USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 725 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 Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -3.77! C(o=-3.8!,f=-7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 82:sc= 0.274 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc=-0.00751 X(o=-0.0075,f=-0.13) USER MOD Single : A 28 ASN : amide:sc= -0.663 K(o=-0.66,f=-6.4!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 152:sc= -0.359 (180deg=-1.27) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 153:sc= -2.36 (180deg=-2.97) USER MOD Single : A 46 ASN : amide:sc= -0.398 K(o=-0.4,f=-1.5) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= 0.605 F(o=-0.43,f=0.6) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 165:sc= -0.397 USER MOD Single : A 54 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.42) USER MOD Single : A 55 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.11) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= -0.328 (180deg=-1.56!) USER MOD Single : A 68 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.5!) USER MOD Single : A 72 GLN :FLIP amide:sc= 1.04 F(o=0,f=1) USER MOD Single : A 75 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.1) USER MOD Single : A 76 THR OG1 : rot -86:sc= 1.2 USER MOD Single : A 79 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.021) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 86:sc= 0.0411 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.541 -12.498 -9.604 1.00 0.00 N ATOM 31 CA LEU A 3 -10.341 -12.213 -8.189 1.00 0.00 C ATOM 32 C LEU A 3 -11.152 -13.170 -7.322 1.00 0.00 C ATOM 33 O LEU A 3 -12.375 -13.058 -7.233 1.00 0.00 O ATOM 34 CB LEU A 3 -10.734 -10.767 -7.879 1.00 0.00 C ATOM 35 CG LEU A 3 -9.621 -9.737 -8.076 1.00 0.00 C ATOM 36 CD1 LEU A 3 -10.170 -8.326 -7.947 1.00 0.00 C ATOM 37 CD2 LEU A 3 -8.498 -9.968 -7.076 1.00 0.00 C ATOM 0 HA LEU A 3 -9.284 -12.352 -7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.578 -10.493 -8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.079 -10.714 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.216 -9.856 -9.081 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.363 -7.607 -8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.939 -8.164 -8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.603 -8.193 -6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.715 -9.226 -7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.889 -9.877 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.085 -10.967 -7.217 1.00 0.00 H new ATOM 49 N LEU A 4 -10.464 -14.111 -6.683 1.00 0.00 N ATOM 50 CA LEU A 4 -11.120 -15.086 -5.822 1.00 0.00 C ATOM 51 C LEU A 4 -11.684 -14.418 -4.572 1.00 0.00 C ATOM 52 O LEU A 4 -11.292 -13.305 -4.221 1.00 0.00 O ATOM 53 CB LEU A 4 -10.138 -16.191 -5.425 1.00 0.00 C ATOM 54 CG LEU A 4 -10.749 -17.586 -5.297 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.779 -18.282 -6.649 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.974 -18.416 -4.285 1.00 0.00 C ATOM 0 H LEU A 4 -9.452 -14.218 -6.746 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.946 -15.527 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.338 -16.228 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.679 -15.923 -4.473 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.775 -17.482 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.217 -19.274 -6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.378 -17.697 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.763 -18.375 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.423 -19.406 -4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.938 -18.512 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.005 -17.925 -3.312 1.00 0.00 H new ATOM 68 N LYS A 5 -12.605 -15.104 -3.904 1.00 0.00 N ATOM 69 CA LYS A 5 -13.224 -14.577 -2.694 1.00 0.00 C ATOM 70 C LYS A 5 -12.179 -14.344 -1.607 1.00 0.00 C ATOM 71 O LYS A 5 -12.109 -13.264 -1.020 1.00 0.00 O ATOM 72 CB LYS A 5 -14.300 -15.537 -2.185 1.00 0.00 C ATOM 73 CG LYS A 5 -15.423 -14.847 -1.428 1.00 0.00 C ATOM 74 CD LYS A 5 -16.618 -14.577 -2.328 1.00 0.00 C ATOM 75 CE LYS A 5 -16.623 -13.143 -2.832 1.00 0.00 C ATOM 76 NZ LYS A 5 -17.198 -13.038 -4.201 1.00 0.00 N ATOM 0 H LYS A 5 -12.939 -16.027 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.688 -13.622 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.723 -16.078 -3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.836 -16.278 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.732 -15.469 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.059 -13.907 -1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.598 -15.262 -3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.539 -14.774 -1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.199 -12.520 -2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.604 -12.756 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.183 -12.045 -4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.634 -13.612 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.179 -13.384 -4.193 1.00 0.00 H new ATOM 90 N ALA A 6 -11.369 -15.363 -1.344 1.00 0.00 N ATOM 91 CA ALA A 6 -10.328 -15.270 -0.328 1.00 0.00 C ATOM 92 C ALA A 6 -9.185 -14.374 -0.794 1.00 0.00 C ATOM 93 O ALA A 6 -8.662 -13.568 -0.025 1.00 0.00 O ATOM 94 CB ALA A 6 -9.805 -16.656 0.020 1.00 0.00 C ATOM 0 H ALA A 6 -11.413 -16.264 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.765 -14.823 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.028 -16.572 0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.622 -17.268 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.390 -17.123 -0.873 1.00 0.00 H new ATOM 100 N ASN A 7 -8.803 -14.520 -2.059 1.00 0.00 N ATOM 101 CA ASN A 7 -7.722 -13.723 -2.627 1.00 0.00 C ATOM 102 C ASN A 7 -8.060 -12.236 -2.582 1.00 0.00 C ATOM 103 O ASN A 7 -7.249 -11.418 -2.149 1.00 0.00 O ATOM 104 CB ASN A 7 -7.450 -14.151 -4.070 1.00 0.00 C ATOM 105 CG ASN A 7 -6.512 -15.340 -4.152 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.483 -15.289 -4.825 1.00 0.00 O ATOM 107 ND2 ASN A 7 -6.866 -16.421 -3.465 1.00 0.00 N ATOM 0 H ASN A 7 -9.226 -15.182 -2.709 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.827 -13.892 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.393 -14.401 -4.556 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.020 -13.314 -4.620 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.275 -17.252 -3.483 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.728 -16.419 -2.920 1.00 0.00 H new ATOM 114 N LYS A 8 -9.263 -11.893 -3.032 1.00 0.00 N ATOM 115 CA LYS A 8 -9.708 -10.505 -3.043 1.00 0.00 C ATOM 116 C LYS A 8 -9.924 -9.992 -1.622 1.00 0.00 C ATOM 117 O LYS A 8 -9.728 -8.810 -1.342 1.00 0.00 O ATOM 118 CB LYS A 8 -11.001 -10.367 -3.849 1.00 0.00 C ATOM 119 CG LYS A 8 -11.467 -8.930 -4.011 1.00 0.00 C ATOM 120 CD LYS A 8 -12.967 -8.854 -4.245 1.00 0.00 C ATOM 121 CE LYS A 8 -13.362 -7.543 -4.905 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.735 -7.117 -4.520 1.00 0.00 N ATOM 0 H LYS A 8 -9.947 -12.558 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.930 -9.904 -3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.852 -10.805 -4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.787 -10.942 -3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.207 -8.359 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.943 -8.469 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.281 -9.688 -4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.490 -8.956 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.650 -6.767 -4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.306 -7.651 -5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.965 -6.219 -4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.419 -7.845 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.782 -6.989 -3.489 1.00 0.00 H new ATOM 136 N ASP A 9 -10.329 -10.890 -0.730 1.00 0.00 N ATOM 137 CA ASP A 9 -10.572 -10.529 0.662 1.00 0.00 C ATOM 138 C ASP A 9 -9.273 -10.130 1.355 1.00 0.00 C ATOM 139 O ASP A 9 -9.272 -9.299 2.263 1.00 0.00 O ATOM 140 CB ASP A 9 -11.224 -11.694 1.407 1.00 0.00 C ATOM 141 CG ASP A 9 -11.667 -11.311 2.806 1.00 0.00 C ATOM 142 OD1 ASP A 9 -10.827 -11.361 3.729 1.00 0.00 O ATOM 143 OD2 ASP A 9 -12.853 -10.960 2.978 1.00 0.00 O ATOM 0 H ASP A 9 -10.496 -11.873 -0.946 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.248 -9.674 0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.085 -12.047 0.840 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.519 -12.523 1.466 1.00 0.00 H new ATOM 148 N LEU A 10 -8.169 -10.729 0.921 1.00 0.00 N ATOM 149 CA LEU A 10 -6.864 -10.438 1.499 1.00 0.00 C ATOM 150 C LEU A 10 -6.411 -9.027 1.134 1.00 0.00 C ATOM 151 O LEU A 10 -5.948 -8.273 1.989 1.00 0.00 O ATOM 152 CB LEU A 10 -5.837 -11.463 1.015 1.00 0.00 C ATOM 153 CG LEU A 10 -5.338 -12.434 2.087 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.277 -13.362 1.515 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.793 -11.670 3.284 1.00 0.00 C ATOM 0 H LEU A 10 -8.153 -11.419 0.170 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.946 -10.500 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.277 -12.039 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.981 -10.930 0.602 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.179 -13.041 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.934 -14.045 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.701 -13.934 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.435 -12.772 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.442 -12.376 4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.964 -11.038 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.581 -11.048 3.708 1.00 0.00 H new ATOM 167 N ILE A 11 -6.548 -8.678 -0.141 1.00 0.00 N ATOM 168 CA ILE A 11 -6.154 -7.359 -0.619 1.00 0.00 C ATOM 169 C ILE A 11 -7.105 -6.284 -0.103 1.00 0.00 C ATOM 170 O ILE A 11 -6.690 -5.160 0.183 1.00 0.00 O ATOM 171 CB ILE A 11 -6.120 -7.303 -2.157 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.308 -8.474 -2.715 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.538 -5.978 -2.628 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.230 -8.493 -4.225 1.00 0.00 C ATOM 0 H ILE A 11 -6.929 -9.291 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.151 -7.170 -0.236 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.141 -7.382 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.298 -8.431 -2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.751 -9.409 -2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.521 -5.955 -3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.153 -5.158 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.522 -5.871 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.639 -9.350 -4.548 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.235 -8.568 -4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.759 -7.575 -4.577 1.00 0.00 H new ATOM 186 N SER A 12 -8.382 -6.635 0.015 1.00 0.00 N ATOM 187 CA SER A 12 -9.390 -5.700 0.498 1.00 0.00 C ATOM 188 C SER A 12 -9.039 -5.194 1.892 1.00 0.00 C ATOM 189 O SER A 12 -9.144 -4.000 2.176 1.00 0.00 O ATOM 190 CB SER A 12 -10.768 -6.364 0.515 1.00 0.00 C ATOM 191 OG SER A 12 -11.350 -6.364 -0.777 1.00 0.00 O ATOM 0 H SER A 12 -8.742 -7.560 -0.218 1.00 0.00 H new ATOM 0 HA SER A 12 -9.414 -4.849 -0.182 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.677 -7.388 0.876 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.420 -5.837 1.211 1.00 0.00 H new ATOM 0 HG SER A 12 -10.988 -7.111 -1.299 1.00 0.00 H new ATOM 197 N ALA A 13 -8.616 -6.109 2.760 1.00 0.00 N ATOM 198 CA ALA A 13 -8.246 -5.754 4.123 1.00 0.00 C ATOM 199 C ALA A 13 -7.096 -4.752 4.129 1.00 0.00 C ATOM 200 O ALA A 13 -7.130 -3.756 4.851 1.00 0.00 O ATOM 201 CB ALA A 13 -7.869 -7.000 4.910 1.00 0.00 C ATOM 0 H ALA A 13 -8.522 -7.101 2.542 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.107 -5.286 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.595 -6.719 5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.718 -7.683 4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.024 -7.492 4.429 1.00 0.00 H new ATOM 207 N GLY A 14 -6.080 -5.025 3.317 1.00 0.00 N ATOM 208 CA GLY A 14 -4.934 -4.139 3.238 1.00 0.00 C ATOM 209 C GLY A 14 -5.279 -2.804 2.606 1.00 0.00 C ATOM 210 O GLY A 14 -4.727 -1.771 2.983 1.00 0.00 O ATOM 0 H GLY A 14 -6.030 -5.845 2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.537 -3.972 4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.146 -4.620 2.659 1.00 0.00 H new ATOM 214 N LEU A 15 -6.195 -2.828 1.643 1.00 0.00 N ATOM 215 CA LEU A 15 -6.614 -1.611 0.956 1.00 0.00 C ATOM 216 C LEU A 15 -7.165 -0.588 1.946 1.00 0.00 C ATOM 217 O LEU A 15 -6.810 0.590 1.899 1.00 0.00 O ATOM 218 CB LEU A 15 -7.670 -1.939 -0.104 1.00 0.00 C ATOM 219 CG LEU A 15 -7.331 -1.471 -1.520 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.414 -1.901 -2.497 1.00 0.00 C ATOM 221 CD2 LEU A 15 -7.150 0.040 -1.552 1.00 0.00 C ATOM 0 H LEU A 15 -6.661 -3.676 1.321 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.741 -1.178 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.823 -3.018 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.616 -1.487 0.195 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.393 -1.936 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.156 -1.559 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.496 -2.988 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.367 -1.464 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.909 0.356 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.072 0.524 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.339 0.324 -0.882 1.00 0.00 H new ATOM 233 N LYS A 16 -8.033 -1.047 2.841 1.00 0.00 N ATOM 234 CA LYS A 16 -8.632 -0.173 3.843 1.00 0.00 C ATOM 235 C LYS A 16 -7.595 0.269 4.870 1.00 0.00 C ATOM 236 O LYS A 16 -7.661 1.380 5.395 1.00 0.00 O ATOM 237 CB LYS A 16 -9.790 -0.885 4.545 1.00 0.00 C ATOM 238 CG LYS A 16 -9.402 -2.224 5.152 1.00 0.00 C ATOM 239 CD LYS A 16 -10.448 -2.709 6.143 1.00 0.00 C ATOM 240 CE LYS A 16 -10.045 -2.399 7.575 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.575 -3.409 8.533 1.00 0.00 N ATOM 0 H LYS A 16 -8.337 -2.019 2.893 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.013 0.712 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.180 -0.238 5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.598 -1.040 3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.280 -2.962 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.439 -2.132 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.405 -2.237 5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.589 -3.784 6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.958 -2.366 7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.413 -1.410 7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.278 -3.161 9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.614 -3.423 8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.204 -4.349 8.287 1.00 0.00 H new ATOM 255 N GLU A 17 -6.637 -0.608 5.152 1.00 0.00 N ATOM 256 CA GLU A 17 -5.585 -0.309 6.116 1.00 0.00 C ATOM 257 C GLU A 17 -4.780 0.912 5.680 1.00 0.00 C ATOM 258 O GLU A 17 -4.367 1.723 6.509 1.00 0.00 O ATOM 259 CB GLU A 17 -4.658 -1.514 6.281 1.00 0.00 C ATOM 260 CG GLU A 17 -4.146 -1.697 7.701 1.00 0.00 C ATOM 261 CD GLU A 17 -3.617 -3.095 7.953 1.00 0.00 C ATOM 262 OE1 GLU A 17 -4.178 -4.055 7.382 1.00 0.00 O ATOM 263 OE2 GLU A 17 -2.644 -3.233 8.723 1.00 0.00 O ATOM 0 H GLU A 17 -6.568 -1.532 4.726 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.056 -0.089 7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.190 -2.415 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.808 -1.403 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.355 -0.973 7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.951 -1.485 8.404 1.00 0.00 H new ATOM 270 N PHE A 18 -4.561 1.034 4.375 1.00 0.00 N ATOM 271 CA PHE A 18 -3.805 2.156 3.830 1.00 0.00 C ATOM 272 C PHE A 18 -4.623 3.442 3.888 1.00 0.00 C ATOM 273 O PHE A 18 -4.081 4.524 4.113 1.00 0.00 O ATOM 274 CB PHE A 18 -3.393 1.865 2.386 1.00 0.00 C ATOM 275 CG PHE A 18 -2.028 2.387 2.034 1.00 0.00 C ATOM 276 CD1 PHE A 18 -0.898 1.622 2.273 1.00 0.00 C ATOM 277 CD2 PHE A 18 -1.878 3.641 1.466 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.359 2.099 1.951 1.00 0.00 C ATOM 279 CE2 PHE A 18 -0.624 4.123 1.141 1.00 0.00 C ATOM 280 CZ PHE A 18 0.496 3.351 1.384 1.00 0.00 C ATOM 0 H PHE A 18 -4.896 0.371 3.676 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.910 2.289 4.437 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.415 0.788 2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.127 2.306 1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.000 0.642 2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.750 4.249 1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.233 1.494 2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.520 5.102 0.697 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.477 3.726 1.131 1.00 0.00 H new ATOM 290 N SER A 19 -5.931 3.316 3.683 1.00 0.00 N ATOM 291 CA SER A 19 -6.823 4.468 3.712 1.00 0.00 C ATOM 292 C SER A 19 -6.901 5.062 5.116 1.00 0.00 C ATOM 293 O SER A 19 -6.723 6.266 5.301 1.00 0.00 O ATOM 294 CB SER A 19 -8.222 4.069 3.238 1.00 0.00 C ATOM 295 OG SER A 19 -8.908 5.178 2.681 1.00 0.00 O ATOM 0 H SER A 19 -6.395 2.428 3.495 1.00 0.00 H new ATOM 0 HA SER A 19 -6.420 5.224 3.038 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.145 3.275 2.495 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.793 3.668 4.076 1.00 0.00 H new ATOM 0 HG SER A 19 -9.799 4.896 2.384 1.00 0.00 H new ATOM 301 N VAL A 20 -7.167 4.210 6.100 1.00 0.00 N ATOM 302 CA VAL A 20 -7.269 4.651 7.485 1.00 0.00 C ATOM 303 C VAL A 20 -5.937 5.200 7.983 1.00 0.00 C ATOM 304 O VAL A 20 -5.882 6.261 8.607 1.00 0.00 O ATOM 305 CB VAL A 20 -7.727 3.501 8.407 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.636 2.449 8.562 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.152 4.042 9.764 1.00 0.00 C ATOM 0 H VAL A 20 -7.316 3.210 5.964 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.016 5.444 7.516 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.587 3.020 7.942 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.989 1.652 9.217 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.390 2.033 7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.747 2.908 8.995 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.472 3.217 10.401 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.311 4.556 10.230 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.978 4.741 9.634 1.00 0.00 H new ATOM 317 N LEU A 21 -4.867 4.468 7.700 1.00 0.00 N ATOM 318 CA LEU A 21 -3.529 4.874 8.115 1.00 0.00 C ATOM 319 C LEU A 21 -3.172 6.242 7.543 1.00 0.00 C ATOM 320 O LEU A 21 -2.501 7.043 8.195 1.00 0.00 O ATOM 321 CB LEU A 21 -2.497 3.837 7.667 1.00 0.00 C ATOM 322 CG LEU A 21 -1.148 3.913 8.384 1.00 0.00 C ATOM 323 CD1 LEU A 21 -1.178 3.096 9.665 1.00 0.00 C ATOM 324 CD2 LEU A 21 -0.031 3.433 7.469 1.00 0.00 C ATOM 0 H LEU A 21 -4.899 3.589 7.184 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.519 4.942 9.203 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.916 2.842 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.329 3.953 6.596 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.955 4.953 8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.210 3.162 10.161 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.952 3.485 10.326 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.394 2.054 9.427 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.922 3.494 7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.219 2.400 7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.005 4.061 6.579 1.00 0.00 H new ATOM 336 N LEU A 22 -3.625 6.504 6.322 1.00 0.00 N ATOM 337 CA LEU A 22 -3.354 7.775 5.662 1.00 0.00 C ATOM 338 C LEU A 22 -4.180 8.898 6.283 1.00 0.00 C ATOM 339 O LEU A 22 -3.711 10.028 6.413 1.00 0.00 O ATOM 340 CB LEU A 22 -3.657 7.673 4.165 1.00 0.00 C ATOM 341 CG LEU A 22 -2.611 6.918 3.344 1.00 0.00 C ATOM 342 CD1 LEU A 22 -3.142 6.619 1.951 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.319 7.717 3.265 1.00 0.00 C ATOM 0 H LEU A 22 -4.182 5.852 5.769 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.297 8.007 5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.621 7.181 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.757 8.680 3.760 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.399 5.971 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.385 6.081 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.041 6.007 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.382 7.554 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.585 7.165 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.514 8.679 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.930 7.880 4.270 1.00 0.00 H new ATOM 355 N ASN A 23 -5.411 8.576 6.667 1.00 0.00 N ATOM 356 CA ASN A 23 -6.303 9.556 7.276 1.00 0.00 C ATOM 357 C ASN A 23 -5.704 10.113 8.563 1.00 0.00 C ATOM 358 O ASN A 23 -5.972 11.254 8.941 1.00 0.00 O ATOM 359 CB ASN A 23 -7.666 8.924 7.567 1.00 0.00 C ATOM 360 CG ASN A 23 -8.811 9.894 7.347 1.00 0.00 C ATOM 361 OD1 ASN A 23 -9.110 10.274 6.215 1.00 0.00 O ATOM 362 ND2 ASN A 23 -9.458 10.301 8.433 1.00 0.00 N ATOM 0 H ASN A 23 -5.814 7.644 6.567 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.433 10.378 6.572 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.804 8.052 6.927 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.687 8.569 8.597 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.237 10.954 8.348 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.176 9.960 9.352 1.00 0.00 H new ATOM 369 N GLN A 24 -4.890 9.303 9.232 1.00 0.00 N ATOM 370 CA GLN A 24 -4.253 9.716 10.478 1.00 0.00 C ATOM 371 C GLN A 24 -3.337 10.914 10.250 1.00 0.00 C ATOM 372 O GLN A 24 -3.150 11.742 11.141 1.00 0.00 O ATOM 373 CB GLN A 24 -3.457 8.556 11.077 1.00 0.00 C ATOM 374 CG GLN A 24 -3.527 8.489 12.594 1.00 0.00 C ATOM 375 CD GLN A 24 -3.545 7.064 13.114 1.00 0.00 C ATOM 376 OE1 GLN A 24 -4.606 6.458 13.259 1.00 0.00 O ATOM 377 NE2 GLN A 24 -2.366 6.523 13.397 1.00 0.00 N ATOM 0 H GLN A 24 -4.656 8.357 8.932 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.036 10.009 11.178 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.829 7.619 10.663 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.414 8.647 10.773 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.672 9.016 13.017 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.422 9.008 12.936 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.511 7.063 13.261 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.315 5.567 13.750 1.00 0.00 H new ATOM 386 N GLN A 25 -2.768 11.000 9.052 1.00 0.00 N ATOM 387 CA GLN A 25 -1.871 12.097 8.708 1.00 0.00 C ATOM 388 C GLN A 25 -2.581 13.441 8.838 1.00 0.00 C ATOM 389 O GLN A 25 -3.754 13.571 8.491 1.00 0.00 O ATOM 390 CB GLN A 25 -1.341 11.923 7.283 1.00 0.00 C ATOM 391 CG GLN A 25 -0.310 10.816 7.148 1.00 0.00 C ATOM 392 CD GLN A 25 1.053 11.220 7.677 1.00 0.00 C ATOM 393 OE1 GLN A 25 1.602 12.251 7.288 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.607 10.407 8.569 1.00 0.00 N ATOM 0 H GLN A 25 -2.912 10.323 8.303 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.033 12.080 9.405 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.177 11.712 6.617 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.898 12.862 6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.657 9.934 7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.220 10.535 6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.116 9.563 8.863 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.523 10.627 8.960 1.00 0.00 H new ATOM 403 N VAL A 26 -1.860 14.438 9.342 1.00 0.00 N ATOM 404 CA VAL A 26 -2.422 15.772 9.517 1.00 0.00 C ATOM 405 C VAL A 26 -1.909 16.732 8.449 1.00 0.00 C ATOM 406 O VAL A 26 -2.635 17.613 7.992 1.00 0.00 O ATOM 407 CB VAL A 26 -2.088 16.344 10.907 1.00 0.00 C ATOM 408 CG1 VAL A 26 -2.846 17.639 11.150 1.00 0.00 C ATOM 409 CG2 VAL A 26 -2.397 15.325 11.994 1.00 0.00 C ATOM 0 H VAL A 26 -0.887 14.347 9.636 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.503 15.673 9.422 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.021 16.564 10.940 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.596 18.027 12.138 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.568 18.371 10.392 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.918 17.449 11.095 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.154 15.748 12.969 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.456 15.070 11.963 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.802 14.426 11.830 1.00 0.00 H new ATOM 419 N PHE A 27 -0.651 16.555 8.056 1.00 0.00 N ATOM 420 CA PHE A 27 -0.041 17.406 7.042 1.00 0.00 C ATOM 421 C PHE A 27 -0.022 18.863 7.494 1.00 0.00 C ATOM 422 O PHE A 27 -1.017 19.576 7.364 1.00 0.00 O ATOM 423 CB PHE A 27 -0.798 17.281 5.719 1.00 0.00 C ATOM 424 CG PHE A 27 -1.098 15.863 5.329 1.00 0.00 C ATOM 425 CD1 PHE A 27 -2.260 15.243 5.760 1.00 0.00 C ATOM 426 CD2 PHE A 27 -0.218 15.148 4.532 1.00 0.00 C ATOM 427 CE1 PHE A 27 -2.539 13.937 5.404 1.00 0.00 C ATOM 428 CE2 PHE A 27 -0.492 13.842 4.172 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.654 13.236 4.609 1.00 0.00 C ATOM 0 H PHE A 27 -0.035 15.830 8.425 1.00 0.00 H new ATOM 0 HA PHE A 27 0.988 17.076 6.897 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.734 17.834 5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.211 17.750 4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.956 15.787 6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.692 15.617 4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.448 13.465 5.747 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.202 13.296 3.550 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.870 12.215 4.329 1.00 0.00 H new ATOM 439 N ASN A 28 1.116 19.298 8.026 1.00 0.00 N ATOM 440 CA ASN A 28 1.263 20.670 8.498 1.00 0.00 C ATOM 441 C ASN A 28 2.684 20.932 8.988 1.00 0.00 C ATOM 442 O ASN A 28 3.233 22.013 8.775 1.00 0.00 O ATOM 443 CB ASN A 28 0.264 20.954 9.622 1.00 0.00 C ATOM 444 CG ASN A 28 0.289 19.889 10.700 1.00 0.00 C ATOM 445 OD1 ASN A 28 -0.085 18.740 10.463 1.00 0.00 O ATOM 446 ND2 ASN A 28 0.731 20.266 11.895 1.00 0.00 N ATOM 0 H ASN A 28 1.949 18.721 8.141 1.00 0.00 H new ATOM 0 HA ASN A 28 1.060 21.338 7.661 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.488 21.923 10.067 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.740 21.020 9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.770 19.593 12.660 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.031 21.229 12.047 1.00 0.00 H new ATOM 453 N ASP A 29 3.273 19.939 9.646 1.00 0.00 N ATOM 454 CA ASP A 29 4.630 20.066 10.168 1.00 0.00 C ATOM 455 C ASP A 29 5.517 18.943 9.699 1.00 0.00 C ATOM 456 O ASP A 29 6.246 18.347 10.493 1.00 0.00 O ATOM 457 CB ASP A 29 4.612 20.128 11.697 1.00 0.00 C ATOM 458 CG ASP A 29 5.831 20.832 12.261 1.00 0.00 C ATOM 459 OD1 ASP A 29 6.884 20.175 12.402 1.00 0.00 O ATOM 460 OD2 ASP A 29 5.733 22.040 12.562 1.00 0.00 O ATOM 0 H ASP A 29 2.833 19.038 9.831 1.00 0.00 H new ATOM 0 HA ASP A 29 5.044 20.997 9.780 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.712 20.646 12.026 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.562 19.116 12.098 1.00 0.00 H new ATOM 465 N PRO A 30 5.517 18.657 8.391 1.00 0.00 N ATOM 466 CA PRO A 30 6.380 17.631 7.872 1.00 0.00 C ATOM 467 C PRO A 30 7.785 18.179 7.692 1.00 0.00 C ATOM 468 O PRO A 30 8.010 19.139 6.954 1.00 0.00 O ATOM 469 CB PRO A 30 5.749 17.305 6.521 1.00 0.00 C ATOM 470 CG PRO A 30 5.138 18.592 6.077 1.00 0.00 C ATOM 471 CD PRO A 30 4.734 19.326 7.334 1.00 0.00 C ATOM 0 HA PRO A 30 6.470 16.760 8.522 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.495 16.953 5.809 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.999 16.519 6.612 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.848 19.179 5.495 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.274 18.412 5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.970 20.388 7.272 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.662 19.247 7.518 1.00 0.00 H new ATOM 479 N LEU A 31 8.715 17.556 8.377 1.00 0.00 N ATOM 480 CA LEU A 31 10.117 17.953 8.321 1.00 0.00 C ATOM 481 C LEU A 31 10.878 17.122 7.293 1.00 0.00 C ATOM 482 O LEU A 31 11.834 17.597 6.681 1.00 0.00 O ATOM 483 CB LEU A 31 10.765 17.802 9.699 1.00 0.00 C ATOM 484 CG LEU A 31 10.686 19.042 10.591 1.00 0.00 C ATOM 485 CD1 LEU A 31 11.496 20.181 9.992 1.00 0.00 C ATOM 486 CD2 LEU A 31 9.239 19.462 10.792 1.00 0.00 C ATOM 0 H LEU A 31 8.530 16.761 8.989 1.00 0.00 H new ATOM 0 HA LEU A 31 10.162 18.999 8.018 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.290 16.969 10.218 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.814 17.537 9.563 1.00 0.00 H new ATOM 0 HG LEU A 31 11.110 18.795 11.564 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.429 21.055 10.640 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.539 19.877 9.900 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.102 20.428 9.006 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.202 20.346 11.429 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.789 19.692 9.826 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.687 18.650 11.265 1.00 0.00 H new ATOM 498 N VAL A 32 10.447 15.878 7.108 1.00 0.00 N ATOM 499 CA VAL A 32 11.087 14.981 6.155 1.00 0.00 C ATOM 500 C VAL A 32 10.859 15.449 4.722 1.00 0.00 C ATOM 501 O VAL A 32 9.732 15.752 4.329 1.00 0.00 O ATOM 502 CB VAL A 32 10.566 13.539 6.301 1.00 0.00 C ATOM 503 CG1 VAL A 32 11.381 12.586 5.442 1.00 0.00 C ATOM 504 CG2 VAL A 32 10.589 13.108 7.760 1.00 0.00 C ATOM 0 H VAL A 32 9.657 15.469 7.606 1.00 0.00 H new ATOM 0 HA VAL A 32 12.154 14.997 6.375 1.00 0.00 H new ATOM 0 HB VAL A 32 9.533 13.509 5.954 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.998 11.572 5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.306 12.884 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.425 12.617 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.217 12.087 7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.611 13.154 8.137 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.955 13.774 8.346 1.00 0.00 H new ATOM 514 N SER A 33 11.936 15.507 3.945 1.00 0.00 N ATOM 515 CA SER A 33 11.853 15.938 2.554 1.00 0.00 C ATOM 516 C SER A 33 10.947 15.011 1.750 1.00 0.00 C ATOM 517 O SER A 33 10.561 13.941 2.221 1.00 0.00 O ATOM 518 CB SER A 33 13.247 15.978 1.927 1.00 0.00 C ATOM 519 OG SER A 33 13.350 17.026 0.979 1.00 0.00 O ATOM 0 H SER A 33 12.876 15.261 4.255 1.00 0.00 H new ATOM 0 HA SER A 33 11.425 16.940 2.535 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.996 16.114 2.707 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.459 15.024 1.444 1.00 0.00 H new ATOM 0 HG SER A 33 14.251 17.031 0.594 1.00 0.00 H new ATOM 525 N GLU A 34 10.613 15.428 0.532 1.00 0.00 N ATOM 526 CA GLU A 34 9.753 14.635 -0.338 1.00 0.00 C ATOM 527 C GLU A 34 10.468 13.372 -0.805 1.00 0.00 C ATOM 528 O GLU A 34 9.838 12.339 -1.034 1.00 0.00 O ATOM 529 CB GLU A 34 9.315 15.464 -1.547 1.00 0.00 C ATOM 530 CG GLU A 34 10.474 16.014 -2.361 1.00 0.00 C ATOM 531 CD GLU A 34 10.809 17.449 -2.000 1.00 0.00 C ATOM 532 OE1 GLU A 34 9.869 18.234 -1.754 1.00 0.00 O ATOM 533 OE2 GLU A 34 12.011 17.787 -1.965 1.00 0.00 O ATOM 0 H GLU A 34 10.925 16.310 0.126 1.00 0.00 H new ATOM 0 HA GLU A 34 8.872 14.341 0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.689 14.847 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.698 16.294 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.353 15.389 -2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.228 15.958 -3.421 1.00 0.00 H new ATOM 540 N GLU A 35 11.787 13.460 -0.944 1.00 0.00 N ATOM 541 CA GLU A 35 12.587 12.322 -1.383 1.00 0.00 C ATOM 542 C GLU A 35 12.596 11.223 -0.327 1.00 0.00 C ATOM 543 O GLU A 35 12.342 10.057 -0.628 1.00 0.00 O ATOM 544 CB GLU A 35 14.019 12.767 -1.688 1.00 0.00 C ATOM 545 CG GLU A 35 14.705 11.923 -2.750 1.00 0.00 C ATOM 546 CD GLU A 35 15.821 12.670 -3.455 1.00 0.00 C ATOM 547 OE1 GLU A 35 15.686 13.897 -3.648 1.00 0.00 O ATOM 548 OE2 GLU A 35 16.830 12.027 -3.813 1.00 0.00 O ATOM 0 H GLU A 35 12.324 14.307 -0.759 1.00 0.00 H new ATOM 0 HA GLU A 35 12.137 11.922 -2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.006 13.807 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.606 12.729 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.110 11.023 -2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.968 11.600 -3.485 1.00 0.00 H new ATOM 555 N ASP A 36 12.891 11.603 0.913 1.00 0.00 N ATOM 556 CA ASP A 36 12.934 10.649 2.015 1.00 0.00 C ATOM 557 C ASP A 36 11.578 9.988 2.221 1.00 0.00 C ATOM 558 O ASP A 36 11.487 8.867 2.721 1.00 0.00 O ATOM 559 CB ASP A 36 13.383 11.340 3.304 1.00 0.00 C ATOM 560 CG ASP A 36 14.885 11.273 3.502 1.00 0.00 C ATOM 561 OD1 ASP A 36 15.623 11.749 2.615 1.00 0.00 O ATOM 562 OD2 ASP A 36 15.322 10.743 4.545 1.00 0.00 O ATOM 0 H ASP A 36 13.104 12.564 1.179 1.00 0.00 H new ATOM 0 HA ASP A 36 13.657 9.874 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.068 12.383 3.283 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.886 10.874 4.155 1.00 0.00 H new ATOM 567 N MET A 37 10.532 10.695 1.831 1.00 0.00 N ATOM 568 CA MET A 37 9.170 10.193 1.965 1.00 0.00 C ATOM 569 C MET A 37 8.910 9.056 0.982 1.00 0.00 C ATOM 570 O MET A 37 8.127 8.148 1.260 1.00 0.00 O ATOM 571 CB MET A 37 8.163 11.321 1.737 1.00 0.00 C ATOM 572 CG MET A 37 6.931 11.225 2.621 1.00 0.00 C ATOM 573 SD MET A 37 7.036 12.283 4.077 1.00 0.00 S ATOM 574 CE MET A 37 7.151 13.899 3.313 1.00 0.00 C ATOM 0 H MET A 37 10.598 11.624 1.416 1.00 0.00 H new ATOM 0 HA MET A 37 9.050 9.808 2.978 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.655 12.277 1.916 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.852 11.313 0.692 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.050 11.499 2.041 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.795 10.191 2.937 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.736 14.650 3.986 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.196 14.132 3.110 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.591 13.900 2.378 1.00 0.00 H new ATOM 584 N VAL A 38 9.571 9.113 -0.170 1.00 0.00 N ATOM 585 CA VAL A 38 9.411 8.088 -1.195 1.00 0.00 C ATOM 586 C VAL A 38 9.877 6.728 -0.687 1.00 0.00 C ATOM 587 O VAL A 38 9.167 5.730 -0.815 1.00 0.00 O ATOM 588 CB VAL A 38 10.194 8.444 -2.473 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.894 7.445 -3.581 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.870 9.861 -2.924 1.00 0.00 C ATOM 0 H VAL A 38 10.222 9.858 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 38 8.348 8.040 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 38 11.259 8.394 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.456 7.714 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.183 6.445 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.827 7.460 -3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.433 10.093 -3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.803 9.942 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.142 10.564 -2.137 1.00 0.00 H new ATOM 600 N THR A 39 11.075 6.695 -0.113 1.00 0.00 N ATOM 601 CA THR A 39 11.637 5.456 0.412 1.00 0.00 C ATOM 602 C THR A 39 10.745 4.874 1.504 1.00 0.00 C ATOM 603 O THR A 39 10.672 3.657 1.676 1.00 0.00 O ATOM 604 CB THR A 39 13.043 5.702 0.963 1.00 0.00 C ATOM 605 OG1 THR A 39 13.600 4.502 1.469 1.00 0.00 O ATOM 606 CG2 THR A 39 13.079 6.729 2.073 1.00 0.00 C ATOM 0 H THR A 39 11.675 7.512 0.000 1.00 0.00 H new ATOM 0 HA THR A 39 11.695 4.738 -0.406 1.00 0.00 H new ATOM 0 HB THR A 39 13.621 6.081 0.121 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.499 4.679 1.815 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.105 6.856 2.418 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.701 7.681 1.700 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.456 6.391 2.902 1.00 0.00 H new ATOM 614 N VAL A 40 10.069 5.750 2.238 1.00 0.00 N ATOM 615 CA VAL A 40 9.181 5.323 3.313 1.00 0.00 C ATOM 616 C VAL A 40 7.985 4.555 2.763 1.00 0.00 C ATOM 617 O VAL A 40 7.657 3.470 3.242 1.00 0.00 O ATOM 618 CB VAL A 40 8.675 6.523 4.136 1.00 0.00 C ATOM 619 CG1 VAL A 40 7.879 6.049 5.343 1.00 0.00 C ATOM 620 CG2 VAL A 40 9.837 7.405 4.569 1.00 0.00 C ATOM 0 H VAL A 40 10.119 6.761 2.108 1.00 0.00 H new ATOM 0 HA VAL A 40 9.762 4.669 3.963 1.00 0.00 H new ATOM 0 HB VAL A 40 8.014 7.117 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.531 6.912 5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.022 5.466 5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.514 5.430 5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.458 8.247 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.527 6.824 5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.359 7.777 3.688 1.00 0.00 H new ATOM 630 N VAL A 41 7.336 5.127 1.753 1.00 0.00 N ATOM 631 CA VAL A 41 6.175 4.496 1.138 1.00 0.00 C ATOM 632 C VAL A 41 6.546 3.155 0.514 1.00 0.00 C ATOM 633 O VAL A 41 5.732 2.232 0.474 1.00 0.00 O ATOM 634 CB VAL A 41 5.554 5.398 0.054 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.237 4.817 -0.435 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.359 6.810 0.583 1.00 0.00 C ATOM 0 H VAL A 41 7.595 6.025 1.344 1.00 0.00 H new ATOM 0 HA VAL A 41 5.444 4.337 1.931 1.00 0.00 H new ATOM 0 HB VAL A 41 6.240 5.443 -0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.814 5.468 -1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.410 3.827 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.541 4.739 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.920 7.433 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.695 6.786 1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.323 7.224 0.878 1.00 0.00 H new ATOM 646 N GLU A 42 7.778 3.055 0.026 1.00 0.00 N ATOM 647 CA GLU A 42 8.257 1.826 -0.597 1.00 0.00 C ATOM 648 C GLU A 42 8.473 0.735 0.447 1.00 0.00 C ATOM 649 O GLU A 42 8.001 -0.390 0.291 1.00 0.00 O ATOM 650 CB GLU A 42 9.559 2.088 -1.355 1.00 0.00 C ATOM 651 CG GLU A 42 9.394 3.027 -2.539 1.00 0.00 C ATOM 652 CD GLU A 42 9.309 2.288 -3.861 1.00 0.00 C ATOM 653 OE1 GLU A 42 10.365 1.859 -4.371 1.00 0.00 O ATOM 654 OE2 GLU A 42 8.185 2.141 -4.386 1.00 0.00 O ATOM 0 H GLU A 42 8.463 3.810 0.050 1.00 0.00 H new ATOM 0 HA GLU A 42 7.498 1.485 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.292 2.509 -0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.962 1.139 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.492 3.624 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.234 3.721 -2.568 1.00 0.00 H new ATOM 661 N ASP A 43 9.191 1.077 1.512 1.00 0.00 N ATOM 662 CA ASP A 43 9.470 0.127 2.583 1.00 0.00 C ATOM 663 C ASP A 43 8.194 -0.232 3.338 1.00 0.00 C ATOM 664 O ASP A 43 8.046 -1.351 3.828 1.00 0.00 O ATOM 665 CB ASP A 43 10.504 0.706 3.551 1.00 0.00 C ATOM 666 CG ASP A 43 11.460 -0.347 4.074 1.00 0.00 C ATOM 667 OD1 ASP A 43 12.166 -0.968 3.251 1.00 0.00 O ATOM 668 OD2 ASP A 43 11.504 -0.552 5.305 1.00 0.00 O ATOM 0 H ASP A 43 9.590 2.005 1.656 1.00 0.00 H new ATOM 0 HA ASP A 43 9.872 -0.781 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.071 1.489 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.990 1.175 4.390 1.00 0.00 H new ATOM 673 N TRP A 44 7.276 0.725 3.426 1.00 0.00 N ATOM 674 CA TRP A 44 6.013 0.510 4.120 1.00 0.00 C ATOM 675 C TRP A 44 5.225 -0.628 3.478 1.00 0.00 C ATOM 676 O TRP A 44 4.764 -1.541 4.161 1.00 0.00 O ATOM 677 CB TRP A 44 5.178 1.793 4.114 1.00 0.00 C ATOM 678 CG TRP A 44 5.333 2.611 5.361 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.386 2.589 6.230 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.405 3.571 5.876 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.168 3.478 7.255 1.00 0.00 N ATOM 682 CE2 TRP A 44 4.959 4.092 7.061 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.158 4.042 5.452 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.310 5.060 7.824 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.516 5.002 6.210 1.00 0.00 C ATOM 686 CH2 TRP A 44 3.092 5.503 7.385 1.00 0.00 C ATOM 0 H TRP A 44 7.384 1.657 3.025 1.00 0.00 H new ATOM 0 HA TRP A 44 6.236 0.236 5.151 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.462 2.399 3.254 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.127 1.533 3.987 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.261 1.965 6.127 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.803 3.652 8.034 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.705 3.662 4.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.752 5.447 8.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.553 5.373 5.891 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.564 6.253 7.955 1.00 0.00 H new ATOM 697 N MET A 45 5.078 -0.566 2.159 1.00 0.00 N ATOM 698 CA MET A 45 4.347 -1.590 1.422 1.00 0.00 C ATOM 699 C MET A 45 5.068 -2.933 1.500 1.00 0.00 C ATOM 700 O MET A 45 4.436 -3.981 1.631 1.00 0.00 O ATOM 701 CB MET A 45 4.177 -1.174 -0.041 1.00 0.00 C ATOM 702 CG MET A 45 5.484 -0.802 -0.722 1.00 0.00 C ATOM 703 SD MET A 45 5.303 -0.597 -2.505 1.00 0.00 S ATOM 704 CE MET A 45 3.799 0.371 -2.584 1.00 0.00 C ATOM 0 H MET A 45 5.455 0.183 1.578 1.00 0.00 H new ATOM 0 HA MET A 45 3.363 -1.697 1.878 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.710 -1.991 -0.591 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.495 -0.325 -0.092 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.864 0.124 -0.290 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.226 -1.575 -0.522 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.800 0.971 -3.494 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.937 -0.296 -2.589 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.744 1.029 -1.716 1.00 0.00 H new ATOM 714 N ASN A 46 6.394 -2.892 1.420 1.00 0.00 N ATOM 715 CA ASN A 46 7.201 -4.106 1.482 1.00 0.00 C ATOM 716 C ASN A 46 6.976 -4.842 2.798 1.00 0.00 C ATOM 717 O ASN A 46 7.054 -6.070 2.856 1.00 0.00 O ATOM 718 CB ASN A 46 8.683 -3.765 1.321 1.00 0.00 C ATOM 719 CG ASN A 46 9.561 -5.001 1.281 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.065 -6.124 1.184 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.871 -4.799 1.356 1.00 0.00 N ATOM 0 H ASN A 46 6.932 -2.032 1.312 1.00 0.00 H new ATOM 0 HA ASN A 46 6.895 -4.759 0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.824 -3.193 0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.998 -3.126 2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.511 -5.593 1.334 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.237 -3.850 1.435 1.00 0.00 H new ATOM 728 N PHE A 47 6.698 -4.085 3.854 1.00 0.00 N ATOM 729 CA PHE A 47 6.461 -4.665 5.170 1.00 0.00 C ATOM 730 C PHE A 47 5.103 -5.357 5.224 1.00 0.00 C ATOM 731 O PHE A 47 4.968 -6.436 5.801 1.00 0.00 O ATOM 732 CB PHE A 47 6.536 -3.583 6.249 1.00 0.00 C ATOM 733 CG PHE A 47 7.152 -4.057 7.535 1.00 0.00 C ATOM 734 CD1 PHE A 47 6.403 -4.775 8.454 1.00 0.00 C ATOM 735 CD2 PHE A 47 8.480 -3.786 7.824 1.00 0.00 C ATOM 736 CE1 PHE A 47 6.967 -5.212 9.637 1.00 0.00 C ATOM 737 CE2 PHE A 47 9.049 -4.222 9.006 1.00 0.00 C ATOM 738 CZ PHE A 47 8.292 -4.935 9.913 1.00 0.00 C ATOM 0 H PHE A 47 6.631 -3.068 3.824 1.00 0.00 H new ATOM 0 HA PHE A 47 7.236 -5.409 5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.114 -2.741 5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.531 -3.214 6.452 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.367 -4.995 8.243 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.077 -3.228 7.118 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.373 -5.770 10.345 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.085 -4.005 9.219 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.735 -5.276 10.837 1.00 0.00 H new ATOM 748 N TYR A 48 4.100 -4.730 4.618 1.00 0.00 N ATOM 749 CA TYR A 48 2.752 -5.286 4.597 1.00 0.00 C ATOM 750 C TYR A 48 2.709 -6.577 3.785 1.00 0.00 C ATOM 751 O TYR A 48 2.031 -7.534 4.158 1.00 0.00 O ATOM 752 CB TYR A 48 1.768 -4.270 4.013 1.00 0.00 C ATOM 753 CG TYR A 48 1.374 -3.181 4.984 1.00 0.00 C ATOM 754 CD1 TYR A 48 2.338 -2.458 5.678 1.00 0.00 C ATOM 755 CD2 TYR A 48 0.038 -2.873 5.209 1.00 0.00 C ATOM 756 CE1 TYR A 48 1.982 -1.462 6.565 1.00 0.00 C ATOM 757 CE2 TYR A 48 -0.326 -1.878 6.095 1.00 0.00 C ATOM 758 CZ TYR A 48 0.649 -1.176 6.770 1.00 0.00 C ATOM 759 OH TYR A 48 0.290 -0.184 7.654 1.00 0.00 O ATOM 0 H TYR A 48 4.195 -3.837 4.135 1.00 0.00 H new ATOM 0 HA TYR A 48 2.463 -5.513 5.623 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.213 -3.813 3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.871 -4.794 3.684 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.383 -2.680 5.520 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.729 -3.421 4.682 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.744 -0.910 7.096 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.369 -1.651 6.258 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.687 -0.108 7.682 1.00 0.00 H new ATOM 769 N ILE A 49 3.438 -6.595 2.674 1.00 0.00 N ATOM 770 CA ILE A 49 3.483 -7.768 1.810 1.00 0.00 C ATOM 771 C ILE A 49 4.149 -8.945 2.517 1.00 0.00 C ATOM 772 O ILE A 49 3.785 -10.100 2.296 1.00 0.00 O ATOM 773 CB ILE A 49 4.243 -7.472 0.501 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.669 -6.226 -0.177 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.177 -8.669 -0.437 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.694 -5.441 -0.965 1.00 0.00 C ATOM 0 H ILE A 49 4.005 -5.811 2.351 1.00 0.00 H new ATOM 0 HA ILE A 49 2.451 -8.027 1.572 1.00 0.00 H new ATOM 0 HB ILE A 49 5.289 -7.284 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.861 -6.525 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.232 -5.578 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.719 -8.442 -1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.629 -9.535 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.136 -8.888 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.217 -4.572 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.491 -5.111 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.114 -6.073 -1.747 1.00 0.00 H new ATOM 788 N ASN A 50 5.124 -8.643 3.367 1.00 0.00 N ATOM 789 CA ASN A 50 5.839 -9.676 4.108 1.00 0.00 C ATOM 790 C ASN A 50 4.890 -10.455 5.014 1.00 0.00 C ATOM 791 O ASN A 50 4.938 -11.684 5.070 1.00 0.00 O ATOM 792 CB ASN A 50 6.960 -9.052 4.940 1.00 0.00 C ATOM 793 CG ASN A 50 8.266 -8.962 4.177 1.00 0.00 C ATOM 794 OD1 ASN A 50 8.925 -10.100 3.995 1.00 0.00 O flip ATOM 795 ND2 ASN A 50 8.679 -7.882 3.754 1.00 0.00 N flip ATOM 0 H ASN A 50 5.437 -7.692 3.560 1.00 0.00 H new ATOM 0 HA ASN A 50 6.273 -10.369 3.387 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.659 -8.054 5.259 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.110 -9.643 5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.140 -7.031 3.916 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.560 -7.838 3.241 1.00 0.00 H new ATOM 802 N TYR A 51 4.029 -9.731 5.722 1.00 0.00 N ATOM 803 CA TYR A 51 3.070 -10.354 6.626 1.00 0.00 C ATOM 804 C TYR A 51 1.930 -11.007 5.849 1.00 0.00 C ATOM 805 O TYR A 51 1.368 -12.012 6.281 1.00 0.00 O ATOM 806 CB TYR A 51 2.509 -9.316 7.602 1.00 0.00 C ATOM 807 CG TYR A 51 3.230 -9.286 8.932 1.00 0.00 C ATOM 808 CD1 TYR A 51 2.879 -10.161 9.953 1.00 0.00 C ATOM 809 CD2 TYR A 51 4.258 -8.382 9.166 1.00 0.00 C ATOM 810 CE1 TYR A 51 3.534 -10.137 11.169 1.00 0.00 C ATOM 811 CE2 TYR A 51 4.918 -8.352 10.380 1.00 0.00 C ATOM 812 CZ TYR A 51 4.553 -9.230 11.378 1.00 0.00 C ATOM 813 OH TYR A 51 5.207 -9.203 12.588 1.00 0.00 O ATOM 0 H TYR A 51 3.976 -8.713 5.687 1.00 0.00 H new ATOM 0 HA TYR A 51 3.591 -11.129 7.189 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.568 -8.329 7.144 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.453 -9.525 7.775 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.081 -10.871 9.793 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.546 -7.692 8.387 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.250 -10.824 11.952 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.716 -7.644 10.546 1.00 0.00 H new ATOM 0 HH TYR A 51 5.898 -8.508 12.571 1.00 0.00 H new ATOM 823 N TYR A 52 1.596 -10.428 4.700 1.00 0.00 N ATOM 824 CA TYR A 52 0.524 -10.954 3.864 1.00 0.00 C ATOM 825 C TYR A 52 0.956 -12.243 3.173 1.00 0.00 C ATOM 826 O TYR A 52 0.148 -13.148 2.964 1.00 0.00 O ATOM 827 CB TYR A 52 0.106 -9.917 2.820 1.00 0.00 C ATOM 828 CG TYR A 52 -0.733 -8.792 3.385 1.00 0.00 C ATOM 829 CD1 TYR A 52 -1.779 -9.052 4.260 1.00 0.00 C ATOM 830 CD2 TYR A 52 -0.478 -7.471 3.041 1.00 0.00 C ATOM 831 CE1 TYR A 52 -2.548 -8.027 4.777 1.00 0.00 C ATOM 832 CE2 TYR A 52 -1.242 -6.440 3.554 1.00 0.00 C ATOM 833 CZ TYR A 52 -2.275 -6.723 4.422 1.00 0.00 C ATOM 834 OH TYR A 52 -3.038 -5.700 4.935 1.00 0.00 O ATOM 0 H TYR A 52 2.052 -9.595 4.327 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.328 -11.175 4.507 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.000 -9.496 2.360 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.455 -10.415 2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.995 -10.072 4.541 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.331 -7.246 2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.359 -8.246 5.456 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.031 -5.418 3.276 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.582 -4.845 4.786 1.00 0.00 H new ATOM 844 N ARG A 53 2.234 -12.318 2.816 1.00 0.00 N ATOM 845 CA ARG A 53 2.775 -13.495 2.146 1.00 0.00 C ATOM 846 C ARG A 53 2.780 -14.704 3.077 1.00 0.00 C ATOM 847 O ARG A 53 2.667 -15.844 2.628 1.00 0.00 O ATOM 848 CB ARG A 53 4.193 -13.216 1.645 1.00 0.00 C ATOM 849 CG ARG A 53 4.495 -13.845 0.295 1.00 0.00 C ATOM 850 CD ARG A 53 5.387 -12.949 -0.550 1.00 0.00 C ATOM 851 NE ARG A 53 6.277 -13.720 -1.414 1.00 0.00 N ATOM 852 CZ ARG A 53 6.882 -13.222 -2.490 1.00 0.00 C ATOM 853 NH1 ARG A 53 6.698 -11.954 -2.836 1.00 0.00 N ATOM 854 NH2 ARG A 53 7.674 -13.994 -3.222 1.00 0.00 N ATOM 0 H ARG A 53 2.915 -11.577 2.980 1.00 0.00 H new ATOM 0 HA ARG A 53 2.133 -13.721 1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.339 -12.138 1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.908 -13.588 2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.981 -14.809 0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.562 -14.036 -0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.767 -12.293 -1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.981 -12.309 0.103 1.00 0.00 H new ATOM 0 HE ARG A 53 6.445 -14.698 -1.179 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.090 -11.356 -2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.164 -11.578 -3.662 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.819 -14.969 -2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.138 -13.613 -4.047 1.00 0.00 H new ATOM 868 N GLN A 54 2.913 -14.449 4.375 1.00 0.00 N ATOM 869 CA GLN A 54 2.935 -15.516 5.365 1.00 0.00 C ATOM 870 C GLN A 54 1.525 -15.863 5.844 1.00 0.00 C ATOM 871 O GLN A 54 1.358 -16.631 6.792 1.00 0.00 O ATOM 872 CB GLN A 54 3.803 -15.106 6.554 1.00 0.00 C ATOM 873 CG GLN A 54 3.440 -13.751 7.138 1.00 0.00 C ATOM 874 CD GLN A 54 4.140 -13.477 8.454 1.00 0.00 C ATOM 875 OE1 GLN A 54 3.495 -13.226 9.474 1.00 0.00 O ATOM 876 NE2 GLN A 54 5.466 -13.524 8.441 1.00 0.00 N ATOM 0 H GLN A 54 3.007 -13.511 4.764 1.00 0.00 H new ATOM 0 HA GLN A 54 3.358 -16.403 4.894 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.716 -15.863 7.334 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.847 -15.089 6.241 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.700 -12.970 6.423 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.361 -13.701 7.287 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.960 -13.736 7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.991 -13.349 9.298 1.00 0.00 H new ATOM 885 N GLN A 55 0.514 -15.297 5.190 1.00 0.00 N ATOM 886 CA GLN A 55 -0.873 -15.556 5.560 1.00 0.00 C ATOM 887 C GLN A 55 -1.738 -15.761 4.319 1.00 0.00 C ATOM 888 O GLN A 55 -2.860 -15.259 4.242 1.00 0.00 O ATOM 889 CB GLN A 55 -1.423 -14.399 6.396 1.00 0.00 C ATOM 890 CG GLN A 55 -2.374 -14.843 7.496 1.00 0.00 C ATOM 891 CD GLN A 55 -1.715 -14.866 8.861 1.00 0.00 C ATOM 892 OE1 GLN A 55 -1.790 -15.861 9.582 1.00 0.00 O ATOM 893 NE2 GLN A 55 -1.066 -13.766 9.224 1.00 0.00 N ATOM 0 H GLN A 55 0.629 -14.658 4.403 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.901 -16.469 6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.590 -13.857 6.844 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.941 -13.701 5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.232 -14.172 7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.754 -15.838 7.263 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.029 -12.964 8.594 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.604 -13.723 10.132 1.00 0.00 H new ATOM 902 N VAL A 56 -1.208 -16.501 3.351 1.00 0.00 N ATOM 903 CA VAL A 56 -1.931 -16.772 2.112 1.00 0.00 C ATOM 904 C VAL A 56 -2.360 -18.234 2.043 1.00 0.00 C ATOM 905 O VAL A 56 -2.004 -19.038 2.905 1.00 0.00 O ATOM 906 CB VAL A 56 -1.086 -16.435 0.860 1.00 0.00 C ATOM 907 CG1 VAL A 56 -1.803 -15.415 -0.011 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.298 -15.928 1.249 1.00 0.00 C ATOM 0 H VAL A 56 -0.281 -16.924 3.400 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.811 -16.129 2.118 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.958 -17.353 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.193 -15.191 -0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.763 -15.821 -0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.968 -14.501 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.868 -15.700 0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.199 -15.027 1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.818 -16.695 1.823 1.00 0.00 H new ATOM 918 N THR A 57 -3.119 -18.574 1.004 1.00 0.00 N ATOM 919 CA THR A 57 -3.593 -19.932 0.807 1.00 0.00 C ATOM 920 C THR A 57 -4.155 -20.096 -0.595 1.00 0.00 C ATOM 921 O THR A 57 -4.755 -19.176 -1.152 1.00 0.00 O ATOM 922 CB THR A 57 -4.664 -20.295 1.834 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.533 -19.201 2.064 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.097 -20.722 3.171 1.00 0.00 C ATOM 0 H THR A 57 -3.418 -17.918 0.283 1.00 0.00 H new ATOM 0 HA THR A 57 -2.745 -20.604 0.938 1.00 0.00 H new ATOM 0 HB THR A 57 -5.200 -21.140 1.401 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.212 -19.456 2.723 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.913 -20.965 3.851 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.465 -21.599 3.035 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.504 -19.909 3.591 1.00 0.00 H new ATOM 932 N GLY A 58 -3.951 -21.271 -1.155 1.00 0.00 N ATOM 933 CA GLY A 58 -4.430 -21.559 -2.491 1.00 0.00 C ATOM 934 C GLY A 58 -3.391 -22.262 -3.332 1.00 0.00 C ATOM 935 O GLY A 58 -2.810 -23.264 -2.917 1.00 0.00 O ATOM 0 H GLY A 58 -3.457 -22.042 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.324 -22.179 -2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.721 -20.629 -2.979 1.00 0.00 H new ATOM 939 N GLU A 59 -3.156 -21.726 -4.518 1.00 0.00 N ATOM 940 CA GLU A 59 -2.177 -22.289 -5.438 1.00 0.00 C ATOM 941 C GLU A 59 -0.988 -21.345 -5.597 1.00 0.00 C ATOM 942 O GLU A 59 -1.115 -20.138 -5.395 1.00 0.00 O ATOM 943 CB GLU A 59 -2.821 -22.554 -6.801 1.00 0.00 C ATOM 944 CG GLU A 59 -4.182 -23.226 -6.710 1.00 0.00 C ATOM 945 CD GLU A 59 -4.388 -24.269 -7.790 1.00 0.00 C ATOM 946 OE1 GLU A 59 -3.756 -25.343 -7.706 1.00 0.00 O ATOM 947 OE2 GLU A 59 -5.183 -24.013 -8.719 1.00 0.00 O ATOM 0 H GLU A 59 -3.633 -20.896 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.821 -23.233 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.926 -21.609 -7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.154 -23.181 -7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.287 -23.695 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.963 -22.469 -6.786 1.00 0.00 H new ATOM 954 N PRO A 60 0.188 -21.881 -5.967 1.00 0.00 N ATOM 955 CA PRO A 60 1.398 -21.077 -6.154 1.00 0.00 C ATOM 956 C PRO A 60 1.154 -19.875 -7.058 1.00 0.00 C ATOM 957 O PRO A 60 1.574 -18.760 -6.753 1.00 0.00 O ATOM 958 CB PRO A 60 2.395 -22.051 -6.805 1.00 0.00 C ATOM 959 CG PRO A 60 1.597 -23.256 -7.185 1.00 0.00 C ATOM 960 CD PRO A 60 0.436 -23.303 -6.235 1.00 0.00 C ATOM 0 HA PRO A 60 1.756 -20.661 -5.213 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.866 -21.602 -7.679 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.194 -22.314 -6.112 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.253 -23.186 -8.217 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.199 -24.162 -7.110 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.432 -23.790 -6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.678 -23.851 -5.325 1.00 0.00 H new ATOM 968 N GLN A 61 0.468 -20.111 -8.172 1.00 0.00 N ATOM 969 CA GLN A 61 0.164 -19.045 -9.119 1.00 0.00 C ATOM 970 C GLN A 61 -0.953 -18.149 -8.593 1.00 0.00 C ATOM 971 O GLN A 61 -0.979 -16.949 -8.866 1.00 0.00 O ATOM 972 CB GLN A 61 -0.235 -19.636 -10.473 1.00 0.00 C ATOM 973 CG GLN A 61 -1.302 -20.715 -10.376 1.00 0.00 C ATOM 974 CD GLN A 61 -1.954 -21.011 -11.712 1.00 0.00 C ATOM 975 OE1 GLN A 61 -1.534 -21.914 -12.434 1.00 0.00 O ATOM 976 NE2 GLN A 61 -2.988 -20.248 -12.047 1.00 0.00 N ATOM 0 H GLN A 61 0.113 -21.029 -8.440 1.00 0.00 H new ATOM 0 HA GLN A 61 1.061 -18.439 -9.244 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.598 -18.835 -11.117 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.650 -20.054 -10.952 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.855 -21.628 -9.983 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.066 -20.402 -9.664 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.303 -19.510 -11.417 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.468 -20.400 -12.934 1.00 0.00 H new ATOM 985 N GLU A 62 -1.873 -18.738 -7.835 1.00 0.00 N ATOM 986 CA GLU A 62 -2.989 -17.988 -7.272 1.00 0.00 C ATOM 987 C GLU A 62 -2.491 -16.954 -6.269 1.00 0.00 C ATOM 988 O GLU A 62 -2.848 -15.779 -6.344 1.00 0.00 O ATOM 989 CB GLU A 62 -3.984 -18.937 -6.601 1.00 0.00 C ATOM 990 CG GLU A 62 -5.264 -19.138 -7.397 1.00 0.00 C ATOM 991 CD GLU A 62 -6.491 -19.239 -6.511 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.352 -19.688 -5.354 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.590 -18.871 -6.975 1.00 0.00 O ATOM 0 H GLU A 62 -1.867 -19.730 -7.597 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.494 -17.466 -8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.505 -19.904 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.237 -18.548 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.390 -18.308 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.177 -20.045 -7.996 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.659 -17.399 -5.333 1.00 0.00 N ATOM 1001 CA ARG A 63 -1.107 -16.515 -4.321 1.00 0.00 C ATOM 1002 C ARG A 63 -0.291 -15.402 -4.968 1.00 0.00 C ATOM 1003 O ARG A 63 -0.282 -14.267 -4.492 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.235 -17.310 -3.351 1.00 0.00 C ATOM 1005 CG ARG A 63 0.900 -18.060 -4.027 1.00 0.00 C ATOM 1006 CD ARG A 63 1.671 -18.916 -3.034 1.00 0.00 C ATOM 1007 NE ARG A 63 0.785 -19.751 -2.227 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.151 -20.338 -1.090 1.00 0.00 C ATOM 1009 NH1 ARG A 63 2.384 -20.183 -0.623 1.00 0.00 N ATOM 1010 NH2 ARG A 63 0.283 -21.081 -0.418 1.00 0.00 N ATOM 0 H ARG A 63 -1.354 -18.369 -5.257 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.931 -16.063 -3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.182 -16.629 -2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.861 -18.023 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.499 -18.692 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.578 -17.349 -4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.376 -19.550 -3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.258 -18.272 -2.379 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.171 -19.893 -2.554 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.056 -19.612 -1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.660 -20.635 0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.666 -21.203 -0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.564 -21.531 0.453 1.00 0.00 H new ATOM 1024 N ASP A 64 0.392 -15.735 -6.059 1.00 0.00 N ATOM 1025 CA ASP A 64 1.209 -14.764 -6.776 1.00 0.00 C ATOM 1026 C ASP A 64 0.332 -13.753 -7.508 1.00 0.00 C ATOM 1027 O ASP A 64 0.676 -12.575 -7.606 1.00 0.00 O ATOM 1028 CB ASP A 64 2.126 -15.476 -7.771 1.00 0.00 C ATOM 1029 CG ASP A 64 3.477 -14.800 -7.899 1.00 0.00 C ATOM 1030 OD1 ASP A 64 4.013 -14.343 -6.868 1.00 0.00 O ATOM 1031 OD2 ASP A 64 3.999 -14.725 -9.032 1.00 0.00 O ATOM 0 H ASP A 64 0.395 -16.671 -6.465 1.00 0.00 H new ATOM 0 HA ASP A 64 1.819 -14.229 -6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.268 -16.509 -7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.644 -15.506 -8.748 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.799 -14.223 -8.024 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.724 -13.361 -8.749 1.00 0.00 C ATOM 1038 C LYS A 65 -2.409 -12.374 -7.809 1.00 0.00 C ATOM 1039 O LYS A 65 -2.639 -11.219 -8.166 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.775 -14.205 -9.475 1.00 0.00 C ATOM 1041 CG LYS A 65 -3.051 -13.740 -10.896 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.533 -13.812 -11.229 1.00 0.00 C ATOM 1043 CE LYS A 65 -5.230 -12.489 -10.959 1.00 0.00 C ATOM 1044 NZ LYS A 65 -4.529 -11.348 -11.613 1.00 0.00 N ATOM 0 H LYS A 65 -1.097 -15.196 -7.953 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.150 -12.793 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.443 -15.243 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.705 -14.181 -8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.699 -12.716 -11.019 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.489 -14.357 -11.597 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.659 -14.083 -12.277 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.002 -14.599 -10.638 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.257 -12.539 -11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.279 -12.317 -9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.224 -10.624 -11.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.842 -10.936 -10.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.031 -11.686 -12.461 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.732 -12.835 -6.605 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.391 -11.991 -5.616 1.00 0.00 C ATOM 1060 C ALA A 66 -2.420 -10.977 -5.023 1.00 0.00 C ATOM 1061 O ALA A 66 -2.787 -9.833 -4.757 1.00 0.00 O ATOM 1062 CB ALA A 66 -4.000 -12.848 -4.515 1.00 0.00 C ATOM 0 H ALA A 66 -2.548 -13.788 -6.291 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.187 -11.440 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.489 -12.206 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.733 -13.529 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.214 -13.424 -4.025 1.00 0.00 H new ATOM 1068 N LEU A 67 -1.179 -11.405 -4.817 1.00 0.00 N ATOM 1069 CA LEU A 67 -0.156 -10.535 -4.252 1.00 0.00 C ATOM 1070 C LEU A 67 0.349 -9.536 -5.288 1.00 0.00 C ATOM 1071 O LEU A 67 0.738 -8.418 -4.949 1.00 0.00 O ATOM 1072 CB LEU A 67 1.005 -11.368 -3.714 1.00 0.00 C ATOM 1073 CG LEU A 67 1.351 -11.123 -2.245 1.00 0.00 C ATOM 1074 CD1 LEU A 67 1.628 -9.648 -1.998 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.224 -11.614 -1.348 1.00 0.00 C ATOM 0 H LEU A 67 -0.858 -12.349 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.603 -9.975 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.766 -12.423 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.889 -11.165 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 67 2.254 -11.683 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.872 -9.495 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.467 -9.327 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.744 -9.064 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.484 -11.433 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.694 -11.079 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.074 -12.682 -1.504 1.00 0.00 H new ATOM 1087 N GLN A 68 0.340 -9.947 -6.553 1.00 0.00 N ATOM 1088 CA GLN A 68 0.799 -9.088 -7.639 1.00 0.00 C ATOM 1089 C GLN A 68 -0.056 -7.829 -7.737 1.00 0.00 C ATOM 1090 O GLN A 68 0.454 -6.741 -8.007 1.00 0.00 O ATOM 1091 CB GLN A 68 0.764 -9.849 -8.966 1.00 0.00 C ATOM 1092 CG GLN A 68 2.086 -10.510 -9.323 1.00 0.00 C ATOM 1093 CD GLN A 68 2.440 -10.353 -10.788 1.00 0.00 C ATOM 1094 OE1 GLN A 68 2.053 -9.377 -11.431 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.179 -11.317 -11.324 1.00 0.00 N ATOM 0 H GLN A 68 0.020 -10.869 -6.851 1.00 0.00 H new ATOM 0 HA GLN A 68 1.825 -8.790 -7.425 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.013 -10.612 -8.917 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.485 -9.160 -9.763 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.880 -10.079 -8.713 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.036 -11.571 -9.077 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.477 -12.108 -10.753 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.448 -11.267 -12.307 1.00 0.00 H new ATOM 1104 N GLU A 69 -1.358 -7.981 -7.519 1.00 0.00 N ATOM 1105 CA GLU A 69 -2.280 -6.854 -7.584 1.00 0.00 C ATOM 1106 C GLU A 69 -2.145 -5.966 -6.358 1.00 0.00 C ATOM 1107 O GLU A 69 -2.361 -4.756 -6.428 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.722 -7.344 -7.726 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.738 -6.221 -7.850 1.00 0.00 C ATOM 1110 CD GLU A 69 -5.061 -5.882 -9.292 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -5.536 -6.779 -10.020 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -4.837 -4.721 -9.694 1.00 0.00 O ATOM 0 H GLU A 69 -1.798 -8.874 -7.296 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.023 -6.263 -8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.794 -7.986 -8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.975 -7.957 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.655 -6.507 -7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.354 -5.332 -7.349 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.772 -6.568 -5.237 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.592 -5.826 -3.999 1.00 0.00 C ATOM 1121 C LEU A 70 -0.672 -4.631 -4.231 1.00 0.00 C ATOM 1122 O LEU A 70 -0.781 -3.607 -3.558 1.00 0.00 O ATOM 1123 CB LEU A 70 -1.010 -6.734 -2.913 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.594 -6.529 -1.515 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.426 -7.787 -0.677 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.935 -5.339 -0.833 1.00 0.00 C ATOM 0 H LEU A 70 -1.588 -7.568 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.565 -5.464 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.166 -7.772 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.067 -6.575 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.660 -6.323 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.847 -7.623 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.944 -8.617 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.366 -8.025 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.362 -5.207 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.137 -5.517 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.107 -4.440 -1.424 1.00 0.00 H new ATOM 1138 N ARG A 71 0.236 -4.777 -5.193 1.00 0.00 N ATOM 1139 CA ARG A 71 1.179 -3.716 -5.523 1.00 0.00 C ATOM 1140 C ARG A 71 0.467 -2.532 -6.169 1.00 0.00 C ATOM 1141 O ARG A 71 0.759 -1.377 -5.862 1.00 0.00 O ATOM 1142 CB ARG A 71 2.267 -4.245 -6.458 1.00 0.00 C ATOM 1143 CG ARG A 71 3.578 -3.481 -6.361 1.00 0.00 C ATOM 1144 CD ARG A 71 4.773 -4.400 -6.552 1.00 0.00 C ATOM 1145 NE ARG A 71 6.041 -3.686 -6.413 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.572 -2.925 -7.367 1.00 0.00 C ATOM 1147 NH1 ARG A 71 5.948 -2.775 -8.530 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.728 -2.311 -7.159 1.00 0.00 N ATOM 0 H ARG A 71 0.337 -5.621 -5.757 1.00 0.00 H new ATOM 0 HA ARG A 71 1.640 -3.375 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.451 -5.295 -6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.905 -4.200 -7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.599 -2.694 -7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.645 -2.993 -5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.730 -5.208 -5.821 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.722 -4.860 -7.539 1.00 0.00 H new ATOM 0 HE ARG A 71 6.549 -3.776 -5.533 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.058 -3.244 -8.695 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.359 -2.191 -9.258 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.211 -2.422 -6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.135 -1.728 -7.890 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.466 -2.829 -7.068 1.00 0.00 N ATOM 1163 CA GLN A 72 -1.218 -1.789 -7.760 1.00 0.00 C ATOM 1164 C GLN A 72 -1.998 -0.929 -6.772 1.00 0.00 C ATOM 1165 O GLN A 72 -2.037 0.296 -6.895 1.00 0.00 O ATOM 1166 CB GLN A 72 -2.175 -2.414 -8.777 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.485 -2.914 -10.036 1.00 0.00 C ATOM 1168 CD GLN A 72 -2.268 -2.599 -11.294 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -1.714 -1.734 -12.137 1.00 0.00 O flip ATOM 1170 NE2 GLN A 72 -3.360 -3.128 -11.509 1.00 0.00 N flip ATOM 0 H GLN A 72 -0.719 -3.781 -7.334 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.507 -1.151 -8.284 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.700 -3.245 -8.306 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.929 -1.677 -9.054 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.495 -2.464 -10.106 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.340 -3.992 -9.963 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.749 -3.787 -10.835 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.875 -2.907 -12.361 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.620 -1.577 -5.792 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.399 -0.869 -4.783 1.00 0.00 C ATOM 1181 C GLU A 73 -2.519 0.090 -3.989 1.00 0.00 C ATOM 1182 O GLU A 73 -2.828 1.275 -3.868 1.00 0.00 O ATOM 1183 CB GLU A 73 -4.070 -1.866 -3.836 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.901 -2.919 -4.552 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.344 -2.494 -4.741 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.610 -1.273 -4.726 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.208 -3.381 -4.906 1.00 0.00 O ATOM 0 H GLU A 73 -2.600 -2.590 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.167 -0.289 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.303 -2.363 -3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.709 -1.321 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.457 -3.127 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.871 -3.848 -3.983 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.421 -0.431 -3.450 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.495 0.380 -2.668 1.00 0.00 C ATOM 1196 C LEU A 74 0.237 1.383 -3.554 1.00 0.00 C ATOM 1197 O LEU A 74 0.527 2.504 -3.133 1.00 0.00 O ATOM 1198 CB LEU A 74 0.516 -0.514 -1.947 1.00 0.00 C ATOM 1199 CG LEU A 74 -0.096 -1.560 -1.014 1.00 0.00 C ATOM 1200 CD1 LEU A 74 0.786 -2.798 -0.951 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.301 -0.978 0.376 1.00 0.00 C ATOM 0 H LEU A 74 -1.151 -1.410 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.074 0.933 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.123 -1.026 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.189 0.118 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.068 -1.851 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.336 -3.532 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.883 -3.227 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.772 -2.523 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.737 -1.736 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.659 -0.660 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.972 -0.121 0.316 1.00 0.00 H new ATOM 1213 N ASN A 75 0.536 0.973 -4.783 1.00 0.00 N ATOM 1214 CA ASN A 75 1.237 1.834 -5.727 1.00 0.00 C ATOM 1215 C ASN A 75 0.444 3.109 -5.998 1.00 0.00 C ATOM 1216 O ASN A 75 0.980 4.215 -5.912 1.00 0.00 O ATOM 1217 CB ASN A 75 1.489 1.089 -7.039 1.00 0.00 C ATOM 1218 CG ASN A 75 2.288 1.914 -8.030 1.00 0.00 C ATOM 1219 OD1 ASN A 75 1.783 2.879 -8.602 1.00 0.00 O ATOM 1220 ND2 ASN A 75 3.544 1.536 -8.237 1.00 0.00 N ATOM 0 H ASN A 75 0.303 0.049 -5.148 1.00 0.00 H new ATOM 0 HA ASN A 75 2.193 2.111 -5.284 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.022 0.161 -6.830 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.534 0.814 -7.486 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.131 2.053 -8.892 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.922 0.729 -7.741 1.00 0.00 H new ATOM 1227 N THR A 76 -0.834 2.949 -6.325 1.00 0.00 N ATOM 1228 CA THR A 76 -1.698 4.083 -6.608 1.00 0.00 C ATOM 1229 C THR A 76 -2.035 4.855 -5.342 1.00 0.00 C ATOM 1230 O THR A 76 -2.133 6.080 -5.365 1.00 0.00 O ATOM 1231 CB THR A 76 -2.988 3.634 -7.270 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.402 2.375 -6.770 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.889 3.529 -8.777 1.00 0.00 C ATOM 0 H THR A 76 -1.293 2.041 -6.400 1.00 0.00 H new ATOM 0 HA THR A 76 -1.150 4.736 -7.287 1.00 0.00 H new ATOM 0 HB THR A 76 -3.716 4.408 -7.029 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.960 1.661 -7.275 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.847 3.203 -9.183 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.631 4.503 -9.193 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.118 2.805 -9.041 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.224 4.138 -4.239 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.560 4.778 -2.971 1.00 0.00 C ATOM 1243 C LEU A 77 -1.584 5.914 -2.694 1.00 0.00 C ATOM 1244 O LEU A 77 -1.932 6.911 -2.062 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.523 3.760 -1.829 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.853 3.059 -1.545 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.617 1.734 -0.837 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.759 3.956 -0.714 1.00 0.00 C ATOM 0 H LEU A 77 -2.151 3.122 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.570 5.182 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.773 3.004 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.195 4.266 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.347 2.856 -2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.574 1.250 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.005 1.089 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.103 1.913 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.701 3.443 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.272 4.189 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.954 4.880 -1.258 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.367 5.758 -3.200 1.00 0.00 N ATOM 1261 CA ALA A 78 0.664 6.769 -3.045 1.00 0.00 C ATOM 1262 C ALA A 78 0.365 7.995 -3.909 1.00 0.00 C ATOM 1263 O ALA A 78 0.777 9.107 -3.582 1.00 0.00 O ATOM 1264 CB ALA A 78 2.026 6.191 -3.400 1.00 0.00 C ATOM 0 H ALA A 78 -0.071 4.934 -3.724 1.00 0.00 H new ATOM 0 HA ALA A 78 0.676 7.085 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.790 6.959 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.248 5.352 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.017 5.847 -4.434 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.340 7.786 -5.029 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.666 8.884 -5.940 1.00 0.00 C ATOM 1272 C ASN A 79 -1.276 10.079 -5.202 1.00 0.00 C ATOM 1273 O ASN A 79 -0.779 11.199 -5.314 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.627 8.401 -7.028 1.00 0.00 C ATOM 1275 CG ASN A 79 -1.314 9.003 -8.384 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -2.169 9.626 -9.013 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -0.081 8.819 -8.842 1.00 0.00 N ATOM 0 H ASN A 79 -0.691 6.874 -5.322 1.00 0.00 H new ATOM 0 HA ASN A 79 0.267 9.215 -6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.578 7.314 -7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.648 8.657 -6.747 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.189 9.201 -9.749 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.596 8.296 -8.287 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.361 9.864 -4.435 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.020 10.942 -3.686 1.00 0.00 C ATOM 1286 C PRO A 80 -2.137 11.495 -2.573 1.00 0.00 C ATOM 1287 O PRO A 80 -2.182 12.686 -2.266 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.263 10.268 -3.099 1.00 0.00 C ATOM 1289 CG PRO A 80 -3.928 8.818 -3.057 1.00 0.00 C ATOM 1290 CD PRO A 80 -3.034 8.569 -4.239 1.00 0.00 C ATOM 0 HA PRO A 80 -3.248 11.797 -4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.487 10.651 -2.103 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.142 10.453 -3.717 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.425 8.560 -2.125 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.829 8.207 -3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.319 7.770 -4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.605 8.275 -5.120 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.335 10.623 -1.971 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.442 11.024 -0.891 1.00 0.00 C ATOM 1300 C PHE A 81 0.672 11.926 -1.411 1.00 0.00 C ATOM 1301 O PHE A 81 0.921 13.000 -0.866 1.00 0.00 O ATOM 1302 CB PHE A 81 0.159 9.792 -0.213 1.00 0.00 C ATOM 1303 CG PHE A 81 0.970 10.115 1.010 1.00 0.00 C ATOM 1304 CD1 PHE A 81 0.348 10.422 2.208 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.355 10.111 0.959 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.091 10.721 3.335 1.00 0.00 C ATOM 1307 CE2 PHE A 81 3.104 10.408 2.082 1.00 0.00 C ATOM 1308 CZ PHE A 81 2.471 10.713 3.272 1.00 0.00 C ATOM 0 H PHE A 81 -1.285 9.633 -2.213 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.026 11.583 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.646 9.111 0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.790 9.265 -0.929 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.731 10.428 2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.855 9.873 0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.593 10.960 4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.183 10.402 2.030 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.054 10.945 4.151 1.00 0.00 H new ATOM 1318 N LEU A 82 1.339 11.482 -2.472 1.00 0.00 N ATOM 1319 CA LEU A 82 2.427 12.248 -3.067 1.00 0.00 C ATOM 1320 C LEU A 82 1.898 13.507 -3.746 1.00 0.00 C ATOM 1321 O LEU A 82 2.509 14.573 -3.666 1.00 0.00 O ATOM 1322 CB LEU A 82 3.190 11.391 -4.078 1.00 0.00 C ATOM 1323 CG LEU A 82 4.173 10.392 -3.468 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.445 9.252 -4.436 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.470 11.088 -3.084 1.00 0.00 C ATOM 0 H LEU A 82 1.144 10.595 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 82 3.107 12.546 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.469 10.843 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.737 12.051 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 82 3.725 9.976 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.147 8.551 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.512 8.736 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.872 9.650 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.158 10.362 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.921 11.532 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.261 11.870 -2.354 1.00 0.00 H new ATOM 1337 N ALA A 83 0.757 13.377 -4.416 1.00 0.00 N ATOM 1338 CA ALA A 83 0.146 14.503 -5.111 1.00 0.00 C ATOM 1339 C ALA A 83 -0.212 15.620 -4.135 1.00 0.00 C ATOM 1340 O ALA A 83 -0.107 16.802 -4.464 1.00 0.00 O ATOM 1341 CB ALA A 83 -1.091 14.046 -5.869 1.00 0.00 C ATOM 0 H ALA A 83 0.237 12.503 -4.492 1.00 0.00 H new ATOM 0 HA ALA A 83 0.871 14.896 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.537 14.897 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.811 13.287 -6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.813 13.626 -5.168 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.635 15.239 -2.934 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.008 16.208 -1.912 1.00 0.00 C ATOM 1349 C LYS A 84 0.204 17.011 -1.454 1.00 0.00 C ATOM 1350 O LYS A 84 0.204 18.241 -1.513 1.00 0.00 O ATOM 1351 CB LYS A 84 -1.645 15.498 -0.715 1.00 0.00 C ATOM 1352 CG LYS A 84 -2.720 16.319 -0.023 1.00 0.00 C ATOM 1353 CD LYS A 84 -3.512 15.480 0.966 1.00 0.00 C ATOM 1354 CE LYS A 84 -4.951 15.956 1.075 1.00 0.00 C ATOM 1355 NZ LYS A 84 -5.871 15.140 0.235 1.00 0.00 N ATOM 0 H LYS A 84 -0.728 14.265 -2.645 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.733 16.896 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.079 14.556 -1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.867 15.251 0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.259 17.159 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.395 16.738 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.496 14.436 0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.037 15.527 1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.271 15.908 2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.012 17.001 0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.843 15.497 0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.581 15.206 -0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.833 14.147 0.542 1.00 0.00 H new ATOM 1369 N TYR A 85 1.236 16.309 -0.999 1.00 0.00 N ATOM 1370 CA TYR A 85 2.456 16.958 -0.531 1.00 0.00 C ATOM 1371 C TYR A 85 3.090 17.790 -1.640 1.00 0.00 C ATOM 1372 O TYR A 85 3.555 18.905 -1.404 1.00 0.00 O ATOM 1373 CB TYR A 85 3.454 15.912 -0.027 1.00 0.00 C ATOM 1374 CG TYR A 85 3.342 15.632 1.455 1.00 0.00 C ATOM 1375 CD1 TYR A 85 3.218 16.671 2.370 1.00 0.00 C ATOM 1376 CD2 TYR A 85 3.361 14.330 1.939 1.00 0.00 C ATOM 1377 CE1 TYR A 85 3.118 16.419 3.725 1.00 0.00 C ATOM 1378 CE2 TYR A 85 3.260 14.071 3.293 1.00 0.00 C ATOM 1379 CZ TYR A 85 3.138 15.119 4.181 1.00 0.00 C ATOM 1380 OH TYR A 85 3.037 14.864 5.529 1.00 0.00 O ATOM 0 H TYR A 85 1.252 15.291 -0.944 1.00 0.00 H new ATOM 0 HA TYR A 85 2.191 17.623 0.291 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.302 14.983 -0.576 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.466 16.251 -0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.200 17.691 2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.456 13.507 1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.025 17.237 4.423 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.277 13.053 3.654 1.00 0.00 H new ATOM 0 HH TYR A 85 2.092 14.827 5.785 1.00 0.00 H new ATOM 1390 N ARG A 86 3.104 17.241 -2.850 1.00 0.00 N ATOM 1391 CA ARG A 86 3.682 17.934 -3.997 1.00 0.00 C ATOM 1392 C ARG A 86 2.960 19.253 -4.256 1.00 0.00 C ATOM 1393 O ARG A 86 3.589 20.270 -4.546 1.00 0.00 O ATOM 1394 CB ARG A 86 3.614 17.048 -5.242 1.00 0.00 C ATOM 1395 CG ARG A 86 4.685 17.366 -6.273 1.00 0.00 C ATOM 1396 CD ARG A 86 5.177 16.108 -6.970 1.00 0.00 C ATOM 1397 NE ARG A 86 6.370 15.558 -6.330 1.00 0.00 N ATOM 1398 CZ ARG A 86 7.055 14.521 -6.804 1.00 0.00 C ATOM 1399 NH1 ARG A 86 6.669 13.917 -7.923 1.00 0.00 N ATOM 1400 NH2 ARG A 86 8.128 14.083 -6.159 1.00 0.00 N ATOM 0 H ARG A 86 2.722 16.319 -3.062 1.00 0.00 H new ATOM 0 HA ARG A 86 4.726 18.151 -3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.709 16.005 -4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.633 17.158 -5.703 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.285 18.060 -7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.523 17.865 -5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.386 15.359 -6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.397 16.334 -8.013 1.00 0.00 H new ATOM 0 HE ARG A 86 6.697 15.995 -5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.844 14.248 -8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.198 13.122 -8.282 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.428 14.541 -5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.653 13.288 -6.523 1.00 0.00 H new ATOM 1414 N ASP A 87 1.635 19.228 -4.150 1.00 0.00 N ATOM 1415 CA ASP A 87 0.828 20.421 -4.372 1.00 0.00 C ATOM 1416 C ASP A 87 0.866 21.339 -3.155 1.00 0.00 C ATOM 1417 O ASP A 87 0.780 22.561 -3.283 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.618 20.032 -4.687 1.00 0.00 C ATOM 1419 CG ASP A 87 -0.860 19.857 -6.173 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -0.226 20.583 -6.968 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -1.684 18.994 -6.542 1.00 0.00 O ATOM 0 H ASP A 87 1.098 18.394 -3.912 1.00 0.00 H new ATOM 0 HA ASP A 87 1.246 20.959 -5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.862 19.104 -4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.290 20.798 -4.300 1.00 0.00 H new ATOM 1426 N PHE A 88 0.996 20.742 -1.974 1.00 0.00 N ATOM 1427 CA PHE A 88 1.047 21.507 -0.733 1.00 0.00 C ATOM 1428 C PHE A 88 2.230 22.469 -0.735 1.00 0.00 C ATOM 1429 O PHE A 88 2.062 23.676 -0.556 1.00 0.00 O ATOM 1430 CB PHE A 88 1.142 20.565 0.468 1.00 0.00 C ATOM 1431 CG PHE A 88 0.372 21.040 1.666 1.00 0.00 C ATOM 1432 CD1 PHE A 88 -0.930 21.494 1.533 1.00 0.00 C ATOM 1433 CD2 PHE A 88 0.950 21.033 2.926 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -1.642 21.932 2.634 1.00 0.00 C ATOM 1435 CE2 PHE A 88 0.244 21.470 4.030 1.00 0.00 C ATOM 1436 CZ PHE A 88 -1.054 21.919 3.884 1.00 0.00 C ATOM 0 H PHE A 88 1.068 19.732 -1.851 1.00 0.00 H new ATOM 0 HA PHE A 88 0.129 22.090 -0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.775 19.581 0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.190 20.446 0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.394 21.506 0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.964 20.682 3.046 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.656 22.284 2.517 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.706 21.461 5.006 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.609 22.259 4.746 1.00 0.00 H new ATOM 1446 N LEU A 89 3.427 21.928 -0.937 1.00 0.00 N ATOM 1447 CA LEU A 89 4.638 22.739 -0.962 1.00 0.00 C ATOM 1448 C LEU A 89 5.650 22.177 -1.954 1.00 0.00 C ATOM 1449 O LEU A 89 6.215 22.912 -2.764 1.00 0.00 O ATOM 1450 CB LEU A 89 5.259 22.808 0.436 1.00 0.00 C ATOM 1451 CG LEU A 89 5.414 21.459 1.141 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.792 20.872 0.877 1.00 0.00 C ATOM 1453 CD2 LEU A 89 5.175 21.609 2.636 1.00 0.00 C ATOM 0 H LEU A 89 3.584 20.931 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 89 4.365 23.745 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.241 23.276 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.644 23.458 1.059 1.00 0.00 H new ATOM 0 HG LEU A 89 4.667 20.774 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.883 19.913 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.927 20.727 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.556 21.555 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.289 20.640 3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.898 22.311 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.166 21.984 2.807 1.00 0.00 H new ATOM 1465 N LYS A 90 5.874 20.869 -1.887 1.00 0.00 N ATOM 1466 CA LYS A 90 6.817 20.208 -2.780 1.00 0.00 C ATOM 1467 C LYS A 90 6.826 18.701 -2.544 1.00 0.00 C ATOM 1468 O LYS A 90 7.282 17.964 -3.444 1.00 0.00 O ATOM 1469 CB LYS A 90 8.225 20.775 -2.580 1.00 0.00 C ATOM 1470 CG LYS A 90 9.058 20.797 -3.851 1.00 0.00 C ATOM 1471 CD LYS A 90 10.514 21.119 -3.556 1.00 0.00 C ATOM 1472 CE LYS A 90 11.452 20.324 -4.450 1.00 0.00 C ATOM 1473 NZ LYS A 90 11.713 21.020 -5.740 1.00 0.00 N ATOM 1474 OXT LYS A 90 6.377 18.270 -1.461 1.00 1.00 O ATOM 0 H LYS A 90 5.415 20.246 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 90 6.499 20.395 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.147 21.789 -2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.743 20.182 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.992 19.829 -4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.653 21.538 -4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.689 22.185 -3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.732 20.899 -2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.395 20.158 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.020 19.343 -4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.357 20.445 -6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.816 21.156 -6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.149 21.946 -5.553 1.00 0.00 H new