USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 490 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 27 GLN : amide:sc= -1.03 X(o=-2.8,f=-2.9) USER MOD Set 1.2: A 55 GLN : amide:sc= -1.81! X(o=-2.8!,f=-2.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.2) USER MOD Single : A 16 SER OG : rot -43:sc= 0.366 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -1.51 F(o=-6.1!,f=-1.5) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0496 K(o=-0.05,f=-1.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -149:sc= -0.26 (180deg=-1.04) USER MOD Single : A 54 MET CE :methyl 172:sc= -2.95! (180deg=-3.14!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.367 -11.045 -4.786 1.00 0.00 N ATOM 2 CA GLY A 1 16.121 -11.622 -5.254 1.00 0.00 C ATOM 3 C GLY A 1 15.401 -12.403 -4.172 1.00 0.00 C ATOM 4 O GLY A 1 15.353 -13.631 -4.212 1.00 0.00 O ATOM 0 H1 GLY A 1 17.820 -10.522 -5.562 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.174 -10.396 -3.997 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.001 -11.803 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.470 -10.827 -5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.324 -12.280 -6.099 1.00 0.00 H new ATOM 8 N SER A 2 14.843 -11.687 -3.201 1.00 0.00 N ATOM 9 CA SER A 2 14.126 -12.321 -2.100 1.00 0.00 C ATOM 10 C SER A 2 12.822 -11.586 -1.805 1.00 0.00 C ATOM 11 O SER A 2 12.547 -10.533 -2.381 1.00 0.00 O ATOM 12 CB SER A 2 15.002 -12.352 -0.846 1.00 0.00 C ATOM 13 OG SER A 2 16.068 -13.275 -0.990 1.00 0.00 O ATOM 0 H SER A 2 14.873 -10.669 -3.154 1.00 0.00 H new ATOM 0 HA SER A 2 13.887 -13.343 -2.395 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.402 -11.357 -0.654 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.396 -12.624 0.018 1.00 0.00 H new ATOM 0 HG SER A 2 16.613 -13.274 -0.176 1.00 0.00 H new ATOM 19 N SER A 3 12.024 -12.150 -0.905 1.00 0.00 N ATOM 20 CA SER A 3 10.746 -11.551 -0.535 1.00 0.00 C ATOM 21 C SER A 3 10.921 -10.080 -0.170 1.00 0.00 C ATOM 22 O SER A 3 10.311 -9.201 -0.778 1.00 0.00 O ATOM 23 CB SER A 3 10.125 -12.309 0.640 1.00 0.00 C ATOM 24 OG SER A 3 9.755 -13.623 0.259 1.00 0.00 O ATOM 0 H SER A 3 12.239 -13.020 -0.418 1.00 0.00 H new ATOM 0 HA SER A 3 10.079 -11.617 -1.395 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.836 -12.352 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.249 -11.771 1.002 1.00 0.00 H new ATOM 0 HG SER A 3 9.362 -14.088 1.027 1.00 0.00 H new ATOM 30 N GLY A 4 11.759 -9.819 0.828 1.00 0.00 N ATOM 31 CA GLY A 4 12.001 -8.455 1.257 1.00 0.00 C ATOM 32 C GLY A 4 13.455 -8.049 1.115 1.00 0.00 C ATOM 33 O GLY A 4 14.260 -8.273 2.017 1.00 0.00 O ATOM 0 H GLY A 4 12.275 -10.529 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.380 -7.778 0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.697 -8.346 2.298 1.00 0.00 H new ATOM 37 N SER A 5 13.791 -7.453 -0.025 1.00 0.00 N ATOM 38 CA SER A 5 15.159 -7.020 -0.285 1.00 0.00 C ATOM 39 C SER A 5 15.689 -6.172 0.865 1.00 0.00 C ATOM 40 O SER A 5 15.095 -5.157 1.230 1.00 0.00 O ATOM 41 CB SER A 5 15.224 -6.225 -1.592 1.00 0.00 C ATOM 42 OG SER A 5 15.155 -7.086 -2.716 1.00 0.00 O ATOM 0 H SER A 5 13.136 -7.259 -0.782 1.00 0.00 H new ATOM 0 HA SER A 5 15.784 -7.908 -0.375 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.403 -5.509 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.150 -5.650 -1.626 1.00 0.00 H new ATOM 0 HG SER A 5 15.197 -6.554 -3.538 1.00 0.00 H new ATOM 48 N SER A 6 16.813 -6.595 1.437 1.00 0.00 N ATOM 49 CA SER A 6 17.422 -5.878 2.550 1.00 0.00 C ATOM 50 C SER A 6 17.590 -4.399 2.216 1.00 0.00 C ATOM 51 O SER A 6 17.593 -4.010 1.049 1.00 0.00 O ATOM 52 CB SER A 6 18.782 -6.491 2.896 1.00 0.00 C ATOM 53 OG SER A 6 18.662 -7.876 3.168 1.00 0.00 O ATOM 0 H SER A 6 17.320 -7.431 1.147 1.00 0.00 H new ATOM 0 HA SER A 6 16.761 -5.966 3.412 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.475 -6.338 2.068 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.204 -5.982 3.763 1.00 0.00 H new ATOM 0 HG SER A 6 19.544 -8.244 3.384 1.00 0.00 H new ATOM 59 N GLY A 7 17.726 -3.577 3.253 1.00 0.00 N ATOM 60 CA GLY A 7 17.891 -2.149 3.052 1.00 0.00 C ATOM 61 C GLY A 7 16.791 -1.555 2.192 1.00 0.00 C ATOM 62 O GLY A 7 15.661 -1.387 2.649 1.00 0.00 O ATOM 0 H GLY A 7 17.725 -3.875 4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.903 -1.648 4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.857 -1.960 2.583 1.00 0.00 H new ATOM 66 N GLN A 8 17.124 -1.235 0.947 1.00 0.00 N ATOM 67 CA GLN A 8 16.156 -0.652 0.024 1.00 0.00 C ATOM 68 C GLN A 8 14.849 -1.435 0.043 1.00 0.00 C ATOM 69 O GLN A 8 14.831 -2.660 0.163 1.00 0.00 O ATOM 70 CB GLN A 8 16.728 -0.623 -1.395 1.00 0.00 C ATOM 71 CG GLN A 8 15.704 -0.250 -2.455 1.00 0.00 C ATOM 72 CD GLN A 8 16.068 -0.777 -3.830 1.00 0.00 C ATOM 73 OE1 GLN A 8 17.220 -1.125 -4.088 1.00 0.00 O ATOM 74 NE2 GLN A 8 15.084 -0.840 -4.719 1.00 0.00 N ATOM 0 H GLN A 8 18.055 -1.369 0.553 1.00 0.00 H new ATOM 0 HA GLN A 8 15.951 0.369 0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 8 17.552 0.089 -1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 8 17.143 -1.603 -1.631 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.729 -0.642 -2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.611 0.835 -2.499 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.144 -0.541 -4.461 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.268 -1.188 -5.660 1.00 0.00 H new ATOM 83 N PRO A 9 13.724 -0.713 -0.078 1.00 0.00 N ATOM 84 CA PRO A 9 12.390 -1.318 -0.077 1.00 0.00 C ATOM 85 C PRO A 9 12.120 -2.127 -1.341 1.00 0.00 C ATOM 86 O PRO A 9 12.849 -2.041 -2.331 1.00 0.00 O ATOM 87 CB PRO A 9 11.452 -0.110 -0.007 1.00 0.00 C ATOM 88 CG PRO A 9 12.236 1.014 -0.592 1.00 0.00 C ATOM 89 CD PRO A 9 13.670 0.752 -0.225 1.00 0.00 C ATOM 0 HA PRO A 9 12.263 -2.022 0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.535 -0.288 -0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.159 0.105 1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.111 1.055 -1.674 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.900 1.972 -0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.353 1.103 -0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.947 1.259 0.699 1.00 0.00 H new ATOM 97 N PRO A 10 11.049 -2.935 -1.311 1.00 0.00 N ATOM 98 CA PRO A 10 10.659 -3.776 -2.447 1.00 0.00 C ATOM 99 C PRO A 10 10.132 -2.958 -3.620 1.00 0.00 C ATOM 100 O PRO A 10 10.296 -1.738 -3.662 1.00 0.00 O ATOM 101 CB PRO A 10 9.551 -4.660 -1.869 1.00 0.00 C ATOM 102 CG PRO A 10 8.988 -3.871 -0.739 1.00 0.00 C ATOM 103 CD PRO A 10 10.137 -3.089 -0.166 1.00 0.00 C ATOM 0 HA PRO A 10 11.503 -4.336 -2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.789 -4.880 -2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.946 -5.616 -1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.197 -3.205 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.548 -4.526 0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.812 -2.123 0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.613 -3.620 0.658 1.00 0.00 H new ATOM 111 N LEU A 11 9.495 -3.634 -4.568 1.00 0.00 N ATOM 112 CA LEU A 11 8.942 -2.969 -5.743 1.00 0.00 C ATOM 113 C LEU A 11 7.845 -1.987 -5.345 1.00 0.00 C ATOM 114 O LEU A 11 6.920 -2.335 -4.612 1.00 0.00 O ATOM 115 CB LEU A 11 8.386 -4.002 -6.724 1.00 0.00 C ATOM 116 CG LEU A 11 9.367 -4.528 -7.772 1.00 0.00 C ATOM 117 CD1 LEU A 11 10.177 -5.685 -7.212 1.00 0.00 C ATOM 118 CD2 LEU A 11 8.625 -4.954 -9.031 1.00 0.00 C ATOM 0 H LEU A 11 9.348 -4.643 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 11 9.745 -2.413 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.007 -4.849 -6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.534 -3.560 -7.242 1.00 0.00 H new ATOM 0 HG LEU A 11 10.054 -3.724 -8.034 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.870 -6.046 -7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.738 -5.348 -6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.505 -6.492 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.339 -5.326 -9.766 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.914 -5.743 -8.785 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.090 -4.099 -9.445 1.00 0.00 H new ATOM 130 N LYS A 12 7.953 -0.756 -5.837 1.00 0.00 N ATOM 131 CA LYS A 12 6.970 0.277 -5.537 1.00 0.00 C ATOM 132 C LYS A 12 5.646 -0.013 -6.237 1.00 0.00 C ATOM 133 O LYS A 12 4.576 0.286 -5.709 1.00 0.00 O ATOM 134 CB LYS A 12 7.494 1.650 -5.964 1.00 0.00 C ATOM 135 CG LYS A 12 7.737 1.769 -7.459 1.00 0.00 C ATOM 136 CD LYS A 12 8.314 3.128 -7.822 1.00 0.00 C ATOM 137 CE LYS A 12 9.834 3.120 -7.762 1.00 0.00 C ATOM 138 NZ LYS A 12 10.438 2.634 -9.034 1.00 0.00 N ATOM 0 H LYS A 12 8.713 -0.451 -6.446 1.00 0.00 H new ATOM 0 HA LYS A 12 6.800 0.279 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.779 2.414 -5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.425 1.855 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.421 0.984 -7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.800 1.615 -7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.989 3.407 -8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.925 3.884 -7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.194 4.127 -7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.161 2.485 -6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.475 2.644 -8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.115 1.664 -9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.147 3.255 -9.816 1.00 0.00 H new ATOM 152 N ASN A 13 5.727 -0.597 -7.428 1.00 0.00 N ATOM 153 CA ASN A 13 4.534 -0.928 -8.200 1.00 0.00 C ATOM 154 C ASN A 13 3.878 -2.200 -7.670 1.00 0.00 C ATOM 155 O ASN A 13 2.653 -2.331 -7.680 1.00 0.00 O ATOM 156 CB ASN A 13 4.889 -1.101 -9.678 1.00 0.00 C ATOM 157 CG ASN A 13 5.930 -2.181 -9.899 1.00 0.00 C ATOM 158 OD1 ASN A 13 5.643 -3.371 -9.778 1.00 0.00 O ATOM 159 ND2 ASN A 13 7.150 -1.768 -10.225 1.00 0.00 N ATOM 0 H ASN A 13 6.606 -0.851 -7.880 1.00 0.00 H new ATOM 0 HA ASN A 13 3.826 -0.106 -8.097 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.988 -1.348 -10.239 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.261 -0.155 -10.073 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.893 -2.448 -10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.344 -0.771 -10.315 1.00 0.00 H new ATOM 166 N LEU A 14 4.702 -3.134 -7.208 1.00 0.00 N ATOM 167 CA LEU A 14 4.204 -4.396 -6.672 1.00 0.00 C ATOM 168 C LEU A 14 3.090 -4.156 -5.658 1.00 0.00 C ATOM 169 O LEU A 14 2.058 -4.829 -5.681 1.00 0.00 O ATOM 170 CB LEU A 14 5.343 -5.182 -6.020 1.00 0.00 C ATOM 171 CG LEU A 14 4.930 -6.401 -5.193 1.00 0.00 C ATOM 172 CD1 LEU A 14 6.035 -7.446 -5.197 1.00 0.00 C ATOM 173 CD2 LEU A 14 4.588 -5.988 -3.770 1.00 0.00 C ATOM 0 H LEU A 14 5.718 -3.041 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 14 3.797 -4.978 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.024 -5.513 -6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.904 -4.504 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 14 4.041 -6.840 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.724 -8.306 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.232 -7.763 -6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.942 -7.018 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.296 -6.868 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.459 -5.524 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.763 -5.276 -3.786 1.00 0.00 H new ATOM 185 N LEU A 15 3.304 -3.192 -4.769 1.00 0.00 N ATOM 186 CA LEU A 15 2.319 -2.860 -3.746 1.00 0.00 C ATOM 187 C LEU A 15 1.207 -1.989 -4.324 1.00 0.00 C ATOM 188 O LEU A 15 0.029 -2.200 -4.041 1.00 0.00 O ATOM 189 CB LEU A 15 2.990 -2.141 -2.575 1.00 0.00 C ATOM 190 CG LEU A 15 4.171 -2.868 -1.929 1.00 0.00 C ATOM 191 CD1 LEU A 15 4.917 -1.939 -0.985 1.00 0.00 C ATOM 192 CD2 LEU A 15 3.693 -4.110 -1.192 1.00 0.00 C ATOM 0 H LEU A 15 4.152 -2.626 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 15 1.878 -3.790 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.335 -1.167 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.238 -1.958 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 15 4.857 -3.179 -2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.754 -2.473 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.292 -1.080 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.241 -1.597 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.546 -4.615 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.986 -3.822 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.204 -4.784 -1.895 1.00 0.00 H new ATOM 204 N SER A 16 1.593 -1.009 -5.136 1.00 0.00 N ATOM 205 CA SER A 16 0.630 -0.104 -5.751 1.00 0.00 C ATOM 206 C SER A 16 -0.556 -0.877 -6.319 1.00 0.00 C ATOM 207 O SER A 16 -1.707 -0.461 -6.180 1.00 0.00 O ATOM 208 CB SER A 16 1.300 0.710 -6.861 1.00 0.00 C ATOM 209 OG SER A 16 1.509 -0.079 -8.019 1.00 0.00 O ATOM 0 H SER A 16 2.565 -0.822 -5.383 1.00 0.00 H new ATOM 0 HA SER A 16 0.264 0.575 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.679 1.570 -7.111 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.254 1.099 -6.505 1.00 0.00 H new ATOM 0 HG SER A 16 1.851 -0.960 -7.758 1.00 0.00 H new ATOM 215 N LEU A 17 -0.267 -2.006 -6.959 1.00 0.00 N ATOM 216 CA LEU A 17 -1.309 -2.839 -7.549 1.00 0.00 C ATOM 217 C LEU A 17 -2.360 -3.213 -6.509 1.00 0.00 C ATOM 218 O LEU A 17 -3.556 -3.002 -6.715 1.00 0.00 O ATOM 219 CB LEU A 17 -0.697 -4.105 -8.151 1.00 0.00 C ATOM 220 CG LEU A 17 0.389 -3.889 -9.205 1.00 0.00 C ATOM 221 CD1 LEU A 17 1.376 -5.047 -9.199 1.00 0.00 C ATOM 222 CD2 LEU A 17 -0.232 -3.721 -10.583 1.00 0.00 C ATOM 0 H LEU A 17 0.680 -2.365 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.794 -2.266 -8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.276 -4.701 -7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.497 -4.694 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 17 0.931 -2.976 -8.960 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.142 -4.876 -9.956 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.845 -5.120 -8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.849 -5.975 -9.419 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.556 -3.568 -11.321 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.799 -4.616 -10.838 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.898 -2.858 -10.579 1.00 0.00 H new ATOM 234 N LEU A 18 -1.907 -3.769 -5.391 1.00 0.00 N ATOM 235 CA LEU A 18 -2.809 -4.171 -4.317 1.00 0.00 C ATOM 236 C LEU A 18 -3.875 -3.108 -4.074 1.00 0.00 C ATOM 237 O LEU A 18 -5.044 -3.425 -3.850 1.00 0.00 O ATOM 238 CB LEU A 18 -2.020 -4.421 -3.029 1.00 0.00 C ATOM 239 CG LEU A 18 -1.363 -5.796 -2.901 1.00 0.00 C ATOM 240 CD1 LEU A 18 -0.228 -5.753 -1.891 1.00 0.00 C ATOM 241 CD2 LEU A 18 -2.393 -6.845 -2.506 1.00 0.00 C ATOM 0 H LEU A 18 -0.921 -3.952 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.304 -5.094 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.243 -3.660 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.692 -4.281 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.948 -6.071 -3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.227 -6.740 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.522 -5.032 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.618 -5.456 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.908 -7.817 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.838 -6.575 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.172 -6.895 -3.267 1.00 0.00 H new ATOM 253 N LYS A 19 -3.466 -1.845 -4.122 1.00 0.00 N ATOM 254 CA LYS A 19 -4.386 -0.733 -3.912 1.00 0.00 C ATOM 255 C LYS A 19 -5.674 -0.935 -4.707 1.00 0.00 C ATOM 256 O LYS A 19 -6.768 -0.673 -4.210 1.00 0.00 O ATOM 257 CB LYS A 19 -3.726 0.586 -4.316 1.00 0.00 C ATOM 258 CG LYS A 19 -4.238 1.785 -3.537 1.00 0.00 C ATOM 259 CD LYS A 19 -4.017 3.081 -4.300 1.00 0.00 C ATOM 260 CE LYS A 19 -3.920 4.273 -3.359 1.00 0.00 C ATOM 261 NZ LYS A 19 -3.797 5.558 -4.101 1.00 0.00 N ATOM 0 H LYS A 19 -2.502 -1.565 -4.305 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.636 -0.696 -2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.649 0.503 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.893 0.756 -5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.301 1.660 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.731 1.838 -2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.103 3.006 -4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.837 3.236 -5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.804 4.305 -2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.058 4.149 -2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.734 6.345 -3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.940 5.538 -4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.631 5.690 -4.708 1.00 0.00 H new ATOM 275 N ALA A 20 -5.532 -1.402 -5.943 1.00 0.00 N ATOM 276 CA ALA A 20 -6.684 -1.642 -6.805 1.00 0.00 C ATOM 277 C ALA A 20 -7.875 -2.148 -6.000 1.00 0.00 C ATOM 278 O ALA A 20 -8.992 -1.650 -6.145 1.00 0.00 O ATOM 279 CB ALA A 20 -6.325 -2.632 -7.902 1.00 0.00 C ATOM 0 H ALA A 20 -4.632 -1.622 -6.370 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.967 -0.695 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.194 -2.802 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.509 -2.230 -8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.014 -3.575 -7.453 1.00 0.00 H new ATOM 285 N TYR A 21 -7.631 -3.142 -5.153 1.00 0.00 N ATOM 286 CA TYR A 21 -8.687 -3.719 -4.328 1.00 0.00 C ATOM 287 C TYR A 21 -9.162 -2.721 -3.276 1.00 0.00 C ATOM 288 O TYR A 21 -10.357 -2.449 -3.156 1.00 0.00 O ATOM 289 CB TYR A 21 -8.191 -4.995 -3.648 1.00 0.00 C ATOM 290 CG TYR A 21 -7.784 -6.080 -4.619 1.00 0.00 C ATOM 291 CD1 TYR A 21 -8.728 -6.947 -5.158 1.00 0.00 C ATOM 292 CD2 TYR A 21 -6.458 -6.238 -5.001 1.00 0.00 C ATOM 293 CE1 TYR A 21 -8.362 -7.939 -6.046 1.00 0.00 C ATOM 294 CE2 TYR A 21 -6.083 -7.227 -5.889 1.00 0.00 C ATOM 295 CZ TYR A 21 -7.038 -8.075 -6.408 1.00 0.00 C ATOM 296 OH TYR A 21 -6.670 -9.062 -7.293 1.00 0.00 O ATOM 0 H TYR A 21 -6.712 -3.565 -5.019 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.528 -3.964 -4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.340 -4.750 -3.012 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.976 -5.378 -2.996 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.766 -6.843 -4.877 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.707 -5.576 -4.596 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.108 -8.604 -6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.047 -7.335 -6.175 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.703 -9.022 -7.444 1.00 0.00 H new ATOM 306 N TYR A 22 -8.217 -2.177 -2.516 1.00 0.00 N ATOM 307 CA TYR A 22 -8.538 -1.211 -1.471 1.00 0.00 C ATOM 308 C TYR A 22 -9.651 -0.269 -1.924 1.00 0.00 C ATOM 309 O TYR A 22 -10.401 0.260 -1.105 1.00 0.00 O ATOM 310 CB TYR A 22 -7.294 -0.405 -1.096 1.00 0.00 C ATOM 311 CG TYR A 22 -7.513 0.536 0.068 1.00 0.00 C ATOM 312 CD1 TYR A 22 -8.317 1.661 -0.065 1.00 0.00 C ATOM 313 CD2 TYR A 22 -6.914 0.300 1.299 1.00 0.00 C ATOM 314 CE1 TYR A 22 -8.518 2.524 0.996 1.00 0.00 C ATOM 315 CE2 TYR A 22 -7.111 1.157 2.365 1.00 0.00 C ATOM 316 CZ TYR A 22 -7.913 2.268 2.209 1.00 0.00 C ATOM 317 OH TYR A 22 -8.112 3.124 3.266 1.00 0.00 O ATOM 0 H TYR A 22 -7.223 -2.388 -2.604 1.00 0.00 H new ATOM 0 HA TYR A 22 -8.885 -1.760 -0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.486 -1.093 -0.849 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.969 0.171 -1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -8.793 1.865 -1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.284 -0.568 1.425 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.146 3.395 0.876 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.639 0.958 3.316 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.617 2.800 4.047 1.00 0.00 H new ATOM 327 N ALA A 23 -9.749 -0.068 -3.234 1.00 0.00 N ATOM 328 CA ALA A 23 -10.772 0.806 -3.796 1.00 0.00 C ATOM 329 C ALA A 23 -12.163 0.403 -3.319 1.00 0.00 C ATOM 330 O ALA A 23 -12.923 1.233 -2.818 1.00 0.00 O ATOM 331 CB ALA A 23 -10.706 0.785 -5.316 1.00 0.00 C ATOM 0 H ALA A 23 -9.134 -0.498 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.578 1.821 -3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.475 1.442 -5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.725 1.130 -5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.871 -0.231 -5.673 1.00 0.00 H new ATOM 337 N LEU A 24 -12.490 -0.875 -3.479 1.00 0.00 N ATOM 338 CA LEU A 24 -13.792 -1.388 -3.065 1.00 0.00 C ATOM 339 C LEU A 24 -13.766 -1.821 -1.602 1.00 0.00 C ATOM 340 O LEU A 24 -14.722 -1.596 -0.862 1.00 0.00 O ATOM 341 CB LEU A 24 -14.202 -2.567 -3.950 1.00 0.00 C ATOM 342 CG LEU A 24 -13.249 -3.761 -3.961 1.00 0.00 C ATOM 343 CD1 LEU A 24 -13.616 -4.748 -2.863 1.00 0.00 C ATOM 344 CD2 LEU A 24 -13.265 -4.445 -5.322 1.00 0.00 C ATOM 0 H LEU A 24 -11.873 -1.574 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.523 -0.587 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -15.183 -2.914 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.312 -2.206 -4.973 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.239 -3.396 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.926 -5.592 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.552 -4.254 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.633 -5.107 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.580 -5.293 -5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -14.274 -4.796 -5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.953 -3.736 -6.089 1.00 0.00 H new ATOM 356 N ASN A 25 -12.664 -2.441 -1.194 1.00 0.00 N ATOM 357 CA ASN A 25 -12.513 -2.904 0.182 1.00 0.00 C ATOM 358 C ASN A 25 -11.187 -2.431 0.771 1.00 0.00 C ATOM 359 O ASN A 25 -10.155 -3.083 0.605 1.00 0.00 O ATOM 360 CB ASN A 25 -12.596 -4.430 0.239 1.00 0.00 C ATOM 361 CG ASN A 25 -12.979 -4.937 1.617 1.00 0.00 C ATOM 362 OD1 ASN A 25 -12.225 -4.525 2.630 1.00 0.00 O flip ATOM 363 ND2 ASN A 25 -13.942 -5.688 1.768 1.00 0.00 N flip ATOM 0 H ASN A 25 -11.863 -2.635 -1.795 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.324 -2.481 0.775 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -13.328 -4.779 -0.490 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.634 -4.855 -0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.493 -5.979 0.961 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -14.189 -6.020 2.700 1.00 0.00 H new ATOM 370 N ALA A 26 -11.223 -1.297 1.462 1.00 0.00 N ATOM 371 CA ALA A 26 -10.027 -0.739 2.079 1.00 0.00 C ATOM 372 C ALA A 26 -9.354 -1.759 2.991 1.00 0.00 C ATOM 373 O ALA A 26 -8.212 -2.155 2.757 1.00 0.00 O ATOM 374 CB ALA A 26 -10.373 0.520 2.858 1.00 0.00 C ATOM 0 H ALA A 26 -12.069 -0.746 1.609 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.326 -0.480 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.470 0.926 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.802 1.260 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.095 0.278 3.638 1.00 0.00 H new ATOM 380 N GLN A 27 -10.067 -2.180 4.030 1.00 0.00 N ATOM 381 CA GLN A 27 -9.537 -3.152 4.978 1.00 0.00 C ATOM 382 C GLN A 27 -10.274 -4.483 4.861 1.00 0.00 C ATOM 383 O GLN A 27 -11.173 -4.794 5.642 1.00 0.00 O ATOM 384 CB GLN A 27 -9.649 -2.618 6.407 1.00 0.00 C ATOM 385 CG GLN A 27 -11.014 -2.032 6.731 1.00 0.00 C ATOM 386 CD GLN A 27 -11.103 -0.552 6.416 1.00 0.00 C ATOM 387 OE1 GLN A 27 -12.038 -0.101 5.752 1.00 0.00 O ATOM 388 NE2 GLN A 27 -10.128 0.216 6.892 1.00 0.00 N ATOM 0 H GLN A 27 -11.014 -1.863 4.237 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.486 -3.316 4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.434 -3.426 7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.888 -1.853 6.561 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.778 -2.566 6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.231 -2.188 7.788 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.372 -0.199 7.437 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.136 1.220 6.712 1.00 0.00 H new ATOM 397 N PRO A 28 -9.884 -5.289 3.862 1.00 0.00 N ATOM 398 CA PRO A 28 -10.495 -6.601 3.621 1.00 0.00 C ATOM 399 C PRO A 28 -10.144 -7.613 4.706 1.00 0.00 C ATOM 400 O PRO A 28 -8.989 -7.723 5.116 1.00 0.00 O ATOM 401 CB PRO A 28 -9.897 -7.028 2.279 1.00 0.00 C ATOM 402 CG PRO A 28 -8.601 -6.296 2.191 1.00 0.00 C ATOM 403 CD PRO A 28 -8.818 -4.985 2.895 1.00 0.00 C ATOM 0 HA PRO A 28 -11.584 -6.550 3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.746 -8.107 2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.556 -6.767 1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.799 -6.864 2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.312 -6.138 1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.911 -4.641 3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.118 -4.201 2.200 1.00 0.00 H new ATOM 411 N SER A 29 -11.149 -8.350 5.168 1.00 0.00 N ATOM 412 CA SER A 29 -10.948 -9.352 6.209 1.00 0.00 C ATOM 413 C SER A 29 -9.972 -10.429 5.744 1.00 0.00 C ATOM 414 O SER A 29 -9.401 -10.338 4.658 1.00 0.00 O ATOM 415 CB SER A 29 -12.282 -9.990 6.597 1.00 0.00 C ATOM 416 OG SER A 29 -13.023 -10.365 5.447 1.00 0.00 O ATOM 0 H SER A 29 -12.111 -8.272 4.838 1.00 0.00 H new ATOM 0 HA SER A 29 -10.525 -8.854 7.081 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.102 -10.867 7.219 1.00 0.00 H new ATOM 0 HB3 SER A 29 -12.864 -9.289 7.195 1.00 0.00 H new ATOM 0 HG SER A 29 -13.871 -10.772 5.723 1.00 0.00 H new ATOM 422 N ALA A 30 -9.784 -11.447 6.577 1.00 0.00 N ATOM 423 CA ALA A 30 -8.879 -12.543 6.254 1.00 0.00 C ATOM 424 C ALA A 30 -9.408 -13.363 5.083 1.00 0.00 C ATOM 425 O ALA A 30 -8.742 -13.498 4.056 1.00 0.00 O ATOM 426 CB ALA A 30 -8.668 -13.430 7.471 1.00 0.00 C ATOM 0 H ALA A 30 -10.247 -11.536 7.482 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.920 -12.116 5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.990 -14.244 7.215 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.238 -12.841 8.281 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.625 -13.842 7.791 1.00 0.00 H new ATOM 432 N GLU A 31 -10.608 -13.910 5.245 1.00 0.00 N ATOM 433 CA GLU A 31 -11.225 -14.720 4.200 1.00 0.00 C ATOM 434 C GLU A 31 -11.011 -14.091 2.826 1.00 0.00 C ATOM 435 O GLU A 31 -10.803 -14.792 1.837 1.00 0.00 O ATOM 436 CB GLU A 31 -12.722 -14.886 4.470 1.00 0.00 C ATOM 437 CG GLU A 31 -13.030 -15.638 5.754 1.00 0.00 C ATOM 438 CD GLU A 31 -14.340 -15.208 6.382 1.00 0.00 C ATOM 439 OE1 GLU A 31 -15.402 -15.485 5.786 1.00 0.00 O ATOM 440 OE2 GLU A 31 -14.305 -14.594 7.469 1.00 0.00 O ATOM 0 H GLU A 31 -11.172 -13.808 6.088 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.751 -15.701 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.186 -13.901 4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.177 -15.414 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.065 -16.707 5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.221 -15.479 6.467 1.00 0.00 H new ATOM 447 N GLU A 32 -11.065 -12.763 2.775 1.00 0.00 N ATOM 448 CA GLU A 32 -10.878 -12.040 1.523 1.00 0.00 C ATOM 449 C GLU A 32 -9.395 -11.850 1.220 1.00 0.00 C ATOM 450 O GLU A 32 -8.930 -12.167 0.124 1.00 0.00 O ATOM 451 CB GLU A 32 -11.575 -10.678 1.587 1.00 0.00 C ATOM 452 CG GLU A 32 -13.018 -10.710 1.110 1.00 0.00 C ATOM 453 CD GLU A 32 -13.684 -9.349 1.176 1.00 0.00 C ATOM 454 OE1 GLU A 32 -14.167 -8.977 2.265 1.00 0.00 O ATOM 455 OE2 GLU A 32 -13.721 -8.657 0.137 1.00 0.00 O ATOM 0 H GLU A 32 -11.236 -12.167 3.585 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.322 -12.631 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.549 -10.314 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.017 -9.965 0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.050 -11.077 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.582 -11.417 1.718 1.00 0.00 H new ATOM 462 N LEU A 33 -8.660 -11.333 2.196 1.00 0.00 N ATOM 463 CA LEU A 33 -7.228 -11.100 2.034 1.00 0.00 C ATOM 464 C LEU A 33 -6.560 -12.281 1.335 1.00 0.00 C ATOM 465 O LEU A 33 -5.984 -12.131 0.258 1.00 0.00 O ATOM 466 CB LEU A 33 -6.573 -10.862 3.396 1.00 0.00 C ATOM 467 CG LEU A 33 -6.712 -9.452 3.970 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.641 -9.485 5.489 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.637 -8.537 3.404 1.00 0.00 C ATOM 0 H LEU A 33 -9.030 -11.067 3.108 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.097 -10.213 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.999 -11.567 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.512 -11.096 3.312 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.686 -9.057 3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.742 -8.473 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.448 -10.106 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.682 -9.900 5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.752 -7.538 3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.653 -8.928 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.735 -8.488 2.319 1.00 0.00 H new ATOM 481 N SER A 34 -6.644 -13.452 1.955 1.00 0.00 N ATOM 482 CA SER A 34 -6.046 -14.658 1.393 1.00 0.00 C ATOM 483 C SER A 34 -6.236 -14.704 -0.120 1.00 0.00 C ATOM 484 O SER A 34 -5.313 -15.041 -0.864 1.00 0.00 O ATOM 485 CB SER A 34 -6.662 -15.904 2.033 1.00 0.00 C ATOM 486 OG SER A 34 -6.338 -17.070 1.295 1.00 0.00 O ATOM 0 H SER A 34 -7.120 -13.593 2.846 1.00 0.00 H new ATOM 0 HA SER A 34 -4.978 -14.638 1.608 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.302 -16.006 3.057 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.745 -15.792 2.085 1.00 0.00 H new ATOM 0 HG SER A 34 -6.742 -17.852 1.725 1.00 0.00 H new ATOM 492 N LYS A 35 -7.438 -14.362 -0.570 1.00 0.00 N ATOM 493 CA LYS A 35 -7.752 -14.362 -1.994 1.00 0.00 C ATOM 494 C LYS A 35 -6.839 -13.403 -2.751 1.00 0.00 C ATOM 495 O LYS A 35 -6.062 -13.819 -3.612 1.00 0.00 O ATOM 496 CB LYS A 35 -9.215 -13.973 -2.215 1.00 0.00 C ATOM 497 CG LYS A 35 -9.820 -14.573 -3.472 1.00 0.00 C ATOM 498 CD LYS A 35 -10.077 -16.061 -3.311 1.00 0.00 C ATOM 499 CE LYS A 35 -10.586 -16.684 -4.602 1.00 0.00 C ATOM 500 NZ LYS A 35 -12.070 -16.619 -4.702 1.00 0.00 N ATOM 0 H LYS A 35 -8.212 -14.081 0.032 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.590 -15.369 -2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.801 -14.290 -1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.289 -12.887 -2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.755 -14.064 -3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.149 -14.408 -4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.157 -16.559 -3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.806 -16.221 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.142 -16.169 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.264 -17.724 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.377 -17.054 -5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.495 -17.132 -3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.376 -15.625 -4.677 1.00 0.00 H new ATOM 514 N ILE A 36 -6.937 -12.118 -2.424 1.00 0.00 N ATOM 515 CA ILE A 36 -6.117 -11.101 -3.073 1.00 0.00 C ATOM 516 C ILE A 36 -4.659 -11.541 -3.157 1.00 0.00 C ATOM 517 O ILE A 36 -4.001 -11.349 -4.180 1.00 0.00 O ATOM 518 CB ILE A 36 -6.194 -9.757 -2.326 1.00 0.00 C ATOM 519 CG1 ILE A 36 -7.629 -9.225 -2.333 1.00 0.00 C ATOM 520 CG2 ILE A 36 -5.247 -8.747 -2.956 1.00 0.00 C ATOM 521 CD1 ILE A 36 -8.477 -9.765 -1.203 1.00 0.00 C ATOM 0 H ILE A 36 -7.575 -11.757 -1.715 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.513 -10.971 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.891 -9.916 -1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.605 -8.137 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.098 -9.480 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.312 -7.802 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.226 -9.124 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.523 -8.590 -3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.481 -9.346 -1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.531 -10.851 -1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.031 -9.487 -0.248 1.00 0.00 H new ATOM 533 N ALA A 37 -4.162 -12.133 -2.077 1.00 0.00 N ATOM 534 CA ALA A 37 -2.784 -12.603 -2.028 1.00 0.00 C ATOM 535 C ALA A 37 -2.492 -13.564 -3.176 1.00 0.00 C ATOM 536 O ALA A 37 -1.614 -13.312 -4.002 1.00 0.00 O ATOM 537 CB ALA A 37 -2.500 -13.273 -0.692 1.00 0.00 C ATOM 0 H ALA A 37 -4.694 -12.299 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.128 -11.739 -2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.467 -13.619 -0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.660 -12.558 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.170 -14.123 -0.562 1.00 0.00 H new ATOM 543 N ASP A 38 -3.233 -14.666 -3.224 1.00 0.00 N ATOM 544 CA ASP A 38 -3.054 -15.664 -4.270 1.00 0.00 C ATOM 545 C ASP A 38 -2.892 -14.999 -5.633 1.00 0.00 C ATOM 546 O ASP A 38 -2.236 -15.538 -6.525 1.00 0.00 O ATOM 547 CB ASP A 38 -4.243 -16.626 -4.296 1.00 0.00 C ATOM 548 CG ASP A 38 -3.894 -17.960 -4.925 1.00 0.00 C ATOM 549 OD1 ASP A 38 -3.245 -17.963 -5.993 1.00 0.00 O ATOM 550 OD2 ASP A 38 -4.269 -19.003 -4.349 1.00 0.00 O ATOM 0 H ASP A 38 -3.964 -14.890 -2.549 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.147 -16.226 -4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.597 -16.789 -3.278 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.064 -16.170 -4.850 1.00 0.00 H new ATOM 555 N SER A 39 -3.496 -13.825 -5.789 1.00 0.00 N ATOM 556 CA SER A 39 -3.423 -13.087 -7.045 1.00 0.00 C ATOM 557 C SER A 39 -2.065 -12.409 -7.199 1.00 0.00 C ATOM 558 O SER A 39 -1.420 -12.514 -8.243 1.00 0.00 O ATOM 559 CB SER A 39 -4.538 -12.044 -7.114 1.00 0.00 C ATOM 560 OG SER A 39 -5.804 -12.631 -6.871 1.00 0.00 O ATOM 0 H SER A 39 -4.042 -13.364 -5.061 1.00 0.00 H new ATOM 0 HA SER A 39 -3.549 -13.797 -7.862 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.351 -11.259 -6.381 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.536 -11.570 -8.096 1.00 0.00 H new ATOM 0 HG SER A 39 -6.499 -11.942 -6.919 1.00 0.00 H new ATOM 566 N VAL A 40 -1.636 -11.714 -6.152 1.00 0.00 N ATOM 567 CA VAL A 40 -0.354 -11.018 -6.167 1.00 0.00 C ATOM 568 C VAL A 40 0.785 -11.955 -5.777 1.00 0.00 C ATOM 569 O VAL A 40 1.863 -11.507 -5.389 1.00 0.00 O ATOM 570 CB VAL A 40 -0.359 -9.809 -5.212 1.00 0.00 C ATOM 571 CG1 VAL A 40 -1.298 -8.728 -5.726 1.00 0.00 C ATOM 572 CG2 VAL A 40 -0.748 -10.242 -3.807 1.00 0.00 C ATOM 0 H VAL A 40 -2.158 -11.617 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.198 -10.665 -7.186 1.00 0.00 H new ATOM 0 HB VAL A 40 0.648 -9.394 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.289 -7.882 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.969 -8.399 -6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.310 -9.128 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.746 -9.376 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.745 -10.683 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.032 -10.978 -3.442 1.00 0.00 H new ATOM 582 N ASN A 41 0.536 -13.255 -5.884 1.00 0.00 N ATOM 583 CA ASN A 41 1.541 -14.256 -5.542 1.00 0.00 C ATOM 584 C ASN A 41 2.211 -13.922 -4.213 1.00 0.00 C ATOM 585 O ASN A 41 3.415 -14.123 -4.044 1.00 0.00 O ATOM 586 CB ASN A 41 2.593 -14.350 -6.648 1.00 0.00 C ATOM 587 CG ASN A 41 2.145 -15.228 -7.800 1.00 0.00 C ATOM 588 OD1 ASN A 41 1.021 -15.727 -7.814 1.00 0.00 O ATOM 589 ND2 ASN A 41 3.027 -15.419 -8.776 1.00 0.00 N ATOM 0 H ASN A 41 -0.352 -13.641 -6.204 1.00 0.00 H new ATOM 0 HA ASN A 41 1.040 -15.219 -5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.814 -13.350 -7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.519 -14.746 -6.232 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.782 -15.999 -9.578 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.949 -14.985 -8.723 1.00 0.00 H new ATOM 596 N LEU A 42 1.424 -13.412 -3.272 1.00 0.00 N ATOM 597 CA LEU A 42 1.941 -13.050 -1.957 1.00 0.00 C ATOM 598 C LEU A 42 1.115 -13.700 -0.850 1.00 0.00 C ATOM 599 O LEU A 42 -0.042 -14.072 -1.043 1.00 0.00 O ATOM 600 CB LEU A 42 1.938 -11.529 -1.786 1.00 0.00 C ATOM 601 CG LEU A 42 3.102 -10.779 -2.433 1.00 0.00 C ATOM 602 CD1 LEU A 42 2.891 -9.276 -2.333 1.00 0.00 C ATOM 603 CD2 LEU A 42 4.420 -11.179 -1.787 1.00 0.00 C ATOM 0 H LEU A 42 0.426 -13.240 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 42 2.965 -13.415 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.007 -11.139 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.934 -11.303 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 42 3.141 -11.050 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.730 -8.759 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.968 -9.003 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.824 -8.987 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.237 -10.635 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.392 -10.939 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.576 -12.250 -1.913 1.00 0.00 H new ATOM 615 N PRO A 43 1.722 -13.836 0.338 1.00 0.00 N ATOM 616 CA PRO A 43 1.060 -14.438 1.501 1.00 0.00 C ATOM 617 C PRO A 43 -0.049 -13.552 2.058 1.00 0.00 C ATOM 618 O PRO A 43 -0.319 -12.472 1.532 1.00 0.00 O ATOM 619 CB PRO A 43 2.194 -14.580 2.518 1.00 0.00 C ATOM 620 CG PRO A 43 3.183 -13.533 2.136 1.00 0.00 C ATOM 621 CD PRO A 43 3.101 -13.414 0.639 1.00 0.00 C ATOM 0 HA PRO A 43 0.572 -15.380 1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.833 -14.431 3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.637 -15.575 2.480 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.951 -12.583 2.617 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.188 -13.812 2.451 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.291 -12.394 0.306 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.833 -14.052 0.144 1.00 0.00 H new ATOM 629 N LEU A 44 -0.687 -14.016 3.126 1.00 0.00 N ATOM 630 CA LEU A 44 -1.769 -13.265 3.757 1.00 0.00 C ATOM 631 C LEU A 44 -1.218 -12.260 4.764 1.00 0.00 C ATOM 632 O LEU A 44 -1.862 -11.256 5.068 1.00 0.00 O ATOM 633 CB LEU A 44 -2.742 -14.219 4.451 1.00 0.00 C ATOM 634 CG LEU A 44 -3.620 -13.605 5.541 1.00 0.00 C ATOM 635 CD1 LEU A 44 -4.594 -12.605 4.939 1.00 0.00 C ATOM 636 CD2 LEU A 44 -4.370 -14.693 6.296 1.00 0.00 C ATOM 0 H LEU A 44 -0.475 -14.908 3.574 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.301 -12.718 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.391 -14.658 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.168 -15.035 4.891 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.977 -13.078 6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.211 -12.178 5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.038 -11.810 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.232 -13.110 4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.990 -14.238 7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.002 -15.247 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.655 -15.374 6.759 1.00 0.00 H new ATOM 648 N ASP A 45 -0.024 -12.536 5.275 1.00 0.00 N ATOM 649 CA ASP A 45 0.615 -11.655 6.246 1.00 0.00 C ATOM 650 C ASP A 45 1.146 -10.395 5.569 1.00 0.00 C ATOM 651 O ASP A 45 0.936 -9.283 6.053 1.00 0.00 O ATOM 652 CB ASP A 45 1.756 -12.385 6.957 1.00 0.00 C ATOM 653 CG ASP A 45 2.684 -13.090 5.988 1.00 0.00 C ATOM 654 OD1 ASP A 45 3.645 -12.448 5.514 1.00 0.00 O ATOM 655 OD2 ASP A 45 2.451 -14.283 5.701 1.00 0.00 O ATOM 0 H ASP A 45 0.522 -13.363 5.033 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.134 -11.363 6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.328 -11.670 7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.340 -13.114 7.653 1.00 0.00 H new ATOM 660 N VAL A 46 1.833 -10.578 4.446 1.00 0.00 N ATOM 661 CA VAL A 46 2.394 -9.455 3.702 1.00 0.00 C ATOM 662 C VAL A 46 1.298 -8.505 3.234 1.00 0.00 C ATOM 663 O VAL A 46 1.441 -7.285 3.319 1.00 0.00 O ATOM 664 CB VAL A 46 3.196 -9.938 2.479 1.00 0.00 C ATOM 665 CG1 VAL A 46 3.409 -8.797 1.496 1.00 0.00 C ATOM 666 CG2 VAL A 46 4.527 -10.531 2.916 1.00 0.00 C ATOM 0 H VAL A 46 2.015 -11.492 4.031 1.00 0.00 H new ATOM 0 HA VAL A 46 3.063 -8.927 4.381 1.00 0.00 H new ATOM 0 HB VAL A 46 2.624 -10.718 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.977 -9.157 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.443 -8.422 1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.960 -7.994 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.081 -10.867 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.107 -9.774 3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.348 -11.378 3.579 1.00 0.00 H new ATOM 676 N VAL A 47 0.202 -9.071 2.740 1.00 0.00 N ATOM 677 CA VAL A 47 -0.921 -8.273 2.258 1.00 0.00 C ATOM 678 C VAL A 47 -1.614 -7.551 3.407 1.00 0.00 C ATOM 679 O VAL A 47 -2.128 -6.445 3.240 1.00 0.00 O ATOM 680 CB VAL A 47 -1.953 -9.147 1.518 1.00 0.00 C ATOM 681 CG1 VAL A 47 -3.169 -8.320 1.130 1.00 0.00 C ATOM 682 CG2 VAL A 47 -1.323 -9.792 0.293 1.00 0.00 C ATOM 0 H VAL A 47 0.067 -10.079 2.663 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.513 -7.538 1.564 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.281 -9.941 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.888 -8.952 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.631 -7.909 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.861 -7.505 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.065 -10.405 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.966 -9.016 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.485 -10.418 0.601 1.00 0.00 H new ATOM 692 N LYS A 48 -1.623 -8.183 4.576 1.00 0.00 N ATOM 693 CA LYS A 48 -2.252 -7.600 5.756 1.00 0.00 C ATOM 694 C LYS A 48 -1.516 -6.337 6.196 1.00 0.00 C ATOM 695 O LYS A 48 -2.115 -5.269 6.318 1.00 0.00 O ATOM 696 CB LYS A 48 -2.272 -8.615 6.901 1.00 0.00 C ATOM 697 CG LYS A 48 -3.468 -9.552 6.861 1.00 0.00 C ATOM 698 CD LYS A 48 -3.331 -10.675 7.876 1.00 0.00 C ATOM 699 CE LYS A 48 -3.685 -10.204 9.278 1.00 0.00 C ATOM 700 NZ LYS A 48 -3.140 -11.114 10.323 1.00 0.00 N ATOM 0 H LYS A 48 -1.202 -9.099 4.732 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.276 -7.332 5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.357 -9.206 6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.272 -8.080 7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.379 -8.989 7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.567 -9.974 5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.981 -11.503 7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.309 -11.054 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.294 -9.198 9.433 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.769 -10.144 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.403 -10.758 11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.532 -12.068 10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.104 -11.152 10.244 1.00 0.00 H new ATOM 714 N LYS A 49 -0.216 -6.466 6.431 1.00 0.00 N ATOM 715 CA LYS A 49 0.602 -5.336 6.855 1.00 0.00 C ATOM 716 C LYS A 49 0.340 -4.117 5.977 1.00 0.00 C ATOM 717 O LYS A 49 -0.113 -3.078 6.461 1.00 0.00 O ATOM 718 CB LYS A 49 2.087 -5.706 6.804 1.00 0.00 C ATOM 719 CG LYS A 49 2.611 -6.301 8.100 1.00 0.00 C ATOM 720 CD LYS A 49 2.276 -7.778 8.210 1.00 0.00 C ATOM 721 CE LYS A 49 2.509 -8.298 9.621 1.00 0.00 C ATOM 722 NZ LYS A 49 3.926 -8.702 9.836 1.00 0.00 N ATOM 0 H LYS A 49 0.295 -7.343 6.335 1.00 0.00 H new ATOM 0 HA LYS A 49 0.332 -5.088 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.247 -6.419 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.667 -4.815 6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.691 -6.167 8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.182 -5.766 8.947 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.235 -7.938 7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.887 -8.344 7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.238 -7.527 10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.856 -9.151 9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.044 -9.050 10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.178 -9.456 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.548 -7.882 9.684 1.00 0.00 H new ATOM 736 N TRP A 50 0.627 -4.249 4.688 1.00 0.00 N ATOM 737 CA TRP A 50 0.421 -3.157 3.743 1.00 0.00 C ATOM 738 C TRP A 50 -0.852 -2.385 4.072 1.00 0.00 C ATOM 739 O TRP A 50 -0.805 -1.194 4.377 1.00 0.00 O ATOM 740 CB TRP A 50 0.349 -3.699 2.314 1.00 0.00 C ATOM 741 CG TRP A 50 0.250 -2.622 1.275 1.00 0.00 C ATOM 742 CD1 TRP A 50 1.281 -2.053 0.583 1.00 0.00 C ATOM 743 CD2 TRP A 50 -0.946 -1.985 0.813 1.00 0.00 C ATOM 744 NE1 TRP A 50 0.797 -1.101 -0.281 1.00 0.00 N ATOM 745 CE2 TRP A 50 -0.567 -1.041 -0.160 1.00 0.00 C ATOM 746 CE3 TRP A 50 -2.302 -2.121 1.127 1.00 0.00 C ATOM 747 CZ2 TRP A 50 -1.492 -0.239 -0.820 1.00 0.00 C ATOM 748 CZ3 TRP A 50 -3.220 -1.325 0.469 1.00 0.00 C ATOM 749 CH2 TRP A 50 -2.812 -0.392 -0.494 1.00 0.00 C ATOM 0 H TRP A 50 1.003 -5.101 4.272 1.00 0.00 H new ATOM 0 HA TRP A 50 1.268 -2.475 3.823 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.234 -4.304 2.117 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.514 -4.359 2.226 1.00 0.00 H new ATOM 0 HD1 TRP A 50 2.323 -2.313 0.698 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.361 -0.531 -0.911 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.626 -2.835 1.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.179 0.479 -1.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.270 -1.424 0.701 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -3.554 0.218 -0.988 1.00 0.00 H new ATOM 760 N PHE A 51 -1.987 -3.072 4.009 1.00 0.00 N ATOM 761 CA PHE A 51 -3.274 -2.450 4.300 1.00 0.00 C ATOM 762 C PHE A 51 -3.178 -1.552 5.530 1.00 0.00 C ATOM 763 O PHE A 51 -3.662 -0.420 5.524 1.00 0.00 O ATOM 764 CB PHE A 51 -4.344 -3.522 4.520 1.00 0.00 C ATOM 765 CG PHE A 51 -5.021 -3.961 3.253 1.00 0.00 C ATOM 766 CD1 PHE A 51 -5.694 -3.047 2.459 1.00 0.00 C ATOM 767 CD2 PHE A 51 -4.985 -5.289 2.858 1.00 0.00 C ATOM 768 CE1 PHE A 51 -6.317 -3.448 1.292 1.00 0.00 C ATOM 769 CE2 PHE A 51 -5.606 -5.696 1.692 1.00 0.00 C ATOM 770 CZ PHE A 51 -6.275 -4.775 0.909 1.00 0.00 C ATOM 0 H PHE A 51 -2.042 -4.059 3.759 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.555 -1.836 3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.886 -4.389 4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.095 -3.138 5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.732 -2.009 2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.466 -6.014 3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.836 -2.725 0.680 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.568 -6.733 1.393 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.764 -5.092 -0.000 1.00 0.00 H new ATOM 780 N GLU A 52 -2.550 -2.064 6.583 1.00 0.00 N ATOM 781 CA GLU A 52 -2.391 -1.310 7.820 1.00 0.00 C ATOM 782 C GLU A 52 -1.454 -0.122 7.616 1.00 0.00 C ATOM 783 O GLU A 52 -1.655 0.948 8.192 1.00 0.00 O ATOM 784 CB GLU A 52 -1.853 -2.214 8.931 1.00 0.00 C ATOM 785 CG GLU A 52 -2.901 -3.141 9.523 1.00 0.00 C ATOM 786 CD GLU A 52 -4.024 -2.388 10.209 1.00 0.00 C ATOM 787 OE1 GLU A 52 -3.732 -1.589 11.123 1.00 0.00 O ATOM 788 OE2 GLU A 52 -5.196 -2.598 9.831 1.00 0.00 O ATOM 0 H GLU A 52 -2.143 -2.999 6.604 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.371 -0.932 8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.033 -2.813 8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.440 -1.592 9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.317 -3.765 8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.426 -3.810 10.240 1.00 0.00 H new ATOM 795 N LYS A 53 -0.431 -0.318 6.793 1.00 0.00 N ATOM 796 CA LYS A 53 0.538 0.734 6.511 1.00 0.00 C ATOM 797 C LYS A 53 -0.136 1.929 5.846 1.00 0.00 C ATOM 798 O LYS A 53 -0.064 3.051 6.344 1.00 0.00 O ATOM 799 CB LYS A 53 1.656 0.199 5.614 1.00 0.00 C ATOM 800 CG LYS A 53 2.830 -0.381 6.384 1.00 0.00 C ATOM 801 CD LYS A 53 2.545 -1.800 6.847 1.00 0.00 C ATOM 802 CE LYS A 53 3.811 -2.500 7.313 1.00 0.00 C ATOM 803 NZ LYS A 53 4.544 -3.131 6.180 1.00 0.00 N ATOM 0 H LYS A 53 -0.251 -1.197 6.308 1.00 0.00 H new ATOM 0 HA LYS A 53 0.967 1.062 7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.247 -0.570 4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.015 1.006 4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.719 -0.374 5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.047 0.248 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.819 -1.779 7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.094 -2.366 6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.461 -1.781 7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.555 -3.262 8.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.042 -3.979 6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.869 -3.400 5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.234 -2.455 5.794 1.00 0.00 H new ATOM 817 N MET A 54 -0.792 1.680 4.717 1.00 0.00 N ATOM 818 CA MET A 54 -1.481 2.736 3.984 1.00 0.00 C ATOM 819 C MET A 54 -2.608 3.331 4.821 1.00 0.00 C ATOM 820 O MET A 54 -2.797 4.548 4.848 1.00 0.00 O ATOM 821 CB MET A 54 -2.041 2.192 2.668 1.00 0.00 C ATOM 822 CG MET A 54 -2.130 3.237 1.567 1.00 0.00 C ATOM 823 SD MET A 54 -2.653 2.540 -0.011 1.00 0.00 S ATOM 824 CE MET A 54 -4.334 2.051 0.375 1.00 0.00 C ATOM 0 H MET A 54 -0.861 0.756 4.290 1.00 0.00 H new ATOM 0 HA MET A 54 -0.759 3.523 3.765 1.00 0.00 H new ATOM 0 HB2 MET A 54 -1.412 1.370 2.327 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.034 1.780 2.848 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.832 4.016 1.866 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.158 3.714 1.445 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.839 1.733 -0.537 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.319 1.226 1.087 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.868 2.896 0.810 1.00 0.00 H new ATOM 834 N GLN A 55 -3.354 2.468 5.502 1.00 0.00 N ATOM 835 CA GLN A 55 -4.463 2.910 6.338 1.00 0.00 C ATOM 836 C GLN A 55 -3.979 3.868 7.422 1.00 0.00 C ATOM 837 O GLN A 55 -4.745 4.689 7.925 1.00 0.00 O ATOM 838 CB GLN A 55 -5.158 1.707 6.979 1.00 0.00 C ATOM 839 CG GLN A 55 -6.109 0.983 6.040 1.00 0.00 C ATOM 840 CD GLN A 55 -6.653 -0.301 6.635 1.00 0.00 C ATOM 841 OE1 GLN A 55 -7.273 -0.292 7.698 1.00 0.00 O ATOM 842 NE2 GLN A 55 -6.422 -1.415 5.950 1.00 0.00 N ATOM 0 H GLN A 55 -3.210 1.458 5.491 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.175 3.437 5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.401 1.005 7.329 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.712 2.042 7.856 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.939 1.643 5.790 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.591 0.756 5.108 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.903 -1.376 5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.763 -2.310 6.301 1.00 0.00 H new ATOM 851 N ALA A 56 -2.703 3.758 7.776 1.00 0.00 N ATOM 852 CA ALA A 56 -2.116 4.615 8.798 1.00 0.00 C ATOM 853 C ALA A 56 -1.612 5.922 8.195 1.00 0.00 C ATOM 854 O ALA A 56 -1.536 6.943 8.877 1.00 0.00 O ATOM 855 CB ALA A 56 -0.984 3.889 9.510 1.00 0.00 C ATOM 0 H ALA A 56 -2.055 3.083 7.369 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.892 4.856 9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.555 4.541 10.271 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.371 2.986 9.983 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.214 3.619 8.788 1.00 0.00 H new ATOM 861 N GLY A 57 -1.267 5.882 6.912 1.00 0.00 N ATOM 862 CA GLY A 57 -0.773 7.068 6.239 1.00 0.00 C ATOM 863 C GLY A 57 0.732 7.048 6.055 1.00 0.00 C ATOM 864 O GLY A 57 1.364 8.098 5.945 1.00 0.00 O ATOM 0 H GLY A 57 -1.321 5.049 6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.254 7.155 5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.054 7.951 6.813 1.00 0.00 H new ATOM 868 N GLN A 58 1.306 5.850 6.026 1.00 0.00 N ATOM 869 CA GLN A 58 2.746 5.696 5.856 1.00 0.00 C ATOM 870 C GLN A 58 3.116 5.616 4.379 1.00 0.00 C ATOM 871 O GLN A 58 4.051 6.276 3.927 1.00 0.00 O ATOM 872 CB GLN A 58 3.236 4.445 6.587 1.00 0.00 C ATOM 873 CG GLN A 58 3.639 4.703 8.031 1.00 0.00 C ATOM 874 CD GLN A 58 4.027 3.432 8.763 1.00 0.00 C ATOM 875 OE1 GLN A 58 5.210 3.167 8.985 1.00 0.00 O ATOM 876 NE2 GLN A 58 3.032 2.641 9.143 1.00 0.00 N ATOM 0 H GLN A 58 0.796 4.971 6.118 1.00 0.00 H new ATOM 0 HA GLN A 58 3.232 6.572 6.285 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.449 3.691 6.567 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.088 4.030 6.049 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.477 5.400 8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.812 5.182 8.555 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.067 2.901 8.938 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.232 1.773 9.641 1.00 0.00 H new ATOM 885 N ILE A 59 2.375 4.802 3.634 1.00 0.00 N ATOM 886 CA ILE A 59 2.627 4.634 2.208 1.00 0.00 C ATOM 887 C ILE A 59 2.190 5.869 1.424 1.00 0.00 C ATOM 888 O ILE A 59 1.000 6.081 1.193 1.00 0.00 O ATOM 889 CB ILE A 59 1.894 3.400 1.649 1.00 0.00 C ATOM 890 CG1 ILE A 59 2.347 2.136 2.380 1.00 0.00 C ATOM 891 CG2 ILE A 59 2.141 3.271 0.153 1.00 0.00 C ATOM 892 CD1 ILE A 59 1.503 0.920 2.065 1.00 0.00 C ATOM 0 H ILE A 59 1.597 4.250 3.994 1.00 0.00 H new ATOM 0 HA ILE A 59 3.701 4.493 2.091 1.00 0.00 H new ATOM 0 HB ILE A 59 0.824 3.526 1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.384 1.926 2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.321 2.318 3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.617 2.395 -0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.774 4.163 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.210 3.163 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.882 0.061 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.469 1.110 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.549 0.712 0.996 1.00 0.00 H new ATOM 904 N SER A 60 3.162 6.679 1.017 1.00 0.00 N ATOM 905 CA SER A 60 2.880 7.893 0.262 1.00 0.00 C ATOM 906 C SER A 60 3.225 7.709 -1.212 1.00 0.00 C ATOM 907 O SER A 60 4.203 7.044 -1.553 1.00 0.00 O ATOM 908 CB SER A 60 3.666 9.072 0.838 1.00 0.00 C ATOM 909 OG SER A 60 2.952 9.696 1.892 1.00 0.00 O ATOM 0 H SER A 60 4.152 6.516 1.198 1.00 0.00 H new ATOM 0 HA SER A 60 1.813 8.102 0.344 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.632 8.725 1.205 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.867 9.799 0.051 1.00 0.00 H new ATOM 0 HG SER A 60 3.477 10.445 2.244 1.00 0.00 H new ATOM 915 N VAL A 61 2.414 8.303 -2.082 1.00 0.00 N ATOM 916 CA VAL A 61 2.633 8.205 -3.520 1.00 0.00 C ATOM 917 C VAL A 61 3.835 9.038 -3.951 1.00 0.00 C ATOM 918 O VAL A 61 4.542 8.684 -4.894 1.00 0.00 O ATOM 919 CB VAL A 61 1.393 8.667 -4.309 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.658 8.601 -5.805 1.00 0.00 C ATOM 921 CG2 VAL A 61 0.181 7.826 -3.937 1.00 0.00 C ATOM 0 H VAL A 61 1.600 8.857 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 61 2.825 7.155 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 61 1.182 9.704 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.771 8.931 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.498 9.249 -6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.895 7.575 -6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.686 8.166 -4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.379 6.780 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.020 7.929 -2.871 1.00 0.00 H new ATOM 931 N GLN A 62 4.061 10.145 -3.252 1.00 0.00 N ATOM 932 CA GLN A 62 5.179 11.029 -3.562 1.00 0.00 C ATOM 933 C GLN A 62 6.449 10.568 -2.856 1.00 0.00 C ATOM 934 O GLN A 62 7.490 10.383 -3.487 1.00 0.00 O ATOM 935 CB GLN A 62 4.847 12.467 -3.156 1.00 0.00 C ATOM 936 CG GLN A 62 5.543 13.515 -4.010 1.00 0.00 C ATOM 937 CD GLN A 62 5.443 14.908 -3.419 1.00 0.00 C ATOM 938 OE1 GLN A 62 4.520 15.209 -2.662 1.00 0.00 O ATOM 939 NE2 GLN A 62 6.397 15.767 -3.763 1.00 0.00 N ATOM 0 H GLN A 62 3.486 10.451 -2.468 1.00 0.00 H new ATOM 0 HA GLN A 62 5.351 10.994 -4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 62 3.769 12.615 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.127 12.615 -2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.593 13.247 -4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.104 13.515 -5.008 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.143 15.475 -4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.383 16.719 -3.396 1.00 0.00 H new ATOM 948 N SER A 63 6.358 10.387 -1.542 1.00 0.00 N ATOM 949 CA SER A 63 7.502 9.951 -0.749 1.00 0.00 C ATOM 950 C SER A 63 7.808 8.478 -1.002 1.00 0.00 C ATOM 951 O SER A 63 6.935 7.621 -0.871 1.00 0.00 O ATOM 952 CB SER A 63 7.234 10.182 0.739 1.00 0.00 C ATOM 953 OG SER A 63 8.416 10.011 1.501 1.00 0.00 O ATOM 0 H SER A 63 5.504 10.535 -1.004 1.00 0.00 H new ATOM 0 HA SER A 63 8.369 10.540 -1.050 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.843 11.188 0.890 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.469 9.487 1.086 1.00 0.00 H new ATOM 0 HG SER A 63 8.220 10.166 2.449 1.00 0.00 H new ATOM 959 N SER A 64 9.055 8.193 -1.362 1.00 0.00 N ATOM 960 CA SER A 64 9.477 6.825 -1.636 1.00 0.00 C ATOM 961 C SER A 64 10.953 6.633 -1.295 1.00 0.00 C ATOM 962 O SER A 64 11.613 7.552 -0.816 1.00 0.00 O ATOM 963 CB SER A 64 9.231 6.476 -3.105 1.00 0.00 C ATOM 964 OG SER A 64 9.201 5.073 -3.298 1.00 0.00 O ATOM 0 H SER A 64 9.791 8.891 -1.471 1.00 0.00 H new ATOM 0 HA SER A 64 8.887 6.157 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.287 6.911 -3.432 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.015 6.914 -3.722 1.00 0.00 H new ATOM 0 HG SER A 64 9.041 4.876 -4.245 1.00 0.00 H new TER 970 SER A 64