 ND2 ASN A 117 -7.954 -2.138 2.509 1.00 0.00 N flip ATOM 0 H ASN A 117 -5.216 -6.045 2.722 1.00 0.00 H new ATOM 0 HA ASN A 117 -7.611 -5.003 3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -5.836 -3.571 2.929 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -5.892 -4.329 1.350 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -7.663 -2.139 3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -8.611 -1.434 2.173 1.00 0.00 H new ATOM 1089 N THR A 118 -7.917 -6.523 0.866 1.00 0.00 N ATOM 1090 CA THR A 118 -8.895 -6.992 -0.110 1.00 0.00 C ATOM 1091 C THR A 118 -9.383 -8.412 0.189 1.00 0.00 C ATOM 1092 O THR A 118 -10.538 -8.746 -0.078 1.00 0.00 O ATOM 1093 CB THR A 118 -8.317 -6.934 -1.536 1.00 0.00 C ATOM 1094 OG1 THR A 118 -6.915 -7.244 -1.507 1.00 0.00 O ATOM 1095 CG2 THR A 118 -8.528 -5.560 -2.157 1.00 0.00 C ATOM 0 H THR A 118 -6.957 -6.808 0.673 1.00 0.00 H new ATOM 0 HA THR A 118 -9.752 -6.322 -0.037 1.00 0.00 H new ATOM 0 HB THR A 118 -8.841 -7.670 -2.146 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.553 -7.207 -2.417 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.110 -5.548 -3.164 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.595 -5.342 -2.204 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.030 -4.805 -1.548 1.00 0.00 H new ATOM 1103 N LYS A 119 -8.509 -9.242 0.751 1.00 0.00 N ATOM 1104 CA LYS A 119 -8.856 -10.631 1.045 1.00 0.00 C ATOM 1105 C LYS A 119 -9.750 -10.708 2.282 1.00 0.00 C ATOM 1106 O LYS A 119 -10.536 -11.645 2.434 1.00 0.00 O ATOM 1107 CB LYS A 119 -7.590 -11.493 1.234 1.00 0.00 C ATOM 1108 CG LYS A 119 -6.867 -11.258 2.547 1.00 0.00 C ATOM 1109 CD LYS A 119 -7.188 -12.335 3.568 1.00 0.00 C ATOM 1110 CE LYS A 119 -6.369 -12.167 4.836 1.00 0.00 C ATOM 1111 NZ LYS A 119 -4.913 -12.324 4.589 1.00 0.00 N ATOM 0 H LYS A 119 -7.558 -8.979 1.012 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.407 -11.029 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -7.867 -12.545 1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.902 -11.293 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.792 -11.233 2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.147 -10.283 2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -8.250 -12.300 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.993 -13.316 3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.559 -11.182 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.692 -12.901 5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.419 -12.456 5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.751 -13.153 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.547 -11.473 4.116 1.00 0.00 H new ATOM 1125 N GLY A 120 -9.614 -9.727 3.169 1.00 0.00 N ATOM 1126 CA GLY A 120 -10.458 -9.663 4.345 1.00 0.00 C ATOM 1127 C GLY A 120 -9.830 -10.341 5.544 1.00 0.00 C ATOM 1128 O GLY A 120 -8.624 -10.237 5.756 1.00 0.00 O ATOM 0 H GLY A 120 -8.931 -8.973 3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -10.662 -8.620 4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -11.417 -10.133 4.127 1.00 0.00 H new ATOM 1132 N GLN A 121 -10.659 -11.023 6.328 1.00 0.00 N ATOM 1133 CA GLN A 121 -10.225 -11.770 7.511 1.00 0.00 C ATOM 1134 C GLN A 121 -9.686 -10.849 8.615 1.00 0.00 C ATOM 1135 O GLN A 121 -10.433 -10.458 9.515 1.00 0.00 O ATOM 1136 CB GLN A 121 -9.199 -12.849 7.141 1.00 0.00 C ATOM 1137 CG GLN A 121 -9.736 -13.874 6.150 1.00 0.00 C ATOM 1138 CD GLN A 121 -8.760 -15.001 5.870 1.00 0.00 C ATOM 1139 OE1 GLN A 121 -7.546 -14.826 5.951 1.00 0.00 O ATOM 1140 NE2 GLN A 121 -9.287 -16.163 5.523 1.00 0.00 N ATOM 0 H GLN A 121 -11.664 -11.075 6.160 1.00 0.00 H new ATOM 0 HA GLN A 121 -11.108 -12.266 7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -8.316 -12.371 6.717 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -8.879 -13.363 8.047 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -10.664 -14.294 6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -9.980 -13.372 5.214 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -10.300 -16.267 5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -8.680 -16.955 5.311 1.00 0.00 H new ATOM 1149 N MET A 122 -8.410 -10.490 8.538 1.00 0.00 N ATOM 1150 CA MET A 122 -7.770 -9.716 9.600 1.00 0.00 C ATOM 1151 C MET A 122 -8.038 -8.217 9.449 1.00 0.00 C ATOM 1152 O MET A 122 -8.401 -7.541 10.415 1.00 0.00 O ATOM 1153 CB MET A 122 -6.260 -9.989 9.602 1.00 0.00 C ATOM 1154 CG MET A 122 -5.450 -9.006 10.434 1.00 0.00 C ATOM 1155 SD MET A 122 -5.890 -9.030 12.180 1.00 0.00 S ATOM 1156 CE MET A 122 -4.831 -7.727 12.798 1.00 0.00 C ATOM 0 H MET A 122 -7.798 -10.720 7.755 1.00 0.00 H new ATOM 0 HA MET A 122 -8.199 -10.030 10.552 1.00 0.00 H new ATOM 0 HB2 MET A 122 -6.085 -10.997 9.978 1.00 0.00 H new ATOM 0 HB3 MET A 122 -5.896 -9.964 8.575 1.00 0.00 H new ATOM 0 HG2 MET A 122 -4.390 -9.237 10.329 1.00 0.00 H new ATOM 0 HG3 MET A 122 -5.597 -8.000 10.042 1.00 0.00 H new ATOM 0 HE1 MET A 122 -4.983 -7.613 13.871 1.00 0.00 H new ATOM 0 HE2 MET A 122 -3.789 -7.982 12.604 1.00 0.00 H new ATOM 0 HE3 MET A 122 -5.075 -6.791 12.296 1.00 0.00 H new ATOM 1166 N LEU A 123 -7.876 -7.706 8.241 1.00 0.00 N ATOM 1167 CA LEU A 123 -8.052 -6.282 7.987 1.00 0.00 C ATOM 1168 C LEU A 123 -9.421 -6.005 7.384 1.00 0.00 C ATOM 1169 O LEU A 123 -10.251 -5.323 7.983 1.00 0.00 O ATOM 1170 CB LEU A 123 -6.959 -5.778 7.042 1.00 0.00 C ATOM 1171 CG LEU A 123 -6.797 -4.258 6.977 1.00 0.00 C ATOM 1172 CD1 LEU A 123 -6.447 -3.693 8.347 1.00 0.00 C ATOM 1173 CD2 LEU A 123 -5.732 -3.878 5.958 1.00 0.00 C ATOM 0 H LEU A 123 -7.623 -8.254 7.419 1.00 0.00 H new ATOM 0 HA LEU A 123 -7.979 -5.754 8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -6.008 -6.215 7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.171 -6.147 6.039 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.748 -3.828 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -6.337 -2.611 8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -7.242 -3.932 9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.511 -4.132 8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -5.630 -2.793 5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -4.779 -4.323 6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -6.023 -4.245 4.974 1.00 0.00 H new ATOM 1185 N GLY A 124 -9.644 -6.551 6.196 1.00 0.00 N ATOM 1186 CA GLY A 124 -10.902 -6.345 5.491 1.00 0.00 C ATOM 1187 C GLY A 124 -12.088 -7.003 6.175 1.00 0.00 C ATOM 1188 O GLY A 124 -13.237 -6.737 5.820 1.00 0.00 O ATOM 0 H GLY A 124 -8.972 -7.138 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -11.090 -5.275 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -10.812 -6.738 4.478 1.00 0.00 H new ATOM 1192 N LEU A 125 -11.798 -7.863 7.151 1.00 0.00 N ATOM 1193 CA LEU A 125 -12.821 -8.576 7.921 1.00 0.00 C ATOM 1194 C LEU A 125 -13.657 -9.508 7.045 1.00 0.00 C ATOM 1195 O LEU A 125 -13.303 -10.667 6.839 1.00 0.00 O ATOM 1196 CB LEU A 125 -13.729 -7.604 8.675 1.00 0.00 C ATOM 1197 CG LEU A 125 -13.061 -6.855 9.828 1.00 0.00 C ATOM 1198 CD1 LEU A 125 -14.033 -5.868 10.443 1.00 0.00 C ATOM 1199 CD2 LEU A 125 -12.555 -7.830 10.880 1.00 0.00 C ATOM 0 H LEU A 125 -10.843 -8.087 7.432 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.290 -9.191 8.648 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -14.121 -6.874 7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -14.582 -8.158 9.068 1.00 0.00 H new ATOM 0 HG LEU A 125 -12.206 -6.305 9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -13.546 -5.341 11.263 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -14.349 -5.150 9.687 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -14.904 -6.403 10.822 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -12.083 -7.277 11.692 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -13.392 -8.408 11.273 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -11.827 -8.505 10.430 1.00 0.00 H new ATOM 1211 N GLY A 126 -14.761 -8.999 6.525 1.00 0.00 N ATOM 1212 CA GLY A 126 -15.623 -9.807 5.689 1.00 0.00 C ATOM 1213 C GLY A 126 -16.240 -9.010 4.564 1.00 0.00 C ATOM 1214 O GLY A 126 -16.994 -8.068 4.806 1.00 0.00 O ATOM 0 H GLY A 126 -15.077 -8.040 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.050 -10.635 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -16.414 -10.242 6.300 1.00 0.00 H new ATOM 1218 N ASN A 127 -15.901 -9.372 3.338 1.00 0.00 N ATOM 1219 CA ASN A 127 -16.468 -8.730 2.163 1.00 0.00 C ATOM 1220 C ASN A 127 -17.368 -9.708 1.418 1.00 0.00 C ATOM 1221 O ASN A 127 -16.889 -10.538 0.641 1.00 0.00 O ATOM 1222 CB ASN A 127 -15.361 -8.228 1.233 1.00 0.00 C ATOM 1223 CG ASN A 127 -15.906 -7.469 0.036 1.00 0.00 C ATOM 1224 OD1 ASN A 127 -16.941 -6.807 0.121 1.00 0.00 O ATOM 1225 ND2 ASN A 127 -15.218 -7.573 -1.090 1.00 0.00 N ATOM 0 H ASN A 127 -15.231 -10.112 3.129 1.00 0.00 H new ATOM 0 HA ASN A 127 -17.060 -7.875 2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -14.686 -7.580 1.793 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -14.772 -9.076 0.884 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -15.541 -7.094 -1.931 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -14.365 -8.132 -1.117 1.00 0.00 H new ATOM 1232 N PRO A 128 -18.685 -9.643 1.667 1.00 0.00 N ATOM 1233 CA PRO A 128 -19.663 -10.512 1.025 1.00 0.00 C ATOM 1234 C PRO A 128 -20.039 -10.012 -0.366 1.00 0.00 C ATOM 1235 O PRO A 128 -19.383 -10.426 -1.344 1.00 0.00 O ATOM 1236 CB PRO A 128 -20.880 -10.450 1.968 1.00 0.00 C ATOM 1237 CG PRO A 128 -20.495 -9.535 3.090 1.00 0.00 C ATOM 1238 CD PRO A 128 -19.334 -8.721 2.599 1.00 0.00 C ATOM 1239 OXT PRO A 128 -20.980 -9.201 -0.475 1.00 0.00 O ATOM 0 HA PRO A 128 -19.280 -11.522 0.878 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -21.759 -10.075 1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -21.132 -11.442 2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -21.329 -8.891 3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -20.221 -10.105 3.978 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -19.658 -7.805 2.106 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -18.669 -8.428 3.412 1.00 0.00 H new TER 1247 PRO A 128