USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 990 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 128 THR OG1 : rot 180:sc= 0.399 USER MOD Set 1.2: A 131 GLN : amide:sc= -0.165 X(o=0.23,f=0.61) USER MOD Set 2.1: A 92 SER OG : rot 139:sc= 1.47 USER MOD Set 2.2: A 114 LYS NZ :NH3+ 167:sc= 0.438 (180deg=-0.318) USER MOD Set 3.1: A 105 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Set 3.2: A 107 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -121:sc= 1.18 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0409) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -115:sc= -0.646 (180deg=-1.53!) USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.19) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0415! X(o=-0.041!,f=-0.41) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 42 ASN :FLIP amide:sc= -0.502 F(o=-5.1!,f=-0.5) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0428) USER MOD Single : A 51 TYR OH : rot 57:sc= 0.474 USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= -0.0148 (180deg=-0.17) USER MOD Single : A 57 ASN : amide:sc= -0.12 K(o=-0.12,f=-0.78) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0502 USER MOD Single : A 69 ASN : amide:sc= -0.314 K(o=-0.31,f=-7.7!) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= 0.13 (180deg=-0.0478) USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.1) USER MOD Single : A 76 LYS NZ :NH3+ -121:sc= -0.625 (180deg=-2.41!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 101 SER OG : rot -25:sc= 0.00172 USER MOD Single : A 103 LYS NZ :NH3+ -170:sc= -0.0123 (180deg=-0.146) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= -0.0172 (180deg=-0.0172) USER MOD Single : A 112 GLN : amide:sc= -0.0928 K(o=-0.093,f=-0.65) USER MOD Single : A 116 LYS NZ :NH3+ 164:sc= 0.0867 (180deg=-0.00499) USER MOD Single : A 118 GLN : amide:sc=-0.00806 X(o=-0.0081,f=-0.0081) USER MOD Single : A 120 ASN : amide:sc= -0.171 K(o=-0.17,f=-5.3!) USER MOD Single : A 121 MET CE :methyl 174:sc= 0 (180deg=-0.0798) USER MOD Single : A 125 MET CE :methyl 160:sc= -1.8 (180deg=-2.42!) USER MOD Single : A 126 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.21) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 SER OG : rot 180:sc= -0.0969 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -17.409 4.990 1.944 1.00 0.00 N ATOM 2 CA GLY A 15 -17.447 4.444 0.569 1.00 0.00 C ATOM 3 C GLY A 15 -17.967 3.026 0.543 1.00 0.00 C ATOM 4 O GLY A 15 -18.390 2.501 1.572 1.00 0.00 O ATOM 0 HA2 GLY A 15 -18.080 5.075 -0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.446 4.472 0.139 1.00 0.00 H new ATOM 10 N SER A 16 -17.925 2.400 -0.625 1.00 0.00 N ATOM 11 CA SER A 16 -18.420 1.039 -0.788 1.00 0.00 C ATOM 12 C SER A 16 -17.531 0.045 -0.042 1.00 0.00 C ATOM 13 O SER A 16 -17.965 -1.048 0.321 1.00 0.00 O ATOM 14 CB SER A 16 -18.476 0.686 -2.274 1.00 0.00 C ATOM 15 OG SER A 16 -19.195 1.673 -2.997 1.00 0.00 O ATOM 0 H SER A 16 -17.551 2.815 -1.478 1.00 0.00 H new ATOM 0 HA SER A 16 -19.423 0.980 -0.366 1.00 0.00 H new ATOM 0 HB2 SER A 16 -17.464 0.602 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 16 -18.952 -0.286 -2.404 1.00 0.00 H new ATOM 0 HG SER A 16 -19.219 1.431 -3.946 1.00 0.00 H new ATOM 21 N SER A 17 -16.288 0.439 0.186 1.00 0.00 N ATOM 22 CA SER A 17 -15.333 -0.397 0.888 1.00 0.00 C ATOM 23 C SER A 17 -15.625 -0.400 2.386 1.00 0.00 C ATOM 24 O SER A 17 -16.143 0.577 2.926 1.00 0.00 O ATOM 25 CB SER A 17 -13.920 0.125 0.632 1.00 0.00 C ATOM 26 OG SER A 17 -13.700 0.326 -0.755 1.00 0.00 O ATOM 0 H SER A 17 -15.916 1.342 -0.109 1.00 0.00 H new ATOM 0 HA SER A 17 -15.417 -1.419 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.771 1.062 1.168 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.190 -0.584 1.022 1.00 0.00 H new ATOM 0 HG SER A 17 -12.942 -0.222 -1.049 1.00 0.00 H new ATOM 32 N GLY A 18 -15.309 -1.509 3.041 1.00 0.00 N ATOM 33 CA GLY A 18 -15.440 -1.581 4.481 1.00 0.00 C ATOM 34 C GLY A 18 -14.414 -0.708 5.170 1.00 0.00 C ATOM 35 O GLY A 18 -13.448 -0.268 4.540 1.00 0.00 O ATOM 0 H GLY A 18 -14.964 -2.361 2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.442 -1.268 4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.321 -2.614 4.808 1.00 0.00 H new ATOM 39 N ASN A 19 -14.611 -0.463 6.455 1.00 0.00 N ATOM 40 CA ASN A 19 -13.734 0.432 7.198 1.00 0.00 C ATOM 41 C ASN A 19 -12.347 -0.170 7.339 1.00 0.00 C ATOM 42 O ASN A 19 -12.190 -1.362 7.602 1.00 0.00 O ATOM 43 CB ASN A 19 -14.299 0.737 8.585 1.00 0.00 C ATOM 44 CG ASN A 19 -15.693 1.328 8.539 1.00 0.00 C ATOM 45 OD1 ASN A 19 -16.075 1.983 7.566 1.00 0.00 O ATOM 46 ND2 ASN A 19 -16.458 1.115 9.596 1.00 0.00 N ATOM 0 H ASN A 19 -15.368 -0.869 7.006 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.667 1.363 6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.318 -0.180 9.173 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.633 1.431 9.098 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.403 1.498 9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.103 0.567 10.380 1.00 0.00 H new ATOM 53 N PRO A 20 -11.328 0.688 7.173 1.00 0.00 N ATOM 54 CA PRO A 20 -9.917 0.296 7.201 1.00 0.00 C ATOM 55 C PRO A 20 -9.538 -0.409 8.491 1.00 0.00 C ATOM 56 O PRO A 20 -8.706 -1.313 8.489 1.00 0.00 O ATOM 57 CB PRO A 20 -9.156 1.621 7.098 1.00 0.00 C ATOM 58 CG PRO A 20 -10.134 2.618 6.585 1.00 0.00 C ATOM 59 CD PRO A 20 -11.500 2.132 6.958 1.00 0.00 C ATOM 0 HA PRO A 20 -9.689 -0.406 6.399 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.765 1.923 8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.303 1.530 6.425 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.944 3.600 7.017 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.045 2.723 5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.866 2.627 7.858 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.223 2.333 6.167 1.00 0.00 H new ATOM 67 N GLU A 21 -10.148 0.028 9.586 1.00 0.00 N ATOM 68 CA GLU A 21 -9.904 -0.557 10.898 1.00 0.00 C ATOM 69 C GLU A 21 -10.273 -2.038 10.930 1.00 0.00 C ATOM 70 O GLU A 21 -9.581 -2.842 11.553 1.00 0.00 O ATOM 71 CB GLU A 21 -10.697 0.196 11.970 1.00 0.00 C ATOM 72 CG GLU A 21 -10.610 -0.432 13.351 1.00 0.00 C ATOM 73 CD GLU A 21 -11.406 0.331 14.389 1.00 0.00 C ATOM 74 OE1 GLU A 21 -12.643 0.162 14.442 1.00 0.00 O ATOM 75 OE2 GLU A 21 -10.794 1.099 15.161 1.00 0.00 O ATOM 0 H GLU A 21 -10.822 0.794 9.590 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.837 -0.469 11.104 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.333 1.222 12.024 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.743 0.244 11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.973 -1.459 13.303 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.566 -0.477 13.660 1.00 0.00 H new ATOM 82 N ASP A 22 -11.348 -2.401 10.244 1.00 0.00 N ATOM 83 CA ASP A 22 -11.864 -3.764 10.320 1.00 0.00 C ATOM 84 C ASP A 22 -10.992 -4.732 9.526 1.00 0.00 C ATOM 85 O ASP A 22 -11.043 -5.945 9.740 1.00 0.00 O ATOM 86 CB ASP A 22 -13.310 -3.826 9.825 1.00 0.00 C ATOM 87 CG ASP A 22 -13.962 -5.163 10.130 1.00 0.00 C ATOM 88 OD1 ASP A 22 -14.045 -5.527 11.321 1.00 0.00 O ATOM 89 OD2 ASP A 22 -14.413 -5.846 9.190 1.00 0.00 O ATOM 0 H ASP A 22 -11.877 -1.778 9.633 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.840 -4.067 11.367 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.887 -3.027 10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.332 -3.649 8.750 1.00 0.00 H new ATOM 94 N PHE A 23 -10.180 -4.194 8.625 1.00 0.00 N ATOM 95 CA PHE A 23 -9.279 -5.009 7.827 1.00 0.00 C ATOM 96 C PHE A 23 -8.193 -5.619 8.702 1.00 0.00 C ATOM 97 O PHE A 23 -7.844 -5.089 9.759 1.00 0.00 O ATOM 98 CB PHE A 23 -8.632 -4.174 6.719 1.00 0.00 C ATOM 99 CG PHE A 23 -9.519 -3.940 5.526 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.480 -2.944 5.539 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.376 -4.713 4.384 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.285 -2.724 4.437 1.00 0.00 C ATOM 103 CE2 PHE A 23 -10.179 -4.499 3.279 1.00 0.00 C ATOM 104 CZ PHE A 23 -11.134 -3.503 3.306 1.00 0.00 C ATOM 0 H PHE A 23 -10.128 -3.194 8.430 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.864 -5.809 7.373 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.335 -3.210 7.132 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.721 -4.673 6.388 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.602 -2.332 6.420 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.628 -5.492 4.357 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.031 -1.944 4.460 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.059 -5.110 2.397 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.762 -3.333 2.444 1.00 0.00 H new ATOM 114 N LYS A 24 -7.659 -6.734 8.243 1.00 0.00 N ATOM 115 CA LYS A 24 -6.618 -7.449 8.958 1.00 0.00 C ATOM 116 C LYS A 24 -5.285 -6.774 8.691 1.00 0.00 C ATOM 117 O LYS A 24 -4.325 -6.929 9.445 1.00 0.00 O ATOM 118 CB LYS A 24 -6.577 -8.905 8.495 1.00 0.00 C ATOM 119 CG LYS A 24 -6.054 -9.877 9.538 1.00 0.00 C ATOM 120 CD LYS A 24 -6.042 -11.307 9.013 1.00 0.00 C ATOM 121 CE LYS A 24 -7.421 -11.766 8.557 1.00 0.00 C ATOM 122 NZ LYS A 24 -8.417 -11.745 9.663 1.00 0.00 N ATOM 0 H LYS A 24 -7.934 -7.171 7.363 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.825 -7.432 10.028 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.582 -9.210 8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.952 -8.974 7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.045 -9.588 9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.675 -9.822 10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.343 -11.380 8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.679 -11.975 9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.766 -11.123 7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.350 -12.776 8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.317 -12.144 9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.063 -12.311 10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.569 -10.765 9.975 1.00 0.00 H new ATOM 136 N VAL A 25 -5.248 -6.013 7.603 1.00 0.00 N ATOM 137 CA VAL A 25 -4.066 -5.268 7.227 1.00 0.00 C ATOM 138 C VAL A 25 -3.918 -4.014 8.081 1.00 0.00 C ATOM 139 O VAL A 25 -2.858 -3.405 8.100 1.00 0.00 O ATOM 140 CB VAL A 25 -4.103 -4.867 5.733 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.737 -5.956 4.893 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.817 -3.539 5.519 1.00 0.00 C ATOM 0 H VAL A 25 -6.035 -5.899 6.964 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.209 -5.921 7.395 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.070 -4.740 5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.750 -5.648 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.160 -6.875 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.758 -6.130 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.820 -3.295 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.844 -3.616 5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.299 -2.754 6.070 1.00 0.00 H new ATOM 152 N PHE A 26 -4.983 -3.643 8.793 1.00 0.00 N ATOM 153 CA PHE A 26 -4.992 -2.410 9.578 1.00 0.00 C ATOM 154 C PHE A 26 -3.778 -2.328 10.502 1.00 0.00 C ATOM 155 O PHE A 26 -3.004 -1.376 10.432 1.00 0.00 O ATOM 156 CB PHE A 26 -6.280 -2.304 10.396 1.00 0.00 C ATOM 157 CG PHE A 26 -6.362 -1.051 11.222 1.00 0.00 C ATOM 158 CD1 PHE A 26 -6.469 0.190 10.613 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.327 -1.114 12.604 1.00 0.00 C ATOM 160 CE1 PHE A 26 -6.541 1.343 11.370 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.399 0.034 13.366 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.506 1.265 12.748 1.00 0.00 C ATOM 0 H PHE A 26 -5.849 -4.179 8.842 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.944 -1.575 8.879 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.135 -2.341 9.720 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.356 -3.170 11.054 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.496 0.256 9.535 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.242 -2.074 13.092 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.625 2.304 10.885 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.372 -0.030 14.444 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.562 2.165 13.342 1.00 0.00 H new ATOM 172 N LYS A 27 -3.605 -3.338 11.345 1.00 0.00 N ATOM 173 CA LYS A 27 -2.499 -3.377 12.281 1.00 0.00 C ATOM 174 C LYS A 27 -1.164 -3.454 11.548 1.00 0.00 C ATOM 175 O LYS A 27 -0.200 -2.791 11.928 1.00 0.00 O ATOM 176 CB LYS A 27 -2.684 -4.585 13.198 1.00 0.00 C ATOM 177 CG LYS A 27 -1.401 -5.143 13.782 1.00 0.00 C ATOM 178 CD LYS A 27 -1.183 -4.713 15.227 1.00 0.00 C ATOM 179 CE LYS A 27 -1.032 -3.206 15.358 1.00 0.00 C ATOM 180 NZ LYS A 27 -0.893 -2.779 16.775 1.00 0.00 N ATOM 0 H LYS A 27 -4.225 -4.146 11.396 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.489 -2.462 12.873 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.347 -4.304 14.016 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.185 -5.375 12.638 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.425 -6.231 13.730 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.557 -4.813 13.177 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.024 -5.047 15.835 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.291 -5.202 15.620 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.158 -2.879 14.794 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.899 -2.715 14.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.793 -1.745 16.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.738 -3.067 17.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.051 -3.226 17.191 1.00 0.00 H new ATOM 194 N TYR A 28 -1.120 -4.247 10.487 1.00 0.00 N ATOM 195 CA TYR A 28 0.110 -4.441 9.737 1.00 0.00 C ATOM 196 C TYR A 28 0.550 -3.159 9.043 1.00 0.00 C ATOM 197 O TYR A 28 1.704 -2.761 9.148 1.00 0.00 O ATOM 198 CB TYR A 28 -0.052 -5.570 8.727 1.00 0.00 C ATOM 199 CG TYR A 28 0.134 -6.937 9.336 1.00 0.00 C ATOM 200 CD1 TYR A 28 1.409 -7.447 9.528 1.00 0.00 C ATOM 201 CD2 TYR A 28 -0.949 -7.713 9.718 1.00 0.00 C ATOM 202 CE1 TYR A 28 1.605 -8.689 10.085 1.00 0.00 C ATOM 203 CE2 TYR A 28 -0.764 -8.962 10.279 1.00 0.00 C ATOM 204 CZ TYR A 28 0.515 -9.446 10.460 1.00 0.00 C ATOM 205 OH TYR A 28 0.705 -10.690 11.021 1.00 0.00 O ATOM 0 H TYR A 28 -1.921 -4.765 10.127 1.00 0.00 H new ATOM 0 HA TYR A 28 0.891 -4.717 10.446 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.044 -5.510 8.279 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.670 -5.436 7.922 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.265 -6.857 9.234 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.951 -7.336 9.575 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.606 -9.069 10.228 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.616 -9.556 10.574 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.165 -11.091 11.229 1.00 0.00 H new ATOM 215 N MET A 29 -0.368 -2.518 8.339 1.00 0.00 N ATOM 216 CA MET A 29 -0.098 -1.234 7.709 1.00 0.00 C ATOM 217 C MET A 29 0.250 -0.174 8.755 1.00 0.00 C ATOM 218 O MET A 29 1.066 0.712 8.507 1.00 0.00 O ATOM 219 CB MET A 29 -1.302 -0.793 6.869 1.00 0.00 C ATOM 220 CG MET A 29 -1.331 -1.397 5.470 1.00 0.00 C ATOM 221 SD MET A 29 -1.219 -3.192 5.455 1.00 0.00 S ATOM 222 CE MET A 29 -1.283 -3.502 3.693 1.00 0.00 C ATOM 0 H MET A 29 -1.314 -2.868 8.188 1.00 0.00 H new ATOM 0 HA MET A 29 0.763 -1.348 7.050 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.218 -1.067 7.392 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.296 0.294 6.785 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.253 -1.095 4.973 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.506 -0.985 4.889 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.194 -4.050 3.453 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.278 -2.553 3.156 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.416 -4.092 3.396 1.00 0.00 H new ATOM 232 N LYS A 30 -0.354 -0.279 9.931 1.00 0.00 N ATOM 233 CA LYS A 30 -0.075 0.656 11.013 1.00 0.00 C ATOM 234 C LYS A 30 1.330 0.469 11.578 1.00 0.00 C ATOM 235 O LYS A 30 2.009 1.445 11.888 1.00 0.00 O ATOM 236 CB LYS A 30 -1.119 0.531 12.123 1.00 0.00 C ATOM 237 CG LYS A 30 -2.402 1.310 11.847 1.00 0.00 C ATOM 238 CD LYS A 30 -2.132 2.773 11.518 1.00 0.00 C ATOM 239 CE LYS A 30 -1.323 3.449 12.606 1.00 0.00 C ATOM 240 NZ LYS A 30 -1.025 4.870 12.284 1.00 0.00 N ATOM 0 H LYS A 30 -1.038 -1.000 10.160 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.130 1.660 10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.366 -0.522 12.261 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.685 0.882 13.059 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.935 0.846 11.017 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.055 1.250 12.718 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.597 2.841 10.571 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.078 3.298 11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.870 3.399 13.547 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.388 2.907 12.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.529 5.311 13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.423 4.915 11.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.914 5.379 12.105 1.00 0.00 H new ATOM 254 N ILE A 31 1.775 -0.775 11.710 1.00 0.00 N ATOM 255 CA ILE A 31 3.129 -1.027 12.189 1.00 0.00 C ATOM 256 C ILE A 31 4.124 -0.879 11.047 1.00 0.00 C ATOM 257 O ILE A 31 5.305 -0.648 11.274 1.00 0.00 O ATOM 258 CB ILE A 31 3.283 -2.416 12.847 1.00 0.00 C ATOM 259 CG1 ILE A 31 3.168 -3.534 11.809 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.246 -2.589 13.946 1.00 0.00 C ATOM 261 CD1 ILE A 31 3.150 -4.925 12.407 1.00 0.00 C ATOM 0 H ILE A 31 1.230 -1.611 11.497 1.00 0.00 H new ATOM 0 HA ILE A 31 3.336 -0.284 12.960 1.00 0.00 H new ATOM 0 HB ILE A 31 4.277 -2.479 13.290 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.257 -3.386 11.229 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.004 -3.459 11.114 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.362 -3.571 14.404 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.385 -1.817 14.703 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.246 -2.503 13.520 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.067 -5.663 11.609 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.072 -5.094 12.963 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.298 -5.021 13.080 1.00 0.00 H new ATOM 273 N LEU A 32 3.633 -1.014 9.818 1.00 0.00 N ATOM 274 CA LEU A 32 4.422 -0.724 8.627 1.00 0.00 C ATOM 275 C LEU A 32 4.886 0.723 8.699 1.00 0.00 C ATOM 276 O LEU A 32 6.066 1.023 8.509 1.00 0.00 O ATOM 277 CB LEU A 32 3.564 -0.970 7.373 1.00 0.00 C ATOM 278 CG LEU A 32 4.300 -1.017 6.027 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.398 -1.627 4.965 1.00 0.00 C ATOM 280 CD2 LEU A 32 4.746 0.371 5.591 1.00 0.00 C ATOM 0 H LEU A 32 2.682 -1.326 9.621 1.00 0.00 H new ATOM 0 HA LEU A 32 5.294 -1.375 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.035 -1.914 7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.809 -0.186 7.320 1.00 0.00 H new ATOM 0 HG LEU A 32 5.189 -1.635 6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.927 -1.657 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.123 -2.640 5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.497 -1.022 4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.264 0.303 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.874 1.017 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.420 0.789 6.339 1.00 0.00 H new ATOM 292 N GLU A 33 3.934 1.598 9.003 1.00 0.00 N ATOM 293 CA GLU A 33 4.190 3.014 9.216 1.00 0.00 C ATOM 294 C GLU A 33 5.373 3.214 10.161 1.00 0.00 C ATOM 295 O GLU A 33 6.315 3.952 9.865 1.00 0.00 O ATOM 296 CB GLU A 33 2.950 3.651 9.829 1.00 0.00 C ATOM 297 CG GLU A 33 2.675 5.052 9.341 1.00 0.00 C ATOM 298 CD GLU A 33 1.632 5.758 10.176 1.00 0.00 C ATOM 299 OE1 GLU A 33 0.426 5.467 10.009 1.00 0.00 O ATOM 300 OE2 GLU A 33 2.009 6.608 11.007 1.00 0.00 O ATOM 0 H GLU A 33 2.953 1.339 9.109 1.00 0.00 H new ATOM 0 HA GLU A 33 4.426 3.478 8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.086 3.024 9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.062 3.670 10.913 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.600 5.628 9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.342 5.014 8.304 1.00 0.00 H new ATOM 307 N GLU A 34 5.309 2.533 11.293 1.00 0.00 N ATOM 308 CA GLU A 34 6.327 2.628 12.327 1.00 0.00 C ATOM 309 C GLU A 34 7.642 1.987 11.890 1.00 0.00 C ATOM 310 O GLU A 34 8.697 2.619 11.940 1.00 0.00 O ATOM 311 CB GLU A 34 5.817 1.942 13.597 1.00 0.00 C ATOM 312 CG GLU A 34 6.892 1.696 14.641 1.00 0.00 C ATOM 313 CD GLU A 34 6.383 0.882 15.810 1.00 0.00 C ATOM 314 OE1 GLU A 34 6.430 -0.363 15.739 1.00 0.00 O ATOM 315 OE2 GLU A 34 5.933 1.480 16.807 1.00 0.00 O ATOM 0 H GLU A 34 4.546 1.896 11.522 1.00 0.00 H new ATOM 0 HA GLU A 34 6.521 3.684 12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.031 2.555 14.038 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.364 0.989 13.326 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.732 1.178 14.179 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.268 2.652 15.004 1.00 0.00 H new ATOM 322 N ALA A 35 7.556 0.747 11.436 1.00 0.00 N ATOM 323 CA ALA A 35 8.721 -0.110 11.246 1.00 0.00 C ATOM 324 C ALA A 35 9.637 0.378 10.129 1.00 0.00 C ATOM 325 O ALA A 35 10.861 0.277 10.243 1.00 0.00 O ATOM 326 CB ALA A 35 8.271 -1.539 10.981 1.00 0.00 C ATOM 0 H ALA A 35 6.673 0.302 11.187 1.00 0.00 H new ATOM 0 HA ALA A 35 9.305 -0.072 12.165 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.145 -2.175 10.840 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.692 -1.901 11.830 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.654 -1.565 10.083 1.00 0.00 H new ATOM 332 N MET A 36 9.051 0.903 9.059 1.00 0.00 N ATOM 333 CA MET A 36 9.826 1.381 7.921 1.00 0.00 C ATOM 334 C MET A 36 10.822 2.460 8.329 1.00 0.00 C ATOM 335 O MET A 36 11.996 2.399 7.964 1.00 0.00 O ATOM 336 CB MET A 36 8.889 1.905 6.837 1.00 0.00 C ATOM 337 CG MET A 36 8.111 0.804 6.146 1.00 0.00 C ATOM 338 SD MET A 36 9.158 -0.262 5.137 1.00 0.00 S ATOM 339 CE MET A 36 7.944 -1.388 4.455 1.00 0.00 C ATOM 0 H MET A 36 8.042 1.008 8.956 1.00 0.00 H new ATOM 0 HA MET A 36 10.398 0.540 7.528 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.190 2.614 7.280 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.470 2.453 6.095 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.601 0.200 6.896 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.340 1.249 5.517 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.441 -2.110 3.807 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.440 -1.915 5.266 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.211 -0.826 3.877 1.00 0.00 H new ATOM 349 N GLU A 37 10.364 3.438 9.097 1.00 0.00 N ATOM 350 CA GLU A 37 11.246 4.517 9.528 1.00 0.00 C ATOM 351 C GLU A 37 11.901 4.173 10.868 1.00 0.00 C ATOM 352 O GLU A 37 12.803 4.868 11.330 1.00 0.00 O ATOM 353 CB GLU A 37 10.491 5.847 9.616 1.00 0.00 C ATOM 354 CG GLU A 37 11.400 7.047 9.852 1.00 0.00 C ATOM 355 CD GLU A 37 10.643 8.355 9.945 1.00 0.00 C ATOM 356 OE1 GLU A 37 10.016 8.609 10.994 1.00 0.00 O ATOM 357 OE2 GLU A 37 10.686 9.150 8.984 1.00 0.00 O ATOM 0 H GLU A 37 9.403 3.509 9.431 1.00 0.00 H new ATOM 0 HA GLU A 37 12.031 4.630 8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.932 6.000 8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.762 5.789 10.424 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.963 6.893 10.773 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.126 7.111 9.041 1.00 0.00 H new ATOM 364 N ASN A 38 11.445 3.087 11.487 1.00 0.00 N ATOM 365 CA ASN A 38 12.040 2.613 12.736 1.00 0.00 C ATOM 366 C ASN A 38 13.451 2.110 12.458 1.00 0.00 C ATOM 367 O ASN A 38 14.313 2.120 13.338 1.00 0.00 O ATOM 368 CB ASN A 38 11.175 1.495 13.349 1.00 0.00 C ATOM 369 CG ASN A 38 11.459 1.205 14.824 1.00 0.00 C ATOM 370 OD1 ASN A 38 10.555 0.827 15.565 1.00 0.00 O ATOM 371 ND2 ASN A 38 12.698 1.356 15.262 1.00 0.00 N ATOM 0 H ASN A 38 10.669 2.520 11.147 1.00 0.00 H new ATOM 0 HA ASN A 38 12.087 3.433 13.452 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.125 1.766 13.241 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.328 0.580 12.777 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.922 1.157 16.237 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.429 1.671 14.625 1.00 0.00 H new ATOM 378 N ASP A 39 13.680 1.685 11.218 1.00 0.00 N ATOM 379 CA ASP A 39 14.998 1.244 10.786 1.00 0.00 C ATOM 380 C ASP A 39 16.023 2.330 11.070 1.00 0.00 C ATOM 381 O ASP A 39 15.885 3.472 10.626 1.00 0.00 O ATOM 382 CB ASP A 39 14.990 0.911 9.294 1.00 0.00 C ATOM 383 CG ASP A 39 16.312 0.333 8.830 1.00 0.00 C ATOM 384 OD1 ASP A 39 16.473 -0.905 8.886 1.00 0.00 O ATOM 385 OD2 ASP A 39 17.196 1.110 8.414 1.00 0.00 O ATOM 0 H ASP A 39 12.964 1.638 10.493 1.00 0.00 H new ATOM 0 HA ASP A 39 15.264 0.344 11.340 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.191 0.199 9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.769 1.813 8.723 1.00 0.00 H new ATOM 390 N THR A 40 17.031 1.956 11.848 1.00 0.00 N ATOM 391 CA THR A 40 18.034 2.865 12.349 1.00 0.00 C ATOM 392 C THR A 40 18.677 3.706 11.252 1.00 0.00 C ATOM 393 O THR A 40 18.951 4.888 11.453 1.00 0.00 O ATOM 394 CB THR A 40 19.116 2.064 13.079 1.00 0.00 C ATOM 395 OG1 THR A 40 18.545 0.847 13.588 1.00 0.00 O ATOM 396 CG2 THR A 40 19.677 2.869 14.226 1.00 0.00 C ATOM 0 H THR A 40 17.170 0.992 12.150 1.00 0.00 H new ATOM 0 HA THR A 40 17.535 3.557 13.028 1.00 0.00 H new ATOM 0 HB THR A 40 19.920 1.834 12.379 1.00 0.00 H new ATOM 0 HG1 THR A 40 19.236 0.332 14.054 1.00 0.00 H new ATOM 0 HG21 THR A 40 20.445 2.288 14.737 1.00 0.00 H new ATOM 0 HG22 THR A 40 20.114 3.792 13.844 1.00 0.00 H new ATOM 0 HG23 THR A 40 18.878 3.109 14.927 1.00 0.00 H new ATOM 404 N GLU A 41 18.936 3.096 10.105 1.00 0.00 N ATOM 405 CA GLU A 41 19.560 3.800 8.994 1.00 0.00 C ATOM 406 C GLU A 41 18.541 4.154 7.918 1.00 0.00 C ATOM 407 O GLU A 41 18.921 4.464 6.789 1.00 0.00 O ATOM 408 CB GLU A 41 20.689 2.959 8.408 1.00 0.00 C ATOM 409 CG GLU A 41 21.808 2.696 9.401 1.00 0.00 C ATOM 410 CD GLU A 41 22.965 1.930 8.799 1.00 0.00 C ATOM 411 OE1 GLU A 41 23.903 2.572 8.279 1.00 0.00 O ATOM 412 OE2 GLU A 41 22.955 0.685 8.859 1.00 0.00 O ATOM 0 H GLU A 41 18.724 2.116 9.919 1.00 0.00 H new ATOM 0 HA GLU A 41 19.975 4.733 9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 41 20.285 2.007 8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 41 21.097 3.467 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 41 22.172 3.647 9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.411 2.137 10.248 1.00 0.00 H new ATOM 419 N ASN A 42 17.258 4.141 8.316 1.00 0.00 N ATOM 420 CA ASN A 42 16.094 4.390 7.442 1.00 0.00 C ATOM 421 C ASN A 42 16.401 4.148 5.969 1.00 0.00 C ATOM 422 O ASN A 42 16.576 5.079 5.174 1.00 0.00 O ATOM 423 CB ASN A 42 15.436 5.779 7.679 1.00 0.00 C ATOM 424 CG ASN A 42 16.268 7.000 7.291 1.00 0.00 C ATOM 425 OD1 ASN A 42 17.574 6.937 7.457 1.00 0.00 O flip ATOM 426 ND2 ASN A 42 15.717 8.017 6.872 1.00 0.00 N flip ATOM 0 H ASN A 42 16.992 3.952 9.282 1.00 0.00 H new ATOM 0 HA ASN A 42 15.351 3.648 7.734 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.500 5.813 7.122 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.182 5.861 8.736 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.704 8.036 6.754 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.273 8.841 6.643 1.00 0.00 H new ATOM 433 N LEU A 43 16.453 2.867 5.617 1.00 0.00 N ATOM 434 CA LEU A 43 16.738 2.433 4.253 1.00 0.00 C ATOM 435 C LEU A 43 15.621 2.848 3.301 1.00 0.00 C ATOM 436 O LEU A 43 15.700 2.610 2.095 1.00 0.00 O ATOM 437 CB LEU A 43 16.910 0.913 4.212 1.00 0.00 C ATOM 438 CG LEU A 43 17.954 0.347 5.176 1.00 0.00 C ATOM 439 CD1 LEU A 43 18.008 -1.168 5.071 1.00 0.00 C ATOM 440 CD2 LEU A 43 19.324 0.946 4.899 1.00 0.00 C ATOM 0 H LEU A 43 16.298 2.099 6.270 1.00 0.00 H new ATOM 0 HA LEU A 43 17.662 2.913 3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.948 0.449 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.181 0.622 3.197 1.00 0.00 H new ATOM 0 HG LEU A 43 17.662 0.615 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 43 18.756 -1.554 5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 43 17.032 -1.585 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 43 18.275 -1.453 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 43 20.051 0.529 5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.624 0.711 3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.280 2.028 5.024 1.00 0.00 H new ATOM 452 N ILE A 44 14.591 3.480 3.853 1.00 0.00 N ATOM 453 CA ILE A 44 13.460 3.958 3.071 1.00 0.00 C ATOM 454 C ILE A 44 13.924 4.942 1.995 1.00 0.00 C ATOM 455 O ILE A 44 13.296 5.076 0.946 1.00 0.00 O ATOM 456 CB ILE A 44 12.408 4.649 3.970 1.00 0.00 C ATOM 457 CG1 ILE A 44 11.066 4.725 3.250 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.862 6.046 4.374 1.00 0.00 C ATOM 459 CD1 ILE A 44 10.304 3.420 3.241 1.00 0.00 C ATOM 0 H ILE A 44 14.518 3.674 4.852 1.00 0.00 H new ATOM 0 HA ILE A 44 13.003 3.089 2.597 1.00 0.00 H new ATOM 0 HB ILE A 44 12.295 4.052 4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.452 5.490 3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.234 5.044 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.102 6.507 5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.800 5.979 4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.009 6.653 3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.361 3.553 2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.897 2.656 2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.104 3.109 4.266 1.00 0.00 H new ATOM 471 N GLU A 45 15.044 5.612 2.254 1.00 0.00 N ATOM 472 CA GLU A 45 15.554 6.617 1.339 1.00 0.00 C ATOM 473 C GLU A 45 16.249 5.978 0.145 1.00 0.00 C ATOM 474 O GLU A 45 16.493 6.634 -0.867 1.00 0.00 O ATOM 475 CB GLU A 45 16.504 7.570 2.056 1.00 0.00 C ATOM 476 CG GLU A 45 15.834 8.352 3.169 1.00 0.00 C ATOM 477 CD GLU A 45 16.660 9.531 3.620 1.00 0.00 C ATOM 478 OE1 GLU A 45 16.557 10.602 2.986 1.00 0.00 O ATOM 479 OE2 GLU A 45 17.416 9.396 4.605 1.00 0.00 O ATOM 0 H GLU A 45 15.612 5.474 3.090 1.00 0.00 H new ATOM 0 HA GLU A 45 14.702 7.187 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.336 7.001 2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.924 8.268 1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.860 8.703 2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.655 7.691 4.017 1.00 0.00 H new ATOM 486 N LYS A 46 16.548 4.693 0.258 1.00 0.00 N ATOM 487 CA LYS A 46 17.198 3.967 -0.821 1.00 0.00 C ATOM 488 C LYS A 46 16.159 3.372 -1.761 1.00 0.00 C ATOM 489 O LYS A 46 16.479 2.917 -2.857 1.00 0.00 O ATOM 490 CB LYS A 46 18.089 2.869 -0.254 1.00 0.00 C ATOM 491 CG LYS A 46 19.223 3.424 0.580 1.00 0.00 C ATOM 492 CD LYS A 46 19.946 2.335 1.350 1.00 0.00 C ATOM 493 CE LYS A 46 20.932 2.918 2.351 1.00 0.00 C ATOM 494 NZ LYS A 46 21.947 3.789 1.706 1.00 0.00 N ATOM 0 H LYS A 46 16.351 4.132 1.086 1.00 0.00 H new ATOM 0 HA LYS A 46 17.818 4.663 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.488 2.195 0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.499 2.277 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.931 3.941 -0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.831 4.163 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.219 1.715 1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 46 20.475 1.686 0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 46 20.388 3.493 3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.435 2.106 2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.654 4.079 2.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 22.417 3.266 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.482 4.633 1.314 1.00 0.00 H new ATOM 508 N VAL A 47 14.915 3.381 -1.313 1.00 0.00 N ATOM 509 CA VAL A 47 13.805 2.845 -2.083 1.00 0.00 C ATOM 510 C VAL A 47 12.654 3.857 -2.107 1.00 0.00 C ATOM 511 O VAL A 47 11.475 3.499 -2.101 1.00 0.00 O ATOM 512 CB VAL A 47 13.354 1.472 -1.521 1.00 0.00 C ATOM 513 CG1 VAL A 47 12.886 1.591 -0.081 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.280 0.829 -2.394 1.00 0.00 C ATOM 0 H VAL A 47 14.646 3.760 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 47 14.131 2.677 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 47 14.225 0.817 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.577 0.611 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.702 1.967 0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.043 2.280 -0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.991 -0.131 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.409 1.483 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 47 12.672 0.675 -3.399 1.00 0.00 H new ATOM 524 N ARG A 48 13.014 5.141 -2.099 1.00 0.00 N ATOM 525 CA ARG A 48 12.022 6.210 -2.102 1.00 0.00 C ATOM 526 C ARG A 48 11.026 6.035 -3.229 1.00 0.00 C ATOM 527 O ARG A 48 11.345 6.208 -4.406 1.00 0.00 O ATOM 528 CB ARG A 48 12.670 7.586 -2.202 1.00 0.00 C ATOM 529 CG ARG A 48 13.243 8.070 -0.891 1.00 0.00 C ATOM 530 CD ARG A 48 13.503 9.567 -0.936 1.00 0.00 C ATOM 531 NE ARG A 48 14.046 10.089 0.319 1.00 0.00 N ATOM 532 CZ ARG A 48 13.740 11.291 0.814 1.00 0.00 C ATOM 533 NH1 ARG A 48 12.869 12.071 0.185 1.00 0.00 N ATOM 534 NH2 ARG A 48 14.313 11.719 1.932 1.00 0.00 N ATOM 0 H ARG A 48 13.982 5.462 -2.090 1.00 0.00 H new ATOM 0 HA ARG A 48 11.495 6.146 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.464 7.553 -2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.930 8.304 -2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.552 7.841 -0.080 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.172 7.541 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.199 9.786 -1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.572 10.085 -1.167 1.00 0.00 H new ATOM 0 HE ARG A 48 14.694 9.502 0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.431 11.753 -0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.638 12.988 0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.990 11.129 2.416 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.077 12.638 2.307 1.00 0.00 H new ATOM 548 N GLY A 49 9.819 5.701 -2.839 1.00 0.00 N ATOM 549 CA GLY A 49 8.770 5.419 -3.788 1.00 0.00 C ATOM 550 C GLY A 49 7.439 5.266 -3.102 1.00 0.00 C ATOM 551 O GLY A 49 7.383 4.964 -1.917 1.00 0.00 O ATOM 0 H GLY A 49 9.538 5.618 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.714 6.224 -4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.007 4.506 -4.335 1.00 0.00 H new ATOM 555 N ILE A 50 6.366 5.493 -3.821 1.00 0.00 N ATOM 556 CA ILE A 50 5.046 5.378 -3.239 1.00 0.00 C ATOM 557 C ILE A 50 4.443 4.015 -3.536 1.00 0.00 C ATOM 558 O ILE A 50 4.385 3.584 -4.688 1.00 0.00 O ATOM 559 CB ILE A 50 4.130 6.509 -3.736 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.728 7.847 -3.302 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.713 6.339 -3.202 1.00 0.00 C ATOM 562 CD1 ILE A 50 3.957 9.054 -3.767 1.00 0.00 C ATOM 0 H ILE A 50 6.378 5.757 -4.806 1.00 0.00 H new ATOM 0 HA ILE A 50 5.140 5.474 -2.157 1.00 0.00 H new ATOM 0 HB ILE A 50 4.065 6.477 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.790 7.868 -2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.748 7.915 -3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.086 7.152 -3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.308 5.386 -3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.730 6.357 -2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.451 9.959 -3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.917 9.063 -4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.944 9.015 -3.367 1.00 0.00 H new ATOM 574 N TYR A 51 4.015 3.336 -2.485 1.00 0.00 N ATOM 575 CA TYR A 51 3.495 1.987 -2.608 1.00 0.00 C ATOM 576 C TYR A 51 1.980 2.003 -2.485 1.00 0.00 C ATOM 577 O TYR A 51 1.437 2.396 -1.455 1.00 0.00 O ATOM 578 CB TYR A 51 4.086 1.079 -1.525 1.00 0.00 C ATOM 579 CG TYR A 51 5.574 1.261 -1.301 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.481 1.165 -2.349 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.067 1.526 -0.032 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.836 1.333 -2.135 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.418 1.694 0.189 1.00 0.00 C ATOM 584 CZ TYR A 51 8.298 1.599 -0.864 1.00 0.00 C ATOM 585 OH TYR A 51 9.644 1.767 -0.642 1.00 0.00 O ATOM 0 H TYR A 51 4.018 3.701 -1.532 1.00 0.00 H new ATOM 0 HA TYR A 51 3.778 1.598 -3.586 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.564 1.265 -0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.896 0.040 -1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.122 0.956 -3.346 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.380 1.602 0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.529 1.256 -2.960 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.783 1.899 1.184 1.00 0.00 H new ATOM 0 HH TYR A 51 9.981 2.491 -1.210 1.00 0.00 H new ATOM 595 N GLY A 52 1.303 1.595 -3.539 1.00 0.00 N ATOM 596 CA GLY A 52 -0.139 1.541 -3.508 1.00 0.00 C ATOM 597 C GLY A 52 -0.628 0.143 -3.228 1.00 0.00 C ATOM 598 O GLY A 52 -0.490 -0.747 -4.063 1.00 0.00 O ATOM 0 H GLY A 52 1.726 1.299 -4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.514 2.220 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.539 1.884 -4.462 1.00 0.00 H new ATOM 602 N PHE A 53 -1.180 -0.064 -2.051 1.00 0.00 N ATOM 603 CA PHE A 53 -1.655 -1.383 -1.670 1.00 0.00 C ATOM 604 C PHE A 53 -3.153 -1.516 -1.880 1.00 0.00 C ATOM 605 O PHE A 53 -3.957 -0.990 -1.107 1.00 0.00 O ATOM 606 CB PHE A 53 -1.292 -1.696 -0.217 1.00 0.00 C ATOM 607 CG PHE A 53 0.038 -2.381 -0.064 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.218 -1.721 -0.369 1.00 0.00 C ATOM 609 CD2 PHE A 53 0.103 -3.690 0.383 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.438 -2.356 -0.229 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.318 -4.330 0.525 1.00 0.00 C ATOM 612 CZ PHE A 53 2.489 -3.662 0.219 1.00 0.00 C ATOM 0 H PHE A 53 -1.312 0.658 -1.343 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.158 -2.107 -2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.281 -0.768 0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.068 -2.327 0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.184 -0.700 -0.720 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.808 -4.217 0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.351 -1.831 -0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.354 -5.351 0.875 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.441 -4.160 0.330 1.00 0.00 H new ATOM 622 N LYS A 54 -3.513 -2.212 -2.945 1.00 0.00 N ATOM 623 CA LYS A 54 -4.899 -2.539 -3.225 1.00 0.00 C ATOM 624 C LYS A 54 -5.245 -3.864 -2.564 1.00 0.00 C ATOM 625 O LYS A 54 -4.924 -4.934 -3.084 1.00 0.00 O ATOM 626 CB LYS A 54 -5.131 -2.623 -4.733 1.00 0.00 C ATOM 627 CG LYS A 54 -5.157 -1.277 -5.434 1.00 0.00 C ATOM 628 CD LYS A 54 -5.242 -1.447 -6.941 1.00 0.00 C ATOM 629 CE LYS A 54 -5.509 -0.126 -7.643 1.00 0.00 C ATOM 630 NZ LYS A 54 -6.884 0.376 -7.380 1.00 0.00 N ATOM 0 H LYS A 54 -2.853 -2.565 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.542 -1.756 -2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.346 -3.236 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.076 -3.134 -4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.010 -0.696 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.260 -0.713 -5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.310 -1.874 -7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.035 -2.154 -7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.782 0.615 -7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.368 -0.251 -8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.103 1.149 -8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.567 -0.397 -7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.944 0.727 -6.403 1.00 0.00 H new ATOM 644 N VAL A 55 -5.888 -3.790 -1.412 1.00 0.00 N ATOM 645 CA VAL A 55 -6.176 -4.976 -0.627 1.00 0.00 C ATOM 646 C VAL A 55 -7.595 -5.467 -0.896 1.00 0.00 C ATOM 647 O VAL A 55 -8.562 -4.735 -0.704 1.00 0.00 O ATOM 648 CB VAL A 55 -5.999 -4.701 0.880 1.00 0.00 C ATOM 649 CG1 VAL A 55 -6.090 -5.989 1.679 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.673 -4.003 1.145 1.00 0.00 C ATOM 0 H VAL A 55 -6.221 -2.919 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.468 -5.749 -0.925 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.806 -4.043 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.962 -5.769 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.065 -6.448 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.308 -6.675 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.567 -3.818 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.854 -4.636 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.647 -3.055 0.608 1.00 0.00 H new ATOM 660 N ARG A 56 -7.710 -6.701 -1.353 1.00 0.00 N ATOM 661 CA ARG A 56 -9.006 -7.279 -1.678 1.00 0.00 C ATOM 662 C ARG A 56 -9.379 -8.332 -0.640 1.00 0.00 C ATOM 663 O ARG A 56 -8.603 -8.595 0.274 1.00 0.00 O ATOM 664 CB ARG A 56 -8.969 -7.905 -3.075 1.00 0.00 C ATOM 665 CG ARG A 56 -8.292 -7.024 -4.116 1.00 0.00 C ATOM 666 CD ARG A 56 -8.530 -7.539 -5.525 1.00 0.00 C ATOM 667 NE ARG A 56 -9.934 -7.420 -5.911 1.00 0.00 N ATOM 668 CZ ARG A 56 -10.515 -8.140 -6.865 1.00 0.00 C ATOM 669 NH1 ARG A 56 -9.806 -9.005 -7.582 1.00 0.00 N ATOM 670 NH2 ARG A 56 -11.807 -7.976 -7.117 1.00 0.00 N ATOM 0 H ARG A 56 -6.919 -7.326 -1.509 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.758 -6.490 -1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.446 -8.860 -3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.989 -8.117 -3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.670 -6.005 -4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.221 -6.984 -3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.911 -6.980 -6.227 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.222 -8.583 -5.589 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.507 -6.738 -5.415 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.809 -9.120 -7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.259 -9.554 -8.313 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.350 -7.300 -6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.258 -8.526 -7.848 1.00 0.00 H new ATOM 684 N ASN A 57 -10.564 -8.926 -0.787 1.00 0.00 N ATOM 685 CA ASN A 57 -11.026 -9.982 0.123 1.00 0.00 C ATOM 686 C ASN A 57 -11.134 -9.463 1.555 1.00 0.00 C ATOM 687 O ASN A 57 -10.716 -10.125 2.509 1.00 0.00 O ATOM 688 CB ASN A 57 -10.087 -11.195 0.071 1.00 0.00 C ATOM 689 CG ASN A 57 -10.134 -11.915 -1.263 1.00 0.00 C ATOM 690 OD1 ASN A 57 -9.382 -11.596 -2.187 1.00 0.00 O ATOM 691 ND2 ASN A 57 -11.014 -12.898 -1.371 1.00 0.00 N ATOM 0 H ASN A 57 -11.225 -8.695 -1.529 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.017 -10.293 -0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.066 -10.867 0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.356 -11.892 0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.088 -13.423 -2.242 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.618 -13.131 -0.583 1.00 0.00 H new ATOM 698 N GLY A 58 -11.691 -8.267 1.689 1.00 0.00 N ATOM 699 CA GLY A 58 -11.852 -7.655 2.993 1.00 0.00 C ATOM 700 C GLY A 58 -13.012 -8.232 3.787 1.00 0.00 C ATOM 701 O GLY A 58 -13.431 -9.365 3.541 1.00 0.00 O ATOM 0 H GLY A 58 -12.037 -7.706 0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.932 -7.782 3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.004 -6.583 2.868 1.00 0.00 H new ATOM 705 N PRO A 59 -13.554 -7.449 4.741 1.00 0.00 N ATOM 706 CA PRO A 59 -14.627 -7.884 5.643 1.00 0.00 C ATOM 707 C PRO A 59 -15.737 -8.663 4.938 1.00 0.00 C ATOM 708 O PRO A 59 -15.992 -9.826 5.251 1.00 0.00 O ATOM 709 CB PRO A 59 -15.185 -6.574 6.187 1.00 0.00 C ATOM 710 CG PRO A 59 -14.087 -5.573 6.068 1.00 0.00 C ATOM 711 CD PRO A 59 -13.132 -6.067 5.019 1.00 0.00 C ATOM 0 HA PRO A 59 -14.245 -8.566 6.402 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.062 -6.259 5.621 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.499 -6.686 7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.487 -4.597 5.792 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.576 -5.450 7.023 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.179 -5.451 4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.102 -6.033 5.375 1.00 0.00 H new ATOM 719 N ASN A 60 -16.393 -8.018 3.983 1.00 0.00 N ATOM 720 CA ASN A 60 -17.443 -8.666 3.207 1.00 0.00 C ATOM 721 C ASN A 60 -17.009 -8.790 1.757 1.00 0.00 C ATOM 722 O ASN A 60 -17.759 -8.452 0.840 1.00 0.00 O ATOM 723 CB ASN A 60 -18.754 -7.876 3.292 1.00 0.00 C ATOM 724 CG ASN A 60 -19.243 -7.698 4.715 1.00 0.00 C ATOM 725 OD1 ASN A 60 -18.925 -6.708 5.376 1.00 0.00 O ATOM 726 ND2 ASN A 60 -20.021 -8.654 5.197 1.00 0.00 N ATOM 0 H ASN A 60 -16.217 -7.047 3.727 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.614 -9.659 3.622 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.612 -6.896 2.837 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.520 -8.389 2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -20.381 -8.587 6.149 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.261 -9.458 4.616 1.00 0.00 H new ATOM 733 N GLY A 61 -15.786 -9.264 1.556 1.00 0.00 N ATOM 734 CA GLY A 61 -15.229 -9.323 0.220 1.00 0.00 C ATOM 735 C GLY A 61 -14.884 -7.943 -0.293 1.00 0.00 C ATOM 736 O GLY A 61 -14.782 -7.718 -1.499 1.00 0.00 O ATOM 0 H GLY A 61 -15.171 -9.608 2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.335 -9.946 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.944 -9.796 -0.454 1.00 0.00 H new ATOM 740 N ALA A 62 -14.698 -7.022 0.640 1.00 0.00 N ATOM 741 CA ALA A 62 -14.447 -5.626 0.317 1.00 0.00 C ATOM 742 C ALA A 62 -13.051 -5.417 -0.234 1.00 0.00 C ATOM 743 O ALA A 62 -12.202 -6.309 -0.189 1.00 0.00 O ATOM 744 CB ALA A 62 -14.653 -4.763 1.549 1.00 0.00 C ATOM 0 H ALA A 62 -14.717 -7.221 1.640 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.156 -5.333 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.463 -3.719 1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.679 -4.871 1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.965 -5.079 2.333 1.00 0.00 H new ATOM 750 N GLU A 63 -12.828 -4.223 -0.743 1.00 0.00 N ATOM 751 CA GLU A 63 -11.565 -3.863 -1.340 1.00 0.00 C ATOM 752 C GLU A 63 -11.076 -2.530 -0.806 1.00 0.00 C ATOM 753 O GLU A 63 -11.653 -1.477 -1.081 1.00 0.00 O ATOM 754 CB GLU A 63 -11.718 -3.833 -2.853 1.00 0.00 C ATOM 755 CG GLU A 63 -11.527 -5.198 -3.477 1.00 0.00 C ATOM 756 CD GLU A 63 -11.982 -5.270 -4.916 1.00 0.00 C ATOM 757 OE1 GLU A 63 -11.502 -4.468 -5.737 1.00 0.00 O ATOM 758 OE2 GLU A 63 -12.791 -6.166 -5.242 1.00 0.00 O ATOM 0 H GLU A 63 -13.521 -3.475 -0.753 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.814 -4.608 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.708 -3.455 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.992 -3.138 -3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.473 -5.469 -3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.076 -5.936 -2.893 1.00 0.00 H new ATOM 765 N GLY A 64 -10.015 -2.595 -0.027 1.00 0.00 N ATOM 766 CA GLY A 64 -9.448 -1.410 0.575 1.00 0.00 C ATOM 767 C GLY A 64 -8.232 -0.934 -0.183 1.00 0.00 C ATOM 768 O GLY A 64 -7.721 -1.646 -1.051 1.00 0.00 O ATOM 0 H GLY A 64 -9.528 -3.461 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.197 -0.618 0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.175 -1.621 1.609 1.00 0.00 H new ATOM 772 N TYR A 65 -7.759 0.258 0.136 1.00 0.00 N ATOM 773 CA TYR A 65 -6.631 0.830 -0.574 1.00 0.00 C ATOM 774 C TYR A 65 -5.824 1.755 0.332 1.00 0.00 C ATOM 775 O TYR A 65 -6.336 2.762 0.828 1.00 0.00 O ATOM 776 CB TYR A 65 -7.131 1.583 -1.808 1.00 0.00 C ATOM 777 CG TYR A 65 -6.032 2.177 -2.652 1.00 0.00 C ATOM 778 CD1 TYR A 65 -4.970 1.398 -3.091 1.00 0.00 C ATOM 779 CD2 TYR A 65 -6.062 3.514 -3.016 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.968 1.938 -3.869 1.00 0.00 C ATOM 781 CE2 TYR A 65 -5.064 4.061 -3.795 1.00 0.00 C ATOM 782 CZ TYR A 65 -4.020 3.270 -4.219 1.00 0.00 C ATOM 783 OH TYR A 65 -3.028 3.814 -5.001 1.00 0.00 O ATOM 0 H TYR A 65 -8.137 0.846 0.879 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.971 0.023 -0.891 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.719 0.902 -2.423 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.800 2.381 -1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.928 0.354 -2.819 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.879 4.137 -2.685 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.147 1.321 -4.202 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.101 5.104 -4.071 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.217 4.763 -5.156 1.00 0.00 H new ATOM 793 N TRP A 66 -4.562 1.406 0.543 1.00 0.00 N ATOM 794 CA TRP A 66 -3.671 2.210 1.371 1.00 0.00 C ATOM 795 C TRP A 66 -2.459 2.632 0.563 1.00 0.00 C ATOM 796 O TRP A 66 -1.900 1.843 -0.197 1.00 0.00 O ATOM 797 CB TRP A 66 -3.207 1.453 2.624 1.00 0.00 C ATOM 798 CG TRP A 66 -4.281 1.214 3.643 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.484 1.921 4.793 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.284 0.190 3.620 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.549 1.404 5.483 1.00 0.00 N ATOM 802 CE2 TRP A 66 -6.059 0.342 4.786 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.605 -0.836 2.729 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -7.128 -0.495 5.080 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.670 -1.664 3.024 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.420 -1.488 4.190 1.00 0.00 C ATOM 0 H TRP A 66 -4.131 0.569 0.151 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.232 3.086 1.697 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.793 0.492 2.319 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.398 2.014 3.093 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.891 2.765 5.113 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -5.904 1.754 6.373 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -5.031 -0.979 1.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.708 -0.365 5.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.928 -2.461 2.342 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.248 -2.152 4.391 1.00 0.00 H new ATOM 817 N VAL A 67 -2.071 3.878 0.723 1.00 0.00 N ATOM 818 CA VAL A 67 -0.932 4.425 0.017 1.00 0.00 C ATOM 819 C VAL A 67 0.225 4.669 0.976 1.00 0.00 C ATOM 820 O VAL A 67 0.121 5.481 1.894 1.00 0.00 O ATOM 821 CB VAL A 67 -1.319 5.742 -0.686 1.00 0.00 C ATOM 822 CG1 VAL A 67 -0.094 6.516 -1.131 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.224 5.461 -1.870 1.00 0.00 C ATOM 0 H VAL A 67 -2.535 4.540 1.345 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.616 3.702 -0.735 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.858 6.358 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.405 7.438 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.520 6.756 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.485 5.911 -1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.489 6.400 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.704 4.818 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.130 4.963 -1.525 1.00 0.00 H new ATOM 833 N ILE A 68 1.313 3.946 0.772 1.00 0.00 N ATOM 834 CA ILE A 68 2.502 4.116 1.589 1.00 0.00 C ATOM 835 C ILE A 68 3.470 5.064 0.894 1.00 0.00 C ATOM 836 O ILE A 68 4.104 4.707 -0.100 1.00 0.00 O ATOM 837 CB ILE A 68 3.223 2.778 1.887 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.301 1.790 2.611 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.470 3.024 2.724 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.329 1.065 1.705 1.00 0.00 C ATOM 0 H ILE A 68 1.397 3.234 0.046 1.00 0.00 H new ATOM 0 HA ILE A 68 2.176 4.530 2.543 1.00 0.00 H new ATOM 0 HB ILE A 68 3.508 2.339 0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.914 1.053 3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.737 2.329 3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 68 4.966 2.075 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.150 3.680 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.189 3.494 3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.716 0.387 2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.688 1.791 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.883 0.495 0.959 1.00 0.00 H new ATOM 852 N ASN A 69 3.568 6.277 1.409 1.00 0.00 N ATOM 853 CA ASN A 69 4.438 7.280 0.822 1.00 0.00 C ATOM 854 C ASN A 69 5.847 7.143 1.380 1.00 0.00 C ATOM 855 O ASN A 69 6.147 7.612 2.480 1.00 0.00 O ATOM 856 CB ASN A 69 3.895 8.690 1.089 1.00 0.00 C ATOM 857 CG ASN A 69 4.647 9.773 0.327 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.842 9.650 0.042 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.949 10.846 -0.009 1.00 0.00 N ATOM 0 H ASN A 69 3.055 6.591 2.233 1.00 0.00 H new ATOM 0 HA ASN A 69 4.469 7.123 -0.256 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.841 8.725 0.814 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.952 8.899 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.397 11.606 -0.521 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.963 10.913 0.244 1.00 0.00 H new ATOM 866 N ALA A 70 6.704 6.483 0.621 1.00 0.00 N ATOM 867 CA ALA A 70 8.111 6.382 0.961 1.00 0.00 C ATOM 868 C ALA A 70 8.915 7.365 0.121 1.00 0.00 C ATOM 869 O ALA A 70 10.125 7.497 0.287 1.00 0.00 O ATOM 870 CB ALA A 70 8.607 4.965 0.743 1.00 0.00 C ATOM 0 H ALA A 70 6.446 6.005 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 70 8.241 6.630 2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.664 4.906 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.040 4.280 1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.474 4.690 -0.303 1.00 0.00 H new ATOM 876 N LYS A 71 8.219 8.067 -0.774 1.00 0.00 N ATOM 877 CA LYS A 71 8.852 9.017 -1.678 1.00 0.00 C ATOM 878 C LYS A 71 9.468 10.170 -0.897 1.00 0.00 C ATOM 879 O LYS A 71 10.562 10.633 -1.207 1.00 0.00 O ATOM 880 CB LYS A 71 7.815 9.549 -2.671 1.00 0.00 C ATOM 881 CG LYS A 71 8.383 10.483 -3.730 1.00 0.00 C ATOM 882 CD LYS A 71 9.371 9.774 -4.645 1.00 0.00 C ATOM 883 CE LYS A 71 8.695 8.693 -5.472 1.00 0.00 C ATOM 884 NZ LYS A 71 7.787 9.254 -6.509 1.00 0.00 N ATOM 0 H LYS A 71 7.208 7.991 -0.889 1.00 0.00 H new ATOM 0 HA LYS A 71 9.647 8.509 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.337 8.704 -3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.037 10.076 -2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.568 10.894 -4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.878 11.324 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.839 10.501 -5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.167 9.330 -4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.456 8.079 -5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.127 8.037 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.673 8.565 -7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.859 9.457 -6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.194 10.133 -6.888 1.00 0.00 H new ATOM 898 N GLU A 72 8.762 10.612 0.133 1.00 0.00 N ATOM 899 CA GLU A 72 9.235 11.707 0.964 1.00 0.00 C ATOM 900 C GLU A 72 10.132 11.194 2.085 1.00 0.00 C ATOM 901 O GLU A 72 10.493 11.929 3.003 1.00 0.00 O ATOM 902 CB GLU A 72 8.051 12.473 1.536 1.00 0.00 C ATOM 903 CG GLU A 72 7.158 13.065 0.461 1.00 0.00 C ATOM 904 CD GLU A 72 6.083 13.970 1.017 1.00 0.00 C ATOM 905 OE1 GLU A 72 5.085 13.455 1.554 1.00 0.00 O ATOM 906 OE2 GLU A 72 6.225 15.204 0.913 1.00 0.00 O ATOM 0 H GLU A 72 7.859 10.228 0.413 1.00 0.00 H new ATOM 0 HA GLU A 72 9.827 12.381 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.462 11.805 2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.418 13.274 2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.771 13.628 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.690 12.256 -0.100 1.00 0.00 H new ATOM 913 N GLY A 73 10.479 9.920 2.001 1.00 0.00 N ATOM 914 CA GLY A 73 11.406 9.326 2.946 1.00 0.00 C ATOM 915 C GLY A 73 10.775 9.040 4.288 1.00 0.00 C ATOM 916 O GLY A 73 11.466 8.967 5.303 1.00 0.00 O ATOM 0 H GLY A 73 10.132 9.279 1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.797 8.398 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.255 9.996 3.085 1.00 0.00 H new ATOM 920 N LYS A 74 9.462 8.898 4.299 1.00 0.00 N ATOM 921 CA LYS A 74 8.745 8.586 5.525 1.00 0.00 C ATOM 922 C LYS A 74 8.397 7.107 5.599 1.00 0.00 C ATOM 923 O LYS A 74 8.912 6.382 6.451 1.00 0.00 O ATOM 924 CB LYS A 74 7.473 9.427 5.626 1.00 0.00 C ATOM 925 CG LYS A 74 7.739 10.920 5.735 1.00 0.00 C ATOM 926 CD LYS A 74 8.611 11.253 6.939 1.00 0.00 C ATOM 927 CE LYS A 74 7.945 10.868 8.253 1.00 0.00 C ATOM 928 NZ LYS A 74 8.856 11.055 9.413 1.00 0.00 N ATOM 0 H LYS A 74 8.870 8.993 3.474 1.00 0.00 H new ATOM 0 HA LYS A 74 9.399 8.825 6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.853 9.240 4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.901 9.104 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.227 11.270 4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.792 11.453 5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.565 10.733 6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.830 12.321 6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.048 11.471 8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.626 9.827 8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.424 10.642 10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.763 10.584 9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.019 12.071 9.566 1.00 0.00 H new ATOM 942 N GLY A 75 7.531 6.657 4.705 1.00 0.00 N ATOM 943 CA GLY A 75 7.047 5.296 4.785 1.00 0.00 C ATOM 944 C GLY A 75 5.726 5.224 5.520 1.00 0.00 C ATOM 945 O GLY A 75 5.455 4.263 6.238 1.00 0.00 O ATOM 0 H GLY A 75 7.157 7.205 3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.929 4.890 3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.784 4.675 5.295 1.00 0.00 H new ATOM 949 N LYS A 76 4.904 6.253 5.345 1.00 0.00 N ATOM 950 CA LYS A 76 3.623 6.331 6.034 1.00 0.00 C ATOM 951 C LYS A 76 2.520 5.827 5.122 1.00 0.00 C ATOM 952 O LYS A 76 2.568 6.025 3.910 1.00 0.00 O ATOM 953 CB LYS A 76 3.303 7.775 6.446 1.00 0.00 C ATOM 954 CG LYS A 76 3.059 8.698 5.258 1.00 0.00 C ATOM 955 CD LYS A 76 2.603 10.100 5.657 1.00 0.00 C ATOM 956 CE LYS A 76 1.242 10.115 6.347 1.00 0.00 C ATOM 957 NZ LYS A 76 1.326 9.851 7.809 1.00 0.00 N ATOM 0 H LYS A 76 5.103 7.044 4.732 1.00 0.00 H new ATOM 0 HA LYS A 76 3.685 5.714 6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.421 7.776 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.128 8.168 7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.976 8.776 4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.306 8.251 4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.345 10.541 6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.559 10.728 4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.770 11.084 6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.599 9.366 5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.762 9.009 8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.318 9.688 8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.957 10.671 8.332 1.00 0.00 H new ATOM 971 N VAL A 77 1.530 5.184 5.706 1.00 0.00 N ATOM 972 CA VAL A 77 0.431 4.642 4.939 1.00 0.00 C ATOM 973 C VAL A 77 -0.817 5.482 5.185 1.00 0.00 C ATOM 974 O VAL A 77 -1.159 5.801 6.328 1.00 0.00 O ATOM 975 CB VAL A 77 0.187 3.142 5.275 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.388 2.549 6.000 1.00 0.00 C ATOM 977 CG2 VAL A 77 -1.087 2.922 6.075 1.00 0.00 C ATOM 0 H VAL A 77 1.465 5.025 6.711 1.00 0.00 H new ATOM 0 HA VAL A 77 0.682 4.686 3.879 1.00 0.00 H new ATOM 0 HB VAL A 77 0.057 2.623 4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.196 1.500 6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.271 2.628 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.558 3.094 6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.208 1.859 6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.025 3.470 7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.943 3.280 5.502 1.00 0.00 H new ATOM 987 N THR A 78 -1.450 5.893 4.109 1.00 0.00 N ATOM 988 CA THR A 78 -2.646 6.700 4.190 1.00 0.00 C ATOM 989 C THR A 78 -3.703 6.156 3.238 1.00 0.00 C ATOM 990 O THR A 78 -3.407 5.810 2.092 1.00 0.00 O ATOM 991 CB THR A 78 -2.336 8.189 3.888 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.545 8.946 3.747 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.476 8.337 2.640 1.00 0.00 C ATOM 0 H THR A 78 -1.152 5.678 3.158 1.00 0.00 H new ATOM 0 HA THR A 78 -3.033 6.648 5.207 1.00 0.00 H new ATOM 0 HB THR A 78 -1.775 8.582 4.736 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.325 9.882 3.559 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.278 9.393 2.458 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.533 7.810 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.001 7.913 1.784 1.00 0.00 H new ATOM 1001 N TYR A 79 -4.922 6.043 3.740 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.032 5.490 2.977 1.00 0.00 C ATOM 1003 C TYR A 79 -6.307 6.350 1.749 1.00 0.00 C ATOM 1004 O TYR A 79 -6.525 7.556 1.872 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.276 5.406 3.867 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.420 4.618 3.268 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -8.454 3.231 3.358 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -9.472 5.259 2.626 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -9.501 2.507 2.824 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -10.522 4.541 2.089 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.533 3.166 2.192 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.580 2.448 1.661 1.00 0.00 O ATOM 0 H TYR A 79 -5.171 6.331 4.686 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.772 4.487 2.639 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.997 4.953 4.818 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.621 6.417 4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.648 2.711 3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.469 6.336 2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.511 1.430 2.901 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.331 5.054 1.590 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.224 3.063 1.252 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.262 5.721 0.572 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.443 6.402 -0.720 1.00 0.00 C ATOM 1024 C ASN A 80 -5.201 7.206 -1.114 1.00 0.00 C ATOM 1025 O ASN A 80 -4.802 7.215 -2.278 1.00 0.00 O ATOM 1026 CB ASN A 80 -7.699 7.289 -0.722 1.00 0.00 C ATOM 1027 CG ASN A 80 -7.829 8.125 -1.982 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -8.314 7.650 -3.009 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -7.422 9.384 -1.904 1.00 0.00 N ATOM 0 H ASN A 80 -6.098 4.718 0.484 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.585 5.626 -1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.583 6.659 -0.617 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.673 7.949 0.145 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.505 9.998 -2.714 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.025 9.739 -1.034 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.601 7.871 -0.135 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.351 8.591 -0.324 1.00 0.00 C ATOM 1038 C GLY A 81 -3.471 9.870 -1.130 1.00 0.00 C ATOM 1039 O GLY A 81 -2.887 10.890 -0.763 1.00 0.00 O ATOM 0 H GLY A 81 -4.970 7.926 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.935 8.832 0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.639 7.931 -0.819 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.236 9.831 -2.210 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.317 10.971 -3.103 1.00 0.00 C ATOM 1045 C GLY A 82 -3.037 11.140 -3.900 1.00 0.00 C ATOM 1046 O GLY A 82 -2.753 12.217 -4.424 1.00 0.00 O ATOM 0 H GLY A 82 -4.804 9.030 -2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.158 10.843 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.510 11.875 -2.525 1.00 0.00 H new ATOM 1050 N GLU A 83 -2.267 10.061 -3.979 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.978 10.063 -4.657 1.00 0.00 C ATOM 1052 C GLU A 83 -0.942 8.963 -5.707 1.00 0.00 C ATOM 1053 O GLU A 83 -1.709 8.002 -5.629 1.00 0.00 O ATOM 1054 CB GLU A 83 0.152 9.819 -3.650 1.00 0.00 C ATOM 1055 CG GLU A 83 0.241 10.854 -2.539 1.00 0.00 C ATOM 1056 CD GLU A 83 0.600 12.234 -3.049 1.00 0.00 C ATOM 1057 OE1 GLU A 83 1.324 12.333 -4.061 1.00 0.00 O ATOM 1058 OE2 GLU A 83 0.174 13.231 -2.431 1.00 0.00 O ATOM 0 H GLU A 83 -2.520 9.160 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.841 11.034 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.016 8.835 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.101 9.797 -4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.714 10.902 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.987 10.535 -1.811 1.00 0.00 H new ATOM 1065 N LYS A 84 -0.054 9.097 -6.678 1.00 0.00 N ATOM 1066 CA LYS A 84 0.146 8.062 -7.675 1.00 0.00 C ATOM 1067 C LYS A 84 1.343 7.201 -7.306 1.00 0.00 C ATOM 1068 O LYS A 84 2.489 7.646 -7.378 1.00 0.00 O ATOM 1069 CB LYS A 84 0.328 8.667 -9.058 1.00 0.00 C ATOM 1070 CG LYS A 84 -0.968 9.165 -9.655 1.00 0.00 C ATOM 1071 CD LYS A 84 -0.783 9.585 -11.096 1.00 0.00 C ATOM 1072 CE LYS A 84 -2.106 9.902 -11.742 1.00 0.00 C ATOM 1073 NZ LYS A 84 -1.965 10.187 -13.192 1.00 0.00 N ATOM 0 H LYS A 84 0.542 9.917 -6.796 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.743 7.432 -7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.036 9.494 -8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.765 7.921 -9.721 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.723 8.381 -9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.339 10.009 -9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.133 10.459 -11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.286 8.788 -11.649 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.787 9.063 -11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.554 10.763 -11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.899 10.400 -13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.335 11.004 -13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.561 9.357 -13.671 1.00 0.00 H new ATOM 1087 N PRO A 85 1.084 5.955 -6.894 1.00 0.00 N ATOM 1088 CA PRO A 85 2.126 5.029 -6.454 1.00 0.00 C ATOM 1089 C PRO A 85 3.072 4.626 -7.575 1.00 0.00 C ATOM 1090 O PRO A 85 2.642 4.266 -8.675 1.00 0.00 O ATOM 1091 CB PRO A 85 1.345 3.803 -5.964 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.060 4.264 -5.804 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.253 5.354 -6.811 1.00 0.00 C ATOM 0 HA PRO A 85 2.761 5.485 -5.694 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.410 2.984 -6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.747 3.433 -5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.761 3.447 -5.974 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.238 4.631 -4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.582 4.963 -7.774 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.003 6.076 -6.488 1.00 0.00 H new ATOM 1101 N ASP A 86 4.366 4.694 -7.280 1.00 0.00 N ATOM 1102 CA ASP A 86 5.399 4.225 -8.193 1.00 0.00 C ATOM 1103 C ASP A 86 5.222 2.736 -8.448 1.00 0.00 C ATOM 1104 O ASP A 86 5.519 2.238 -9.533 1.00 0.00 O ATOM 1105 CB ASP A 86 6.792 4.485 -7.611 1.00 0.00 C ATOM 1106 CG ASP A 86 7.071 5.957 -7.385 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.664 6.487 -6.331 1.00 0.00 O ATOM 1108 OD2 ASP A 86 7.698 6.593 -8.260 1.00 0.00 O ATOM 0 H ASP A 86 4.726 5.074 -6.405 1.00 0.00 H new ATOM 0 HA ASP A 86 5.305 4.770 -9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.890 3.952 -6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.544 4.077 -8.286 1.00 0.00 H new ATOM 1113 N VAL A 87 4.737 2.035 -7.427 1.00 0.00 N ATOM 1114 CA VAL A 87 4.391 0.626 -7.544 1.00 0.00 C ATOM 1115 C VAL A 87 3.101 0.321 -6.793 1.00 0.00 C ATOM 1116 O VAL A 87 2.923 0.732 -5.646 1.00 0.00 O ATOM 1117 CB VAL A 87 5.509 -0.311 -7.029 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.644 -0.409 -8.026 1.00 0.00 C ATOM 1119 CG2 VAL A 87 6.032 0.140 -5.677 1.00 0.00 C ATOM 0 H VAL A 87 4.574 2.428 -6.500 1.00 0.00 H new ATOM 0 HA VAL A 87 4.257 0.436 -8.609 1.00 0.00 H new ATOM 0 HB VAL A 87 5.070 -1.301 -6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.414 -1.074 -7.636 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.267 -0.804 -8.969 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.069 0.581 -8.192 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.816 -0.540 -5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.438 1.148 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.218 0.137 -4.952 1.00 0.00 H new ATOM 1129 N THR A 88 2.198 -0.376 -7.457 1.00 0.00 N ATOM 1130 CA THR A 88 0.946 -0.786 -6.849 1.00 0.00 C ATOM 1131 C THR A 88 0.893 -2.305 -6.732 1.00 0.00 C ATOM 1132 O THR A 88 1.224 -3.013 -7.683 1.00 0.00 O ATOM 1133 CB THR A 88 -0.255 -0.288 -7.678 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.143 1.125 -7.888 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.574 -0.598 -6.981 1.00 0.00 C ATOM 0 H THR A 88 2.310 -0.672 -8.427 1.00 0.00 H new ATOM 0 HA THR A 88 0.890 -0.344 -5.854 1.00 0.00 H new ATOM 0 HB THR A 88 -0.245 -0.807 -8.636 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.906 1.439 -8.416 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.402 -0.235 -7.590 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.669 -1.675 -6.845 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.596 -0.106 -6.009 1.00 0.00 H new ATOM 1143 N PHE A 89 0.500 -2.795 -5.566 1.00 0.00 N ATOM 1144 CA PHE A 89 0.391 -4.228 -5.327 1.00 0.00 C ATOM 1145 C PHE A 89 -1.043 -4.584 -4.963 1.00 0.00 C ATOM 1146 O PHE A 89 -1.638 -3.957 -4.089 1.00 0.00 O ATOM 1147 CB PHE A 89 1.321 -4.669 -4.191 1.00 0.00 C ATOM 1148 CG PHE A 89 2.767 -4.320 -4.399 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.270 -3.105 -3.960 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.625 -5.208 -5.028 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.599 -2.784 -4.144 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.956 -4.892 -5.213 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.443 -3.678 -4.773 1.00 0.00 C ATOM 0 H PHE A 89 0.249 -2.217 -4.764 1.00 0.00 H new ATOM 0 HA PHE A 89 0.683 -4.745 -6.241 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.980 -4.213 -3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.235 -5.748 -4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.614 -2.402 -3.468 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.248 -6.158 -5.377 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.979 -1.835 -3.797 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.615 -5.594 -5.702 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.483 -3.427 -4.920 1.00 0.00 H new ATOM 1163 N THR A 90 -1.604 -5.569 -5.643 1.00 0.00 N ATOM 1164 CA THR A 90 -2.931 -6.053 -5.305 1.00 0.00 C ATOM 1165 C THR A 90 -2.824 -7.367 -4.540 1.00 0.00 C ATOM 1166 O THR A 90 -2.276 -8.349 -5.046 1.00 0.00 O ATOM 1167 CB THR A 90 -3.793 -6.247 -6.559 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.516 -5.197 -7.497 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.271 -6.232 -6.205 1.00 0.00 C ATOM 0 H THR A 90 -1.164 -6.047 -6.429 1.00 0.00 H new ATOM 0 HA THR A 90 -3.414 -5.303 -4.678 1.00 0.00 H new ATOM 0 HB THR A 90 -3.551 -7.214 -7.001 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.065 -5.322 -8.299 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.863 -6.371 -7.109 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.485 -7.038 -5.503 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.526 -5.276 -5.748 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.331 -7.362 -3.318 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.191 -8.475 -2.392 1.00 0.00 C ATOM 1179 C ILE A 91 -4.475 -8.619 -1.589 1.00 0.00 C ATOM 1180 O ILE A 91 -5.192 -7.648 -1.379 1.00 0.00 O ATOM 1181 CB ILE A 91 -2.022 -8.199 -1.418 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -0.700 -8.067 -2.172 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -1.923 -9.289 -0.370 1.00 0.00 C ATOM 1184 CD1 ILE A 91 0.385 -7.384 -1.372 1.00 0.00 C ATOM 0 H ILE A 91 -3.857 -6.576 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.993 -9.388 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.226 -7.254 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.356 -9.060 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.870 -7.507 -3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.093 -9.072 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.851 -9.331 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.753 -10.249 -0.858 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.295 -7.325 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.061 -6.378 -1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.583 -7.955 -0.465 1.00 0.00 H new ATOM 1196 N SER A 92 -4.762 -9.827 -1.159 1.00 0.00 N ATOM 1197 CA SER A 92 -5.909 -10.093 -0.322 1.00 0.00 C ATOM 1198 C SER A 92 -5.583 -9.838 1.145 1.00 0.00 C ATOM 1199 O SER A 92 -4.457 -10.056 1.599 1.00 0.00 O ATOM 1200 CB SER A 92 -6.321 -11.539 -0.528 1.00 0.00 C ATOM 1201 OG SER A 92 -5.188 -12.296 -0.910 1.00 0.00 O ATOM 0 H SER A 92 -4.206 -10.653 -1.380 1.00 0.00 H new ATOM 0 HA SER A 92 -6.726 -9.426 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.750 -11.942 0.390 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.092 -11.604 -1.295 1.00 0.00 H new ATOM 0 HG SER A 92 -5.200 -13.159 -0.446 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.598 -9.380 1.867 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.517 -9.086 3.298 1.00 0.00 C ATOM 1209 C ASP A 93 -5.982 -10.277 4.089 1.00 0.00 C ATOM 1210 O ASP A 93 -5.391 -10.120 5.156 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.918 -8.707 3.790 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.985 -8.404 5.272 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.549 -7.311 5.683 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.509 -9.250 6.028 1.00 0.00 O ATOM 0 H ASP A 93 -7.520 -9.198 1.470 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.821 -8.261 3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.264 -7.835 3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.605 -9.523 3.564 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.185 -11.467 3.542 1.00 0.00 N ATOM 1220 CA GLU A 94 -5.765 -12.700 4.192 1.00 0.00 C ATOM 1221 C GLU A 94 -4.278 -12.959 3.967 1.00 0.00 C ATOM 1222 O GLU A 94 -3.581 -13.447 4.853 1.00 0.00 O ATOM 1223 CB GLU A 94 -6.562 -13.879 3.633 1.00 0.00 C ATOM 1224 CG GLU A 94 -7.966 -13.518 3.176 1.00 0.00 C ATOM 1225 CD GLU A 94 -8.742 -14.727 2.704 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -8.460 -15.222 1.592 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -9.624 -15.201 3.450 1.00 0.00 O ATOM 0 H GLU A 94 -6.643 -11.605 2.641 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.948 -12.595 5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.016 -14.306 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.628 -14.654 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.502 -13.042 3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.907 -12.788 2.368 1.00 0.00 H new ATOM 1234 N ASP A 95 -3.799 -12.631 2.774 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.432 -12.961 2.375 1.00 0.00 C ATOM 1236 C ASP A 95 -1.457 -11.878 2.797 1.00 0.00 C ATOM 1237 O ASP A 95 -0.260 -12.132 2.950 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.346 -13.168 0.861 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.088 -14.404 0.400 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -4.337 -14.386 0.392 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -2.429 -15.397 0.036 1.00 0.00 O ATOM 0 H ASP A 95 -4.336 -12.136 2.063 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.160 -13.888 2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.754 -12.293 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.299 -13.246 0.568 1.00 0.00 H new ATOM 1246 N VAL A 96 -1.971 -10.670 2.997 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.139 -9.542 3.387 1.00 0.00 C ATOM 1248 C VAL A 96 -0.372 -9.859 4.668 1.00 0.00 C ATOM 1249 O VAL A 96 0.777 -9.464 4.830 1.00 0.00 O ATOM 1250 CB VAL A 96 -1.982 -8.253 3.581 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -2.067 -7.846 5.048 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.430 -7.108 2.746 1.00 0.00 C ATOM 0 H VAL A 96 -2.961 -10.448 2.895 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.429 -9.365 2.579 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.992 -8.478 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.665 -6.940 5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.532 -8.648 5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.064 -7.659 5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.040 -6.218 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.403 -6.901 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.452 -7.383 1.692 1.00 0.00 H new ATOM 1262 N VAL A 97 -1.003 -10.618 5.553 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.448 -10.861 6.873 1.00 0.00 C ATOM 1264 C VAL A 97 0.784 -11.744 6.795 1.00 0.00 C ATOM 1265 O VAL A 97 1.692 -11.628 7.613 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.492 -11.494 7.814 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -2.771 -10.684 7.772 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -1.771 -12.946 7.452 1.00 0.00 C ATOM 0 H VAL A 97 -1.898 -11.075 5.379 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.158 -9.894 7.283 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.087 -11.484 8.826 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.508 -11.133 8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.566 -9.663 8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.161 -10.672 6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.512 -13.356 8.138 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.152 -13.000 6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.849 -13.523 7.526 1.00 0.00 H new ATOM 1278 N ASP A 98 0.827 -12.608 5.794 1.00 0.00 N ATOM 1279 CA ASP A 98 1.975 -13.458 5.595 1.00 0.00 C ATOM 1280 C ASP A 98 3.037 -12.685 4.840 1.00 0.00 C ATOM 1281 O ASP A 98 4.227 -12.856 5.072 1.00 0.00 O ATOM 1282 CB ASP A 98 1.604 -14.732 4.828 1.00 0.00 C ATOM 1283 CG ASP A 98 0.552 -15.568 5.532 1.00 0.00 C ATOM 1284 OD1 ASP A 98 0.862 -16.143 6.596 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -0.578 -15.679 5.012 1.00 0.00 O ATOM 0 H ASP A 98 0.079 -12.734 5.112 1.00 0.00 H new ATOM 0 HA ASP A 98 2.357 -13.762 6.570 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.239 -14.459 3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.500 -15.335 4.682 1.00 0.00 H new ATOM 1290 N LEU A 99 2.592 -11.804 3.956 1.00 0.00 N ATOM 1291 CA LEU A 99 3.506 -10.996 3.156 1.00 0.00 C ATOM 1292 C LEU A 99 4.246 -9.990 4.029 1.00 0.00 C ATOM 1293 O LEU A 99 5.464 -9.840 3.931 1.00 0.00 O ATOM 1294 CB LEU A 99 2.741 -10.271 2.044 1.00 0.00 C ATOM 1295 CG LEU A 99 2.240 -11.169 0.912 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.307 -10.402 -0.004 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.407 -11.722 0.112 1.00 0.00 C ATOM 0 H LEU A 99 1.604 -11.629 3.773 1.00 0.00 H new ATOM 0 HA LEU A 99 4.241 -11.661 2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.887 -9.759 2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.388 -9.504 1.619 1.00 0.00 H new ATOM 0 HG LEU A 99 1.693 -12.000 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.961 -11.058 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.451 -10.043 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.837 -9.553 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.030 -12.358 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.977 -10.898 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.052 -12.307 0.767 1.00 0.00 H new ATOM 1309 N ILE A 100 3.507 -9.325 4.904 1.00 0.00 N ATOM 1310 CA ILE A 100 4.072 -8.294 5.763 1.00 0.00 C ATOM 1311 C ILE A 100 4.855 -8.913 6.926 1.00 0.00 C ATOM 1312 O ILE A 100 5.703 -8.263 7.534 1.00 0.00 O ATOM 1313 CB ILE A 100 2.960 -7.359 6.298 1.00 0.00 C ATOM 1314 CG1 ILE A 100 2.120 -6.832 5.125 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.556 -6.210 7.101 1.00 0.00 C ATOM 1316 CD1 ILE A 100 1.081 -5.806 5.515 1.00 0.00 C ATOM 0 H ILE A 100 2.508 -9.482 5.039 1.00 0.00 H new ATOM 0 HA ILE A 100 4.765 -7.703 5.164 1.00 0.00 H new ATOM 0 HB ILE A 100 2.313 -7.926 6.967 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.788 -6.392 4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.620 -7.673 4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.755 -5.567 7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.115 -6.609 7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.225 -5.630 6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.533 -5.487 4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.387 -6.245 6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.572 -4.944 5.967 1.00 0.00 H new ATOM 1328 N SER A 101 4.587 -10.180 7.217 1.00 0.00 N ATOM 1329 CA SER A 101 5.280 -10.869 8.301 1.00 0.00 C ATOM 1330 C SER A 101 6.489 -11.645 7.772 1.00 0.00 C ATOM 1331 O SER A 101 7.211 -12.285 8.538 1.00 0.00 O ATOM 1332 CB SER A 101 4.314 -11.812 9.028 1.00 0.00 C ATOM 1333 OG SER A 101 4.923 -12.420 10.153 1.00 0.00 O ATOM 0 H SER A 101 3.900 -10.749 6.722 1.00 0.00 H new ATOM 0 HA SER A 101 5.642 -10.122 9.007 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.433 -11.255 9.348 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.971 -12.583 8.339 1.00 0.00 H new ATOM 0 HG SER A 101 5.894 -12.452 10.022 1.00 0.00 H new ATOM 1339 N GLY A 102 6.697 -11.596 6.459 1.00 0.00 N ATOM 1340 CA GLY A 102 7.838 -12.271 5.858 1.00 0.00 C ATOM 1341 C GLY A 102 7.628 -13.768 5.752 1.00 0.00 C ATOM 1342 O GLY A 102 8.581 -14.538 5.620 1.00 0.00 O ATOM 0 H GLY A 102 6.097 -11.101 5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.019 -11.860 4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.730 -12.072 6.452 1.00 0.00 H new ATOM 1346 N LYS A 103 6.372 -14.172 5.803 1.00 0.00 N ATOM 1347 CA LYS A 103 5.998 -15.577 5.765 1.00 0.00 C ATOM 1348 C LYS A 103 5.668 -16.014 4.347 1.00 0.00 C ATOM 1349 O LYS A 103 6.064 -17.094 3.906 1.00 0.00 O ATOM 1350 CB LYS A 103 4.774 -15.793 6.649 1.00 0.00 C ATOM 1351 CG LYS A 103 5.063 -15.695 8.137 1.00 0.00 C ATOM 1352 CD LYS A 103 3.789 -15.791 8.957 1.00 0.00 C ATOM 1353 CE LYS A 103 4.065 -15.634 10.444 1.00 0.00 C ATOM 1354 NZ LYS A 103 4.936 -16.718 10.970 1.00 0.00 N ATOM 0 H LYS A 103 5.579 -13.534 5.872 1.00 0.00 H new ATOM 0 HA LYS A 103 6.839 -16.169 6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.015 -15.056 6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.352 -16.775 6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.747 -16.492 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.564 -14.751 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.089 -15.021 8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.311 -16.753 8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 103 4.539 -14.669 10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.121 -15.632 10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.960 -16.670 12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 4.558 -17.641 10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.899 -16.602 10.595 1.00 0.00 H new ATOM 1368 N LEU A 104 4.947 -15.164 3.639 1.00 0.00 N ATOM 1369 CA LEU A 104 4.554 -15.450 2.275 1.00 0.00 C ATOM 1370 C LEU A 104 5.448 -14.697 1.305 1.00 0.00 C ATOM 1371 O LEU A 104 5.604 -13.482 1.404 1.00 0.00 O ATOM 1372 CB LEU A 104 3.081 -15.085 2.080 1.00 0.00 C ATOM 1373 CG LEU A 104 2.530 -15.185 0.656 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.722 -16.579 0.089 1.00 0.00 C ATOM 1375 CD2 LEU A 104 1.056 -14.812 0.632 1.00 0.00 C ATOM 0 H LEU A 104 4.621 -14.264 3.991 1.00 0.00 H new ATOM 0 HA LEU A 104 4.671 -16.515 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.483 -15.731 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.935 -14.063 2.430 1.00 0.00 H new ATOM 0 HG LEU A 104 3.086 -14.485 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.321 -16.618 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.785 -16.820 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.199 -17.302 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.678 -14.888 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.498 -15.491 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.934 -13.789 0.989 1.00 0.00 H new ATOM 1387 N ASN A 105 6.062 -15.437 0.397 1.00 0.00 N ATOM 1388 CA ASN A 105 6.912 -14.847 -0.625 1.00 0.00 C ATOM 1389 C ASN A 105 6.071 -14.131 -1.669 1.00 0.00 C ATOM 1390 O ASN A 105 5.194 -14.735 -2.289 1.00 0.00 O ATOM 1391 CB ASN A 105 7.770 -15.923 -1.302 1.00 0.00 C ATOM 1392 CG ASN A 105 9.060 -16.196 -0.556 1.00 0.00 C ATOM 1393 OD1 ASN A 105 9.135 -16.043 0.663 1.00 0.00 O ATOM 1394 ND2 ASN A 105 10.090 -16.599 -1.285 1.00 0.00 N ATOM 0 H ASN A 105 5.987 -16.453 0.347 1.00 0.00 H new ATOM 0 HA ASN A 105 7.569 -14.124 -0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.196 -16.846 -1.377 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.003 -15.609 -2.320 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.986 -16.795 -0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.987 -16.714 -2.293 1.00 0.00 H new ATOM 1401 N PRO A 106 6.332 -12.830 -1.892 1.00 0.00 N ATOM 1402 CA PRO A 106 5.636 -12.067 -2.920 1.00 0.00 C ATOM 1403 C PRO A 106 5.986 -12.604 -4.295 1.00 0.00 C ATOM 1404 O PRO A 106 5.255 -12.412 -5.262 1.00 0.00 O ATOM 1405 CB PRO A 106 6.127 -10.625 -2.755 1.00 0.00 C ATOM 1406 CG PRO A 106 6.999 -10.603 -1.540 1.00 0.00 C ATOM 1407 CD PRO A 106 7.332 -12.026 -1.176 1.00 0.00 C ATOM 0 HA PRO A 106 4.552 -12.134 -2.822 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.682 -10.302 -3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.286 -9.941 -2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.910 -10.037 -1.736 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.488 -10.109 -0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.345 -12.288 -1.482 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.273 -12.185 -0.099 1.00 0.00 H new ATOM 1415 N GLN A 107 7.119 -13.293 -4.350 1.00 0.00 N ATOM 1416 CA GLN A 107 7.536 -14.022 -5.527 1.00 0.00 C ATOM 1417 C GLN A 107 6.502 -15.074 -5.906 1.00 0.00 C ATOM 1418 O GLN A 107 5.920 -15.026 -6.992 1.00 0.00 O ATOM 1419 CB GLN A 107 8.861 -14.709 -5.248 1.00 0.00 C ATOM 1420 CG GLN A 107 10.029 -13.757 -5.066 1.00 0.00 C ATOM 1421 CD GLN A 107 11.319 -14.482 -4.739 1.00 0.00 C ATOM 1422 OE1 GLN A 107 11.307 -15.554 -4.134 1.00 0.00 O ATOM 1423 NE2 GLN A 107 12.441 -13.898 -5.127 1.00 0.00 N ATOM 0 H GLN A 107 7.774 -13.358 -3.571 1.00 0.00 H new ATOM 0 HA GLN A 107 7.640 -13.318 -6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.760 -15.318 -4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.085 -15.389 -6.070 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.164 -13.173 -5.977 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.799 -13.052 -4.267 1.00 0.00 H new ATOM 0 HE21 GLN A 107 12.407 -13.009 -5.626 1.00 0.00 H new ATOM 0 HE22 GLN A 107 13.340 -14.337 -4.927 1.00 0.00 H new ATOM 1432 N LYS A 108 6.275 -16.020 -4.999 1.00 0.00 N ATOM 1433 CA LYS A 108 5.346 -17.107 -5.258 1.00 0.00 C ATOM 1434 C LYS A 108 3.933 -16.567 -5.375 1.00 0.00 C ATOM 1435 O LYS A 108 3.132 -17.071 -6.155 1.00 0.00 O ATOM 1436 CB LYS A 108 5.417 -18.179 -4.159 1.00 0.00 C ATOM 1437 CG LYS A 108 4.771 -17.779 -2.841 1.00 0.00 C ATOM 1438 CD LYS A 108 3.772 -18.820 -2.358 1.00 0.00 C ATOM 1439 CE LYS A 108 2.430 -18.692 -3.069 1.00 0.00 C ATOM 1440 NZ LYS A 108 1.469 -19.737 -2.627 1.00 0.00 N ATOM 0 H LYS A 108 6.721 -16.053 -4.083 1.00 0.00 H new ATOM 0 HA LYS A 108 5.630 -17.576 -6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 108 4.936 -19.087 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.463 -18.424 -3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.544 -17.640 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.267 -16.820 -2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.178 -19.818 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.625 -18.711 -1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.009 -17.706 -2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.580 -18.769 -4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.568 -19.617 -3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.860 -20.678 -2.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.306 -19.648 -1.604 1.00 0.00 H new ATOM 1454 N ALA A 109 3.636 -15.526 -4.611 1.00 0.00 N ATOM 1455 CA ALA A 109 2.308 -14.932 -4.639 1.00 0.00 C ATOM 1456 C ALA A 109 2.064 -14.241 -5.972 1.00 0.00 C ATOM 1457 O ALA A 109 0.934 -14.181 -6.450 1.00 0.00 O ATOM 1458 CB ALA A 109 2.121 -13.962 -3.490 1.00 0.00 C ATOM 0 H ALA A 109 4.290 -15.078 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 109 1.576 -15.731 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.120 -13.533 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.247 -14.489 -2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.861 -13.165 -3.563 1.00 0.00 H new ATOM 1464 N PHE A 110 3.131 -13.719 -6.569 1.00 0.00 N ATOM 1465 CA PHE A 110 3.044 -13.133 -7.896 1.00 0.00 C ATOM 1466 C PHE A 110 2.710 -14.225 -8.905 1.00 0.00 C ATOM 1467 O PHE A 110 1.792 -14.087 -9.714 1.00 0.00 O ATOM 1468 CB PHE A 110 4.371 -12.454 -8.281 1.00 0.00 C ATOM 1469 CG PHE A 110 4.337 -11.724 -9.603 1.00 0.00 C ATOM 1470 CD1 PHE A 110 4.464 -12.412 -10.801 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.184 -10.347 -9.645 1.00 0.00 C ATOM 1472 CE1 PHE A 110 4.434 -11.742 -12.009 1.00 0.00 C ATOM 1473 CE2 PHE A 110 4.154 -9.672 -10.851 1.00 0.00 C ATOM 1474 CZ PHE A 110 4.279 -10.371 -12.033 1.00 0.00 C ATOM 0 H PHE A 110 4.062 -13.691 -6.154 1.00 0.00 H new ATOM 0 HA PHE A 110 2.260 -12.376 -7.897 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.645 -11.748 -7.497 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.155 -13.210 -8.317 1.00 0.00 H new ATOM 0 HD1 PHE A 110 4.588 -13.485 -10.789 1.00 0.00 H new ATOM 0 HD2 PHE A 110 4.087 -9.794 -8.723 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.532 -12.291 -12.934 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.033 -8.599 -10.867 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.256 -9.846 -12.977 1.00 0.00 H new ATOM 1484 N PHE A 111 3.461 -15.317 -8.825 1.00 0.00 N ATOM 1485 CA PHE A 111 3.304 -16.445 -9.736 1.00 0.00 C ATOM 1486 C PHE A 111 1.922 -17.080 -9.594 1.00 0.00 C ATOM 1487 O PHE A 111 1.263 -17.382 -10.588 1.00 0.00 O ATOM 1488 CB PHE A 111 4.391 -17.490 -9.464 1.00 0.00 C ATOM 1489 CG PHE A 111 4.329 -18.682 -10.376 1.00 0.00 C ATOM 1490 CD1 PHE A 111 4.680 -18.569 -11.711 1.00 0.00 C ATOM 1491 CD2 PHE A 111 3.926 -19.918 -9.895 1.00 0.00 C ATOM 1492 CE1 PHE A 111 4.628 -19.665 -12.550 1.00 0.00 C ATOM 1493 CE2 PHE A 111 3.871 -21.017 -10.730 1.00 0.00 C ATOM 1494 CZ PHE A 111 4.223 -20.891 -12.059 1.00 0.00 C ATOM 0 H PHE A 111 4.195 -15.446 -8.128 1.00 0.00 H new ATOM 0 HA PHE A 111 3.404 -16.075 -10.757 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.368 -17.018 -9.564 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.305 -17.829 -8.432 1.00 0.00 H new ATOM 0 HD1 PHE A 111 4.998 -17.613 -12.100 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.652 -20.023 -8.856 1.00 0.00 H new ATOM 0 HE1 PHE A 111 4.904 -19.564 -13.589 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.553 -21.974 -10.344 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.182 -21.749 -12.713 1.00 0.00 H new ATOM 1504 N GLN A 112 1.483 -17.254 -8.355 1.00 0.00 N ATOM 1505 CA GLN A 112 0.209 -17.896 -8.068 1.00 0.00 C ATOM 1506 C GLN A 112 -0.975 -16.952 -8.314 1.00 0.00 C ATOM 1507 O GLN A 112 -2.106 -17.252 -7.934 1.00 0.00 O ATOM 1508 CB GLN A 112 0.206 -18.402 -6.625 1.00 0.00 C ATOM 1509 CG GLN A 112 1.219 -19.508 -6.362 1.00 0.00 C ATOM 1510 CD GLN A 112 0.946 -20.768 -7.163 1.00 0.00 C ATOM 1511 OE1 GLN A 112 -0.198 -21.084 -7.480 1.00 0.00 O ATOM 1512 NE2 GLN A 112 2.000 -21.499 -7.494 1.00 0.00 N ATOM 0 H GLN A 112 1.997 -16.956 -7.526 1.00 0.00 H new ATOM 0 HA GLN A 112 0.091 -18.739 -8.749 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.412 -17.566 -5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.791 -18.769 -6.380 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.218 -19.142 -6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.214 -19.752 -5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.935 -21.203 -7.212 1.00 0.00 H new ATOM 0 HE22 GLN A 112 1.877 -22.358 -8.031 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.703 -15.797 -8.918 1.00 0.00 N ATOM 1522 CA GLY A 113 -1.769 -14.921 -9.375 1.00 0.00 C ATOM 1523 C GLY A 113 -2.197 -13.896 -8.346 1.00 0.00 C ATOM 1524 O GLY A 113 -2.803 -12.879 -8.692 1.00 0.00 O ATOM 0 H GLY A 113 0.240 -15.452 -9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.441 -14.403 -10.276 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.632 -15.527 -9.652 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.877 -14.159 -7.087 1.00 0.00 N ATOM 1529 CA LYS A 114 -2.273 -13.292 -5.986 1.00 0.00 C ATOM 1530 C LYS A 114 -1.761 -11.875 -6.161 1.00 0.00 C ATOM 1531 O LYS A 114 -2.541 -10.930 -6.264 1.00 0.00 O ATOM 1532 CB LYS A 114 -1.761 -13.864 -4.674 1.00 0.00 C ATOM 1533 CG LYS A 114 -2.464 -15.142 -4.276 1.00 0.00 C ATOM 1534 CD LYS A 114 -3.972 -14.952 -4.179 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.358 -13.953 -3.097 1.00 0.00 C ATOM 1536 NZ LYS A 114 -5.825 -13.730 -3.068 1.00 0.00 N ATOM 0 H LYS A 114 -1.338 -14.976 -6.800 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.362 -13.249 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.691 -14.055 -4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.890 -13.123 -3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.242 -15.921 -5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.078 -15.485 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.356 -14.610 -5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.445 -15.912 -3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.024 -14.318 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.847 -13.006 -3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.082 -13.226 -2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.106 -13.161 -3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.316 -14.646 -3.096 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.453 -11.737 -6.212 1.00 0.00 N ATOM 1551 CA ILE A 115 0.169 -10.431 -6.246 1.00 0.00 C ATOM 1552 C ILE A 115 0.115 -9.828 -7.651 1.00 0.00 C ATOM 1553 O ILE A 115 0.662 -10.372 -8.615 1.00 0.00 O ATOM 1554 CB ILE A 115 1.613 -10.503 -5.679 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.668 -9.842 -4.315 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.623 -9.829 -6.574 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.777 -10.364 -3.447 1.00 0.00 C ATOM 0 H ILE A 115 0.203 -12.518 -6.231 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.396 -9.757 -5.602 1.00 0.00 H new ATOM 0 HB ILE A 115 1.868 -11.561 -5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.793 -8.767 -4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.716 -9.994 -3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.615 -9.910 -6.129 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.623 -10.312 -7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.362 -8.777 -6.690 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.760 -9.849 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.642 -11.434 -3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.735 -10.188 -3.936 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.624 -8.733 -7.758 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.674 -7.943 -8.978 1.00 0.00 C ATOM 1571 C LYS A 116 0.095 -6.651 -8.767 1.00 0.00 C ATOM 1572 O LYS A 116 -0.419 -5.713 -8.159 1.00 0.00 O ATOM 1573 CB LYS A 116 -2.119 -7.600 -9.354 1.00 0.00 C ATOM 1574 CG LYS A 116 -2.996 -8.790 -9.719 1.00 0.00 C ATOM 1575 CD LYS A 116 -2.964 -9.069 -11.215 1.00 0.00 C ATOM 1576 CE LYS A 116 -1.829 -10.001 -11.605 1.00 0.00 C ATOM 1577 NZ LYS A 116 -2.065 -11.386 -11.122 1.00 0.00 N ATOM 0 H LYS A 116 -1.204 -8.368 -7.003 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.231 -8.528 -9.784 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.579 -7.073 -8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.104 -6.909 -10.197 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.658 -9.673 -9.176 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -4.022 -8.597 -9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.913 -9.509 -11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.860 -8.128 -11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.720 -10.007 -12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -0.892 -9.626 -11.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.431 -12.041 -11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -1.877 -11.434 -10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.053 -11.654 -11.305 1.00 0.00 H new ATOM 1591 N ILE A 117 1.328 -6.616 -9.233 1.00 0.00 N ATOM 1592 CA ILE A 117 2.147 -5.428 -9.123 1.00 0.00 C ATOM 1593 C ILE A 117 2.485 -4.889 -10.507 1.00 0.00 C ATOM 1594 O ILE A 117 2.854 -5.642 -11.412 1.00 0.00 O ATOM 1595 CB ILE A 117 3.420 -5.707 -8.280 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.618 -4.878 -8.732 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.773 -7.180 -8.293 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.543 -3.413 -8.350 1.00 0.00 C ATOM 0 H ILE A 117 1.786 -7.403 -9.694 1.00 0.00 H new ATOM 0 HA ILE A 117 1.581 -4.659 -8.598 1.00 0.00 H new ATOM 0 HB ILE A 117 3.181 -5.407 -7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.524 -5.307 -8.304 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.710 -4.955 -9.815 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.669 -7.345 -7.694 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.947 -7.756 -7.876 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.958 -7.501 -9.318 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.433 -2.897 -8.709 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.657 -2.964 -8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.484 -3.322 -7.265 1.00 0.00 H new ATOM 1610 N GLN A 118 2.329 -3.584 -10.660 1.00 0.00 N ATOM 1611 CA GLN A 118 2.511 -2.920 -11.928 1.00 0.00 C ATOM 1612 C GLN A 118 3.159 -1.569 -11.676 1.00 0.00 C ATOM 1613 O GLN A 118 2.479 -0.547 -11.565 1.00 0.00 O ATOM 1614 CB GLN A 118 1.156 -2.745 -12.603 1.00 0.00 C ATOM 1615 CG GLN A 118 1.190 -2.976 -14.097 1.00 0.00 C ATOM 1616 CD GLN A 118 2.068 -1.987 -14.835 1.00 0.00 C ATOM 1617 OE1 GLN A 118 3.263 -2.221 -15.019 1.00 0.00 O ATOM 1618 NE2 GLN A 118 1.486 -0.877 -15.258 1.00 0.00 N ATOM 0 H GLN A 118 2.071 -2.957 -9.898 1.00 0.00 H new ATOM 0 HA GLN A 118 3.151 -3.511 -12.582 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.443 -3.436 -12.153 1.00 0.00 H new ATOM 0 HB3 GLN A 118 0.790 -1.737 -12.408 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.548 -3.987 -14.294 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.175 -2.915 -14.491 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.493 -0.724 -15.084 1.00 0.00 H new ATOM 0 HE22 GLN A 118 2.030 -0.174 -15.758 1.00 0.00 H new ATOM 1627 N GLY A 119 4.471 -1.578 -11.558 1.00 0.00 N ATOM 1628 CA GLY A 119 5.174 -0.403 -11.117 1.00 0.00 C ATOM 1629 C GLY A 119 6.635 -0.438 -11.477 1.00 0.00 C ATOM 1630 O GLY A 119 7.126 -1.445 -11.992 1.00 0.00 O ATOM 0 H GLY A 119 5.064 -2.383 -11.761 1.00 0.00 H new ATOM 0 HA2 GLY A 119 4.714 0.480 -11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.071 -0.306 -10.036 1.00 0.00 H new ATOM 1634 N ASN A 120 7.311 0.677 -11.238 1.00 0.00 N ATOM 1635 CA ASN A 120 8.744 0.795 -11.489 1.00 0.00 C ATOM 1636 C ASN A 120 9.502 -0.329 -10.783 1.00 0.00 C ATOM 1637 O ASN A 120 9.634 -0.330 -9.557 1.00 0.00 O ATOM 1638 CB ASN A 120 9.258 2.151 -10.997 1.00 0.00 C ATOM 1639 CG ASN A 120 10.709 2.390 -11.367 1.00 0.00 C ATOM 1640 OD1 ASN A 120 11.620 1.982 -10.654 1.00 0.00 O ATOM 1641 ND2 ASN A 120 10.934 3.063 -12.483 1.00 0.00 N ATOM 0 H ASN A 120 6.884 1.525 -10.865 1.00 0.00 H new ATOM 0 HA ASN A 120 8.913 0.717 -12.563 1.00 0.00 H new ATOM 0 HB2 ASN A 120 8.643 2.945 -11.421 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.149 2.206 -9.914 1.00 0.00 H new ATOM 0 HD21 ASN A 120 11.891 3.259 -12.776 1.00 0.00 H new ATOM 0 HD22 ASN A 120 10.150 3.386 -13.050 1.00 0.00 H new ATOM 1648 N MET A 121 9.998 -1.282 -11.556 1.00 0.00 N ATOM 1649 CA MET A 121 10.642 -2.462 -10.992 1.00 0.00 C ATOM 1650 C MET A 121 12.016 -2.132 -10.430 1.00 0.00 C ATOM 1651 O MET A 121 12.503 -2.821 -9.541 1.00 0.00 O ATOM 1652 CB MET A 121 10.742 -3.577 -12.031 1.00 0.00 C ATOM 1653 CG MET A 121 9.394 -4.159 -12.420 1.00 0.00 C ATOM 1654 SD MET A 121 8.540 -4.934 -11.030 1.00 0.00 S ATOM 1655 CE MET A 121 6.980 -5.370 -11.796 1.00 0.00 C ATOM 0 H MET A 121 9.968 -1.263 -12.575 1.00 0.00 H new ATOM 0 HA MET A 121 10.020 -2.812 -10.168 1.00 0.00 H new ATOM 0 HB2 MET A 121 11.234 -3.190 -12.923 1.00 0.00 H new ATOM 0 HB3 MET A 121 11.374 -4.374 -11.639 1.00 0.00 H new ATOM 0 HG2 MET A 121 8.767 -3.368 -12.831 1.00 0.00 H new ATOM 0 HG3 MET A 121 9.536 -4.896 -13.210 1.00 0.00 H new ATOM 0 HE1 MET A 121 6.381 -5.953 -11.096 1.00 0.00 H new ATOM 0 HE2 MET A 121 6.441 -4.462 -12.066 1.00 0.00 H new ATOM 0 HE3 MET A 121 7.167 -5.961 -12.693 1.00 0.00 H new ATOM 1665 N GLY A 122 12.623 -1.054 -10.916 1.00 0.00 N ATOM 1666 CA GLY A 122 13.921 -0.649 -10.409 1.00 0.00 C ATOM 1667 C GLY A 122 13.806 -0.149 -8.990 1.00 0.00 C ATOM 1668 O GLY A 122 14.771 -0.137 -8.227 1.00 0.00 O ATOM 0 H GLY A 122 12.241 -0.456 -11.649 1.00 0.00 H new ATOM 0 HA2 GLY A 122 14.612 -1.491 -10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 122 14.337 0.134 -11.043 1.00 0.00 H new ATOM 1672 N LEU A 123 12.598 0.252 -8.651 1.00 0.00 N ATOM 1673 CA LEU A 123 12.267 0.729 -7.330 1.00 0.00 C ATOM 1674 C LEU A 123 11.811 -0.443 -6.468 1.00 0.00 C ATOM 1675 O LEU A 123 12.226 -0.586 -5.318 1.00 0.00 O ATOM 1676 CB LEU A 123 11.166 1.785 -7.470 1.00 0.00 C ATOM 1677 CG LEU A 123 10.850 2.615 -6.225 1.00 0.00 C ATOM 1678 CD1 LEU A 123 10.419 4.014 -6.634 1.00 0.00 C ATOM 1679 CD2 LEU A 123 9.752 1.951 -5.412 1.00 0.00 C ATOM 0 H LEU A 123 11.809 0.255 -9.297 1.00 0.00 H new ATOM 0 HA LEU A 123 13.133 1.179 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 123 11.449 2.467 -8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.251 1.283 -7.786 1.00 0.00 H new ATOM 0 HG LEU A 123 11.747 2.682 -5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.195 4.601 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.223 4.494 -7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.529 3.952 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.538 2.553 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.851 1.865 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.078 0.958 -5.103 1.00 0.00 H new ATOM 1691 N ALA A 124 10.986 -1.307 -7.055 1.00 0.00 N ATOM 1692 CA ALA A 124 10.446 -2.458 -6.345 1.00 0.00 C ATOM 1693 C ALA A 124 11.531 -3.486 -6.045 1.00 0.00 C ATOM 1694 O ALA A 124 11.396 -4.290 -5.122 1.00 0.00 O ATOM 1695 CB ALA A 124 9.324 -3.097 -7.142 1.00 0.00 C ATOM 0 H ALA A 124 10.678 -1.229 -8.024 1.00 0.00 H new ATOM 0 HA ALA A 124 10.047 -2.103 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.933 -3.955 -6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.526 -2.370 -7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.706 -3.425 -8.109 1.00 0.00 H new ATOM 1701 N MET A 125 12.611 -3.462 -6.823 1.00 0.00 N ATOM 1702 CA MET A 125 13.730 -4.372 -6.592 1.00 0.00 C ATOM 1703 C MET A 125 14.353 -4.141 -5.224 1.00 0.00 C ATOM 1704 O MET A 125 14.981 -5.036 -4.665 1.00 0.00 O ATOM 1705 CB MET A 125 14.805 -4.245 -7.676 1.00 0.00 C ATOM 1706 CG MET A 125 14.483 -5.001 -8.956 1.00 0.00 C ATOM 1707 SD MET A 125 15.918 -5.185 -10.037 1.00 0.00 S ATOM 1708 CE MET A 125 16.284 -3.477 -10.430 1.00 0.00 C ATOM 0 H MET A 125 12.735 -2.828 -7.612 1.00 0.00 H new ATOM 0 HA MET A 125 13.323 -5.382 -6.632 1.00 0.00 H new ATOM 0 HB2 MET A 125 14.944 -3.190 -7.914 1.00 0.00 H new ATOM 0 HB3 MET A 125 15.752 -4.610 -7.279 1.00 0.00 H new ATOM 0 HG2 MET A 125 14.095 -5.988 -8.703 1.00 0.00 H new ATOM 0 HG3 MET A 125 13.693 -4.477 -9.494 1.00 0.00 H new ATOM 0 HE1 MET A 125 17.314 -3.396 -10.778 1.00 0.00 H new ATOM 0 HE2 MET A 125 15.609 -3.131 -11.212 1.00 0.00 H new ATOM 0 HE3 MET A 125 16.153 -2.862 -9.539 1.00 0.00 H new ATOM 1718 N LYS A 126 14.186 -2.947 -4.671 1.00 0.00 N ATOM 1719 CA LYS A 126 14.698 -2.670 -3.360 1.00 0.00 C ATOM 1720 C LYS A 126 13.791 -3.251 -2.287 1.00 0.00 C ATOM 1721 O LYS A 126 14.228 -3.501 -1.174 1.00 0.00 O ATOM 1722 CB LYS A 126 14.861 -1.174 -3.171 1.00 0.00 C ATOM 1723 CG LYS A 126 15.995 -0.570 -3.982 1.00 0.00 C ATOM 1724 CD LYS A 126 17.336 -1.166 -3.579 1.00 0.00 C ATOM 1725 CE LYS A 126 17.701 -0.830 -2.140 1.00 0.00 C ATOM 1726 NZ LYS A 126 18.927 -1.543 -1.698 1.00 0.00 N ATOM 0 H LYS A 126 13.702 -2.167 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 126 15.675 -3.145 -3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 126 13.929 -0.680 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 126 15.033 -0.968 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 126 15.820 -0.745 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 126 16.015 0.510 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 126 17.303 -2.249 -3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 126 18.113 -0.794 -4.246 1.00 0.00 H new ATOM 0 HE2 LYS A 126 17.853 0.245 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 126 16.871 -1.094 -1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 19.161 -1.261 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 18.763 -2.569 -1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 19.717 -1.298 -2.328 1.00 0.00 H new ATOM 1740 N LEU A 127 12.534 -3.489 -2.631 1.00 0.00 N ATOM 1741 CA LEU A 127 11.594 -4.090 -1.694 1.00 0.00 C ATOM 1742 C LEU A 127 11.973 -5.543 -1.438 1.00 0.00 C ATOM 1743 O LEU A 127 11.997 -6.004 -0.295 1.00 0.00 O ATOM 1744 CB LEU A 127 10.165 -4.004 -2.235 1.00 0.00 C ATOM 1745 CG LEU A 127 9.670 -2.590 -2.542 1.00 0.00 C ATOM 1746 CD1 LEU A 127 8.259 -2.629 -3.096 1.00 0.00 C ATOM 1747 CD2 LEU A 127 9.726 -1.723 -1.294 1.00 0.00 C ATOM 0 H LEU A 127 12.142 -3.276 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 127 11.639 -3.540 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 127 10.102 -4.600 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 127 9.491 -4.458 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 127 10.325 -2.153 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.923 -1.614 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.245 -3.216 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.593 -3.085 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.370 -0.720 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.094 -2.159 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 127 10.754 -1.668 -0.935 1.00 0.00 H new ATOM 1759 N THR A 128 12.301 -6.252 -2.511 1.00 0.00 N ATOM 1760 CA THR A 128 12.715 -7.643 -2.409 1.00 0.00 C ATOM 1761 C THR A 128 14.125 -7.734 -1.828 1.00 0.00 C ATOM 1762 O THR A 128 14.578 -8.798 -1.402 1.00 0.00 O ATOM 1763 CB THR A 128 12.657 -8.345 -3.786 1.00 0.00 C ATOM 1764 OG1 THR A 128 12.758 -9.765 -3.629 1.00 0.00 O ATOM 1765 CG2 THR A 128 13.769 -7.863 -4.702 1.00 0.00 C ATOM 0 H THR A 128 12.288 -5.885 -3.462 1.00 0.00 H new ATOM 0 HA THR A 128 12.022 -8.153 -1.740 1.00 0.00 H new ATOM 0 HB THR A 128 11.698 -8.093 -4.239 1.00 0.00 H new ATOM 0 HG1 THR A 128 12.718 -10.195 -4.509 1.00 0.00 H new ATOM 0 HG21 THR A 128 13.699 -8.377 -5.661 1.00 0.00 H new ATOM 0 HG22 THR A 128 13.672 -6.789 -4.858 1.00 0.00 H new ATOM 0 HG23 THR A 128 14.735 -8.078 -4.245 1.00 0.00 H new ATOM 1773 N ASP A 129 14.808 -6.602 -1.822 1.00 0.00 N ATOM 1774 CA ASP A 129 16.130 -6.501 -1.219 1.00 0.00 C ATOM 1775 C ASP A 129 16.010 -6.219 0.275 1.00 0.00 C ATOM 1776 O ASP A 129 16.690 -6.832 1.094 1.00 0.00 O ATOM 1777 CB ASP A 129 16.935 -5.395 -1.900 1.00 0.00 C ATOM 1778 CG ASP A 129 18.325 -5.234 -1.317 1.00 0.00 C ATOM 1779 OD1 ASP A 129 19.071 -6.236 -1.257 1.00 0.00 O ATOM 1780 OD2 ASP A 129 18.681 -4.100 -0.935 1.00 0.00 O ATOM 0 H ASP A 129 14.467 -5.732 -2.231 1.00 0.00 H new ATOM 0 HA ASP A 129 16.649 -7.450 -1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 129 17.016 -5.614 -2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 129 16.397 -4.452 -1.809 1.00 0.00 H new ATOM 1785 N LEU A 130 15.116 -5.301 0.620 1.00 0.00 N ATOM 1786 CA LEU A 130 14.884 -4.933 2.013 1.00 0.00 C ATOM 1787 C LEU A 130 14.348 -6.110 2.818 1.00 0.00 C ATOM 1788 O LEU A 130 14.720 -6.295 3.976 1.00 0.00 O ATOM 1789 CB LEU A 130 13.920 -3.758 2.117 1.00 0.00 C ATOM 1790 CG LEU A 130 14.468 -2.418 1.622 1.00 0.00 C ATOM 1791 CD1 LEU A 130 13.814 -1.296 2.389 1.00 0.00 C ATOM 1792 CD2 LEU A 130 15.981 -2.344 1.771 1.00 0.00 C ATOM 0 H LEU A 130 14.536 -4.795 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 130 15.847 -4.637 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 130 13.020 -3.996 1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 130 13.620 -3.647 3.159 1.00 0.00 H new ATOM 0 HG LEU A 130 14.237 -2.323 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 130 14.203 -0.340 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 130 12.736 -1.328 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 130 14.030 -1.407 3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 130 16.335 -1.379 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 130 16.249 -2.459 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 130 16.443 -3.141 1.189 1.00 0.00 H new ATOM 1804 N GLN A 131 13.492 -6.920 2.195 1.00 0.00 N ATOM 1805 CA GLN A 131 12.894 -8.068 2.874 1.00 0.00 C ATOM 1806 C GLN A 131 13.960 -9.079 3.290 1.00 0.00 C ATOM 1807 O GLN A 131 13.709 -9.943 4.124 1.00 0.00 O ATOM 1808 CB GLN A 131 11.835 -8.754 2.004 1.00 0.00 C ATOM 1809 CG GLN A 131 12.398 -9.488 0.797 1.00 0.00 C ATOM 1810 CD GLN A 131 11.363 -10.363 0.112 1.00 0.00 C ATOM 1811 OE1 GLN A 131 10.443 -10.874 0.750 1.00 0.00 O ATOM 1812 NE2 GLN A 131 11.510 -10.557 -1.188 1.00 0.00 N ATOM 0 H GLN A 131 13.198 -6.803 1.225 1.00 0.00 H new ATOM 0 HA GLN A 131 12.403 -7.686 3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 131 11.279 -9.462 2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 131 11.123 -8.004 1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 131 12.785 -8.762 0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 131 13.240 -10.105 1.111 1.00 0.00 H new ATOM 0 HE21 GLN A 131 12.285 -10.117 -1.685 1.00 0.00 H new ATOM 0 HE22 GLN A 131 10.849 -11.146 -1.694 1.00 0.00 H new ATOM 1821 N ARG A 132 15.142 -8.985 2.689 1.00 0.00 N ATOM 1822 CA ARG A 132 16.247 -9.862 3.052 1.00 0.00 C ATOM 1823 C ARG A 132 16.745 -9.532 4.452 1.00 0.00 C ATOM 1824 O ARG A 132 17.054 -10.424 5.238 1.00 0.00 O ATOM 1825 CB ARG A 132 17.387 -9.741 2.041 1.00 0.00 C ATOM 1826 CG ARG A 132 16.998 -10.087 0.612 1.00 0.00 C ATOM 1827 CD ARG A 132 16.544 -11.535 0.458 1.00 0.00 C ATOM 1828 NE ARG A 132 15.279 -11.806 1.143 1.00 0.00 N ATOM 1829 CZ ARG A 132 14.685 -12.997 1.168 1.00 0.00 C ATOM 1830 NH1 ARG A 132 15.226 -14.026 0.527 1.00 0.00 N ATOM 1831 NH2 ARG A 132 13.551 -13.159 1.839 1.00 0.00 N ATOM 0 H ARG A 132 15.358 -8.313 1.952 1.00 0.00 H new ATOM 0 HA ARG A 132 15.887 -10.891 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 132 17.770 -8.721 2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 132 18.202 -10.394 2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 132 16.197 -9.423 0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 132 17.848 -9.906 -0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 132 16.436 -11.767 -0.602 1.00 0.00 H new ATOM 0 HD3 ARG A 132 17.315 -12.197 0.852 1.00 0.00 H new ATOM 0 HE ARG A 132 14.825 -11.034 1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 132 16.099 -13.905 0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 132 14.769 -14.937 0.548 1.00 0.00 H new ATOM 0 HH21 ARG A 132 13.135 -12.371 2.335 1.00 0.00 H new ATOM 0 HH22 ARG A 132 13.096 -14.072 1.858 1.00 0.00 H new ATOM 1845 N GLN A 133 16.807 -8.243 4.763 1.00 0.00 N ATOM 1846 CA GLN A 133 17.213 -7.805 6.092 1.00 0.00 C ATOM 1847 C GLN A 133 16.013 -7.788 7.031 1.00 0.00 C ATOM 1848 O GLN A 133 16.143 -8.033 8.226 1.00 0.00 O ATOM 1849 CB GLN A 133 17.861 -6.419 6.039 1.00 0.00 C ATOM 1850 CG GLN A 133 19.164 -6.384 5.258 1.00 0.00 C ATOM 1851 CD GLN A 133 19.902 -5.069 5.410 1.00 0.00 C ATOM 1852 OE1 GLN A 133 20.708 -4.898 6.324 1.00 0.00 O ATOM 1853 NE2 GLN A 133 19.652 -4.139 4.506 1.00 0.00 N ATOM 0 H GLN A 133 16.583 -7.486 4.117 1.00 0.00 H new ATOM 0 HA GLN A 133 17.951 -8.512 6.471 1.00 0.00 H new ATOM 0 HB2 GLN A 133 17.159 -5.716 5.590 1.00 0.00 H new ATOM 0 HB3 GLN A 133 18.048 -6.076 7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 133 19.807 -7.198 5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 133 18.955 -6.559 4.203 1.00 0.00 H new ATOM 0 HE21 GLN A 133 18.977 -4.318 3.763 1.00 0.00 H new ATOM 0 HE22 GLN A 133 20.134 -3.241 4.551 1.00 0.00 H new ATOM 1862 N ALA A 134 14.839 -7.525 6.469 1.00 0.00 N ATOM 1863 CA ALA A 134 13.606 -7.461 7.246 1.00 0.00 C ATOM 1864 C ALA A 134 13.001 -8.849 7.455 1.00 0.00 C ATOM 1865 O ALA A 134 11.837 -8.980 7.837 1.00 0.00 O ATOM 1866 CB ALA A 134 12.603 -6.544 6.562 1.00 0.00 C ATOM 0 H ALA A 134 14.715 -7.352 5.472 1.00 0.00 H new ATOM 0 HA ALA A 134 13.850 -7.055 8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 134 11.686 -6.504 7.151 1.00 0.00 H new ATOM 0 HB2 ALA A 134 13.024 -5.542 6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 134 12.379 -6.928 5.567 1.00 0.00 H new ATOM 1872 N ALA A 135 13.797 -9.883 7.219 1.00 0.00 N ATOM 1873 CA ALA A 135 13.346 -11.256 7.404 1.00 0.00 C ATOM 1874 C ALA A 135 13.619 -11.719 8.829 1.00 0.00 C ATOM 1875 O ALA A 135 13.708 -12.918 9.101 1.00 0.00 O ATOM 1876 CB ALA A 135 14.033 -12.178 6.407 1.00 0.00 C ATOM 0 H ALA A 135 14.761 -9.797 6.898 1.00 0.00 H new ATOM 0 HA ALA A 135 12.271 -11.293 7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 135 13.686 -13.200 6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 135 13.794 -11.859 5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 135 15.112 -12.136 6.556 1.00 0.00 H new ATOM 1882 N GLY A 136 13.746 -10.760 9.736 1.00 0.00 N ATOM 1883 CA GLY A 136 14.081 -11.075 11.105 1.00 0.00 C ATOM 1884 C GLY A 136 15.557 -11.356 11.253 1.00 0.00 C ATOM 1885 O GLY A 136 15.952 -12.322 11.907 1.00 0.00 O ATOM 0 H GLY A 136 13.622 -9.766 9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 136 13.799 -10.244 11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.508 -11.942 11.432 1.00 0.00 H new ATOM 1889 N ARG A 137 16.376 -10.514 10.632 1.00 0.00 N ATOM 1890 CA ARG A 137 17.816 -10.712 10.639 1.00 0.00 C ATOM 1891 C ARG A 137 18.399 -10.372 12.006 1.00 0.00 C ATOM 1892 O ARG A 137 18.785 -9.231 12.283 1.00 0.00 O ATOM 1893 CB ARG A 137 18.485 -9.887 9.536 1.00 0.00 C ATOM 1894 CG ARG A 137 19.988 -10.095 9.451 1.00 0.00 C ATOM 1895 CD ARG A 137 20.571 -9.471 8.193 1.00 0.00 C ATOM 1896 NE ARG A 137 20.106 -10.142 6.977 1.00 0.00 N ATOM 1897 CZ ARG A 137 20.496 -9.815 5.745 1.00 0.00 C ATOM 1898 NH1 ARG A 137 21.360 -8.824 5.556 1.00 0.00 N ATOM 1899 NH2 ARG A 137 20.024 -10.485 4.703 1.00 0.00 N ATOM 0 H ARG A 137 16.065 -9.689 10.119 1.00 0.00 H new ATOM 0 HA ARG A 137 18.017 -11.764 10.438 1.00 0.00 H new ATOM 0 HB2 ARG A 137 18.036 -10.145 8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 137 18.282 -8.830 9.709 1.00 0.00 H new ATOM 0 HG2 ARG A 137 20.466 -9.660 10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 137 20.209 -11.162 9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 137 20.297 -8.417 8.152 1.00 0.00 H new ATOM 0 HD3 ARG A 137 21.659 -9.516 8.238 1.00 0.00 H new ATOM 0 HE ARG A 137 19.441 -10.909 7.079 1.00 0.00 H new ATOM 0 HH11 ARG A 137 21.728 -8.309 6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 137 21.655 -8.578 4.611 1.00 0.00 H new ATOM 0 HH21 ARG A 137 19.364 -11.249 4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 137 20.321 -10.236 3.760 1.00 0.00 H new ATOM 1913 N ILE A 138 18.438 -11.381 12.854 1.00 0.00 N ATOM 1914 CA ILE A 138 19.010 -11.273 14.180 1.00 0.00 C ATOM 1915 C ILE A 138 20.524 -11.239 14.099 1.00 0.00 C ATOM 1916 O ILE A 138 21.173 -10.315 14.592 1.00 0.00 O ATOM 1917 CB ILE A 138 18.576 -12.474 15.054 1.00 0.00 C ATOM 1918 CG1 ILE A 138 17.121 -12.331 15.495 1.00 0.00 C ATOM 1919 CG2 ILE A 138 19.487 -12.654 16.255 1.00 0.00 C ATOM 1920 CD1 ILE A 138 16.835 -11.076 16.295 1.00 0.00 C ATOM 0 H ILE A 138 18.070 -12.308 12.639 1.00 0.00 H new ATOM 0 HA ILE A 138 18.650 -10.349 14.631 1.00 0.00 H new ATOM 0 HB ILE A 138 18.662 -13.370 14.440 1.00 0.00 H new ATOM 0 HG12 ILE A 138 16.483 -12.338 14.611 1.00 0.00 H new ATOM 0 HG13 ILE A 138 16.847 -13.200 16.093 1.00 0.00 H new ATOM 0 HG21 ILE A 138 19.149 -13.507 16.843 1.00 0.00 H new ATOM 0 HG22 ILE A 138 20.508 -12.829 15.915 1.00 0.00 H new ATOM 0 HG23 ILE A 138 19.459 -11.755 16.871 1.00 0.00 H new ATOM 0 HD11 ILE A 138 15.780 -11.051 16.569 1.00 0.00 H new ATOM 0 HD12 ILE A 138 17.444 -11.074 17.199 1.00 0.00 H new ATOM 0 HD13 ILE A 138 17.074 -10.199 15.694 1.00 0.00 H new ATOM 1932 N GLU A 139 21.072 -12.250 13.456 1.00 0.00 N ATOM 1933 CA GLU A 139 22.504 -12.440 13.412 1.00 0.00 C ATOM 1934 C GLU A 139 23.074 -11.959 12.082 1.00 0.00 C ATOM 1935 O GLU A 139 22.345 -11.796 11.101 1.00 0.00 O ATOM 1936 CB GLU A 139 22.818 -13.917 13.636 1.00 0.00 C ATOM 1937 CG GLU A 139 22.307 -14.816 12.522 1.00 0.00 C ATOM 1938 CD GLU A 139 22.704 -16.261 12.703 1.00 0.00 C ATOM 1939 OE1 GLU A 139 23.892 -16.586 12.499 1.00 0.00 O ATOM 1940 OE2 GLU A 139 21.831 -17.085 13.046 1.00 0.00 O ATOM 0 H GLU A 139 20.539 -12.959 12.952 1.00 0.00 H new ATOM 0 HA GLU A 139 22.971 -11.849 14.200 1.00 0.00 H new ATOM 0 HB2 GLU A 139 23.897 -14.042 13.728 1.00 0.00 H new ATOM 0 HB3 GLU A 139 22.378 -14.236 14.581 1.00 0.00 H new ATOM 0 HG2 GLU A 139 21.220 -14.746 12.476 1.00 0.00 H new ATOM 0 HG3 GLU A 139 22.690 -14.456 11.567 1.00 0.00 H new ATOM 1947 N SER A 140 24.372 -11.709 12.064 1.00 0.00 N ATOM 1948 CA SER A 140 25.059 -11.281 10.852 1.00 0.00 C ATOM 1949 C SER A 140 26.534 -11.656 10.920 1.00 0.00 C ATOM 1950 O SER A 140 27.130 -12.064 9.925 1.00 0.00 O ATOM 1951 CB SER A 140 24.914 -9.768 10.655 1.00 0.00 C ATOM 1952 OG SER A 140 23.550 -9.390 10.558 1.00 0.00 O ATOM 0 H SER A 140 24.977 -11.795 12.880 1.00 0.00 H new ATOM 0 HA SER A 140 24.602 -11.789 10.003 1.00 0.00 H new ATOM 0 HB2 SER A 140 25.381 -9.244 11.489 1.00 0.00 H new ATOM 0 HB3 SER A 140 25.443 -9.464 9.752 1.00 0.00 H new ATOM 0 HG SER A 140 23.487 -8.420 10.434 1.00 0.00 H new ATOM 1958 N ILE A 141 27.111 -11.518 12.102 1.00 0.00 N ATOM 1959 CA ILE A 141 28.516 -11.819 12.312 1.00 0.00 C ATOM 1960 C ILE A 141 28.659 -13.143 13.052 1.00 0.00 C ATOM 1961 O ILE A 141 28.375 -13.175 14.268 1.00 0.00 O ATOM 1962 CB ILE A 141 29.211 -10.702 13.122 1.00 0.00 C ATOM 1963 CG1 ILE A 141 28.941 -9.335 12.486 1.00 0.00 C ATOM 1964 CG2 ILE A 141 30.709 -10.962 13.206 1.00 0.00 C ATOM 1965 CD1 ILE A 141 29.474 -8.172 13.294 1.00 0.00 C ATOM 1966 OXT ILE A 141 29.046 -14.147 12.417 1.00 0.00 O ATOM 0 H ILE A 141 26.622 -11.196 12.937 1.00 0.00 H new ATOM 0 HA ILE A 141 28.994 -11.888 11.335 1.00 0.00 H new ATOM 0 HB ILE A 141 28.802 -10.701 14.132 1.00 0.00 H new ATOM 0 HG12 ILE A 141 29.389 -9.311 11.493 1.00 0.00 H new ATOM 0 HG13 ILE A 141 27.866 -9.212 12.354 1.00 0.00 H new ATOM 0 HG21 ILE A 141 31.185 -10.167 13.780 1.00 0.00 H new ATOM 0 HG22 ILE A 141 30.885 -11.919 13.697 1.00 0.00 H new ATOM 0 HG23 ILE A 141 31.131 -10.987 12.201 1.00 0.00 H new ATOM 0 HD11 ILE A 141 29.245 -7.238 12.781 1.00 0.00 H new ATOM 0 HD12 ILE A 141 29.007 -8.169 14.279 1.00 0.00 H new ATOM 0 HD13 ILE A 141 30.554 -8.270 13.405 1.00 0.00 H new TER 1978 ILE A 141