USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 380 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 15 GLN : amide:sc= -0.41 K(o=-0.2,f=-3.5!) USER MOD Set 1.2: A 19 TYR OH : rot -79:sc= 0.209 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.73) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0895 USER MOD Single : A 12 SER OG : rot 180:sc=0.000773 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0173 X(o=-0.017,f=-0.38) USER MOD Single : A 21 ASN : amide:sc= -0.323 K(o=-0.32,f=-3.1!) USER MOD Single : B 1 PHE N :NH3+ 149:sc= -1.35! (180deg=-3.03!) USER MOD Single : B 3 ASN : amide:sc= 0.69 K(o=0.69,f=-0.69) USER MOD Single : B 4 GLN : amide:sc=-0.00337 X(o=-0.0034,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -7.11! C(o=-7.1!,f=-13!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -0.902 USER MOD Single : B 27 THR OG1 : rot 50:sc= -1.61! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0381 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.894 3.216 3.246 1.00 0.00 N ATOM 2 CA GLY A 1 -5.371 3.214 3.380 1.00 0.00 C ATOM 3 C GLY A 1 -4.578 2.142 2.713 1.00 0.00 C ATOM 4 O GLY A 1 -3.531 1.746 3.184 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.287 4.025 3.768 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.154 3.292 2.242 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.278 2.332 3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.009 4.171 3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.136 3.180 4.444 1.00 0.00 H new ATOM 10 N LEU A 2 -5.049 1.647 1.601 1.00 0.00 N ATOM 11 CA LEU A 2 -4.299 0.575 0.888 1.00 0.00 C ATOM 12 C LEU A 2 -3.431 1.201 -0.204 1.00 0.00 C ATOM 13 O LEU A 2 -2.221 1.095 -0.186 1.00 0.00 O ATOM 14 CB LEU A 2 -5.288 -0.407 0.254 1.00 0.00 C ATOM 15 CG LEU A 2 -4.545 -1.322 -0.721 1.00 0.00 C ATOM 16 CD1 LEU A 2 -3.609 -2.247 0.057 1.00 0.00 C ATOM 17 CD2 LEU A 2 -5.556 -2.164 -1.503 1.00 0.00 C ATOM 0 H LEU A 2 -5.919 1.938 1.156 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.664 0.043 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -5.774 -1.001 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.073 0.138 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.963 -0.715 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.080 -2.898 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.888 -1.650 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.191 -2.854 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.026 -2.816 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.139 -2.770 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.224 -1.507 -2.060 1.00 0.00 H new ATOM 29 N LEU A 3 -4.040 1.854 -1.155 1.00 0.00 N ATOM 30 CA LEU A 3 -3.247 2.488 -2.245 1.00 0.00 C ATOM 31 C LEU A 3 -3.189 4.000 -2.022 1.00 0.00 C ATOM 32 O LEU A 3 -2.509 4.714 -2.729 1.00 0.00 O ATOM 33 CB LEU A 3 -3.890 2.187 -3.606 1.00 0.00 C ATOM 34 CG LEU A 3 -5.405 2.409 -3.541 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.701 3.880 -3.240 1.00 0.00 C ATOM 36 CD2 LEU A 3 -6.025 2.036 -4.889 1.00 0.00 C ATOM 0 H LEU A 3 -5.050 1.976 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.236 2.082 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.454 2.829 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.679 1.158 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.828 1.787 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.779 4.032 -3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.256 4.152 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.279 4.505 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.103 2.192 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.597 2.662 -5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.818 0.988 -5.107 1.00 0.00 H new ATOM 48 N GLU A 4 -3.896 4.492 -1.042 1.00 0.00 N ATOM 49 CA GLU A 4 -3.876 5.955 -0.772 1.00 0.00 C ATOM 50 C GLU A 4 -2.470 6.370 -0.336 1.00 0.00 C ATOM 51 O GLU A 4 -1.964 7.400 -0.735 1.00 0.00 O ATOM 52 CB GLU A 4 -4.873 6.279 0.343 1.00 0.00 C ATOM 53 CG GLU A 4 -6.115 6.940 -0.257 1.00 0.00 C ATOM 54 CD GLU A 4 -5.894 8.452 -0.346 1.00 0.00 C ATOM 55 OE1 GLU A 4 -5.199 8.877 -1.254 1.00 0.00 O ATOM 56 OE2 GLU A 4 -6.425 9.159 0.494 1.00 0.00 O ATOM 0 H GLU A 4 -4.486 3.943 -0.417 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.152 6.498 -1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.153 5.367 0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.413 6.943 1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.315 6.532 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.988 6.725 0.359 1.00 0.00 H new ATOM 63 N GLN A 5 -1.834 5.574 0.481 1.00 0.00 N ATOM 64 CA GLN A 5 -0.461 5.922 0.942 1.00 0.00 C ATOM 65 C GLN A 5 0.531 5.690 -0.197 1.00 0.00 C ATOM 66 O GLN A 5 1.575 6.308 -0.263 1.00 0.00 O ATOM 67 CB GLN A 5 -0.083 5.041 2.134 1.00 0.00 C ATOM 68 CG GLN A 5 0.800 5.835 3.098 1.00 0.00 C ATOM 69 CD GLN A 5 0.602 5.311 4.522 1.00 0.00 C ATOM 70 OE1 GLN A 5 1.446 4.612 5.047 1.00 0.00 O ATOM 71 NE2 GLN A 5 -0.486 5.622 5.173 1.00 0.00 N ATOM 0 H GLN A 5 -2.207 4.698 0.848 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.433 6.969 1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.982 4.699 2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.445 4.152 1.789 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.847 5.744 2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.547 6.894 3.051 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.194 6.209 4.732 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.628 5.278 6.123 1.00 0.00 H new ATOM 80 N CYS A 6 0.207 4.807 -1.096 1.00 0.00 N ATOM 81 CA CYS A 6 1.122 4.533 -2.238 1.00 0.00 C ATOM 82 C CYS A 6 0.734 5.422 -3.418 1.00 0.00 C ATOM 83 O CYS A 6 1.542 5.728 -4.272 1.00 0.00 O ATOM 84 CB CYS A 6 1.009 3.063 -2.644 1.00 0.00 C ATOM 85 SG CYS A 6 1.342 2.010 -1.209 1.00 0.00 S ATOM 0 H CYS A 6 -0.654 4.261 -1.090 1.00 0.00 H new ATOM 0 HA CYS A 6 2.149 4.746 -1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.012 2.859 -3.034 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.716 2.840 -3.443 1.00 0.00 H new ATOM 90 N CYS A 7 -0.501 5.840 -3.465 1.00 0.00 N ATOM 91 CA CYS A 7 -0.959 6.716 -4.580 1.00 0.00 C ATOM 92 C CYS A 7 -0.900 8.172 -4.120 1.00 0.00 C ATOM 93 O CYS A 7 -0.498 9.054 -4.855 1.00 0.00 O ATOM 94 CB CYS A 7 -2.401 6.357 -4.947 1.00 0.00 C ATOM 95 SG CYS A 7 -2.718 6.809 -6.670 1.00 0.00 S ATOM 0 H CYS A 7 -1.216 5.611 -2.775 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.318 6.576 -5.450 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.569 5.290 -4.804 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.095 6.880 -4.289 1.00 0.00 H new ATOM 100 N HIS A 8 -1.294 8.431 -2.903 1.00 0.00 N ATOM 101 CA HIS A 8 -1.260 9.825 -2.383 1.00 0.00 C ATOM 102 C HIS A 8 0.079 10.072 -1.683 1.00 0.00 C ATOM 103 O HIS A 8 0.317 11.130 -1.133 1.00 0.00 O ATOM 104 CB HIS A 8 -2.405 10.021 -1.387 1.00 0.00 C ATOM 105 CG HIS A 8 -2.552 11.485 -1.072 1.00 0.00 C ATOM 106 ND1 HIS A 8 -2.285 12.455 -2.015 1.00 0.00 N ATOM 107 CD2 HIS A 8 -2.939 12.124 0.075 1.00 0.00 C ATOM 108 CE1 HIS A 8 -2.513 13.637 -1.425 1.00 0.00 C ATOM 109 NE2 HIS A 8 -2.915 13.485 -0.147 1.00 0.00 N ATOM 0 H HIS A 8 -1.639 7.733 -2.244 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.372 10.529 -3.208 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -3.334 9.633 -1.804 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -2.207 9.460 -0.474 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.217 11.642 1.001 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.390 14.593 -1.913 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.152 14.222 0.517 1.00 0.00 H new ATOM 117 N SER A 9 0.956 9.104 -1.699 1.00 0.00 N ATOM 118 CA SER A 9 2.278 9.282 -1.036 1.00 0.00 C ATOM 119 C SER A 9 3.188 8.106 -1.399 1.00 0.00 C ATOM 120 O SER A 9 3.093 7.544 -2.473 1.00 0.00 O ATOM 121 CB SER A 9 2.086 9.327 0.480 1.00 0.00 C ATOM 122 OG SER A 9 3.185 10.009 1.072 1.00 0.00 O ATOM 0 H SER A 9 0.813 8.197 -2.143 1.00 0.00 H new ATOM 0 HA SER A 9 2.732 10.214 -1.372 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.153 9.835 0.725 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.013 8.315 0.879 1.00 0.00 H new ATOM 0 HG SER A 9 3.065 10.041 2.044 1.00 0.00 H new ATOM 128 N ILE A 10 4.068 7.727 -0.513 1.00 0.00 N ATOM 129 CA ILE A 10 4.979 6.586 -0.808 1.00 0.00 C ATOM 130 C ILE A 10 4.794 5.505 0.258 1.00 0.00 C ATOM 131 O ILE A 10 4.363 5.777 1.360 1.00 0.00 O ATOM 132 CB ILE A 10 6.430 7.073 -0.793 1.00 0.00 C ATOM 133 CG1 ILE A 10 6.689 7.937 -2.030 1.00 0.00 C ATOM 134 CG2 ILE A 10 7.373 5.869 -0.807 1.00 0.00 C ATOM 135 CD1 ILE A 10 6.292 9.384 -1.733 1.00 0.00 C ATOM 0 H ILE A 10 4.195 8.159 0.402 1.00 0.00 H new ATOM 0 HA ILE A 10 4.745 6.176 -1.791 1.00 0.00 H new ATOM 0 HB ILE A 10 6.607 7.662 0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.742 7.887 -2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.118 7.558 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.406 6.216 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.188 5.252 0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.197 5.280 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.476 10.000 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.234 9.425 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.883 9.759 -0.898 1.00 0.00 H new ATOM 147 N CYS A 11 5.113 4.280 -0.059 1.00 0.00 N ATOM 148 CA CYS A 11 4.948 3.190 0.944 1.00 0.00 C ATOM 149 C CYS A 11 6.050 2.144 0.756 1.00 0.00 C ATOM 150 O CYS A 11 6.821 2.200 -0.182 1.00 0.00 O ATOM 151 CB CYS A 11 3.580 2.530 0.759 1.00 0.00 C ATOM 152 SG CYS A 11 3.348 2.099 -0.984 1.00 0.00 S ATOM 0 H CYS A 11 5.479 3.988 -0.965 1.00 0.00 H new ATOM 0 HA CYS A 11 5.018 3.610 1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.509 1.636 1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.791 3.207 1.085 1.00 0.00 H new ATOM 157 N SER A 12 6.129 1.190 1.643 1.00 0.00 N ATOM 158 CA SER A 12 7.178 0.139 1.519 1.00 0.00 C ATOM 159 C SER A 12 6.511 -1.232 1.386 1.00 0.00 C ATOM 160 O SER A 12 5.524 -1.519 2.033 1.00 0.00 O ATOM 161 CB SER A 12 8.068 0.156 2.762 1.00 0.00 C ATOM 162 OG SER A 12 7.362 0.765 3.837 1.00 0.00 O ATOM 0 H SER A 12 5.512 1.093 2.449 1.00 0.00 H new ATOM 0 HA SER A 12 7.786 0.335 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.357 -0.860 3.031 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.987 0.705 2.558 1.00 0.00 H new ATOM 0 HG SER A 12 7.929 0.776 4.636 1.00 0.00 H new ATOM 168 N LEU A 13 7.042 -2.082 0.548 1.00 0.00 N ATOM 169 CA LEU A 13 6.445 -3.429 0.365 1.00 0.00 C ATOM 170 C LEU A 13 6.208 -4.089 1.729 1.00 0.00 C ATOM 171 O LEU A 13 5.415 -5.002 1.856 1.00 0.00 O ATOM 172 CB LEU A 13 7.395 -4.281 -0.487 1.00 0.00 C ATOM 173 CG LEU A 13 8.473 -4.931 0.390 1.00 0.00 C ATOM 174 CD1 LEU A 13 9.304 -5.896 -0.457 1.00 0.00 C ATOM 175 CD2 LEU A 13 9.387 -3.847 0.966 1.00 0.00 C ATOM 0 H LEU A 13 7.869 -1.896 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 13 5.484 -3.342 -0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.830 -5.053 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.865 -3.659 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 13 7.997 -5.476 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.070 -6.359 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.656 -6.669 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.779 -5.349 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.152 -4.310 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.863 -3.302 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.797 -3.156 1.569 1.00 0.00 H new ATOM 187 N TYR A 14 6.890 -3.642 2.747 1.00 0.00 N ATOM 188 CA TYR A 14 6.703 -4.250 4.095 1.00 0.00 C ATOM 189 C TYR A 14 5.233 -4.164 4.500 1.00 0.00 C ATOM 190 O TYR A 14 4.557 -5.162 4.652 1.00 0.00 O ATOM 191 CB TYR A 14 7.556 -3.499 5.117 1.00 0.00 C ATOM 192 CG TYR A 14 7.227 -3.994 6.505 1.00 0.00 C ATOM 193 CD1 TYR A 14 6.145 -3.447 7.206 1.00 0.00 C ATOM 194 CD2 TYR A 14 8.004 -5.003 7.091 1.00 0.00 C ATOM 195 CE1 TYR A 14 5.839 -3.908 8.493 1.00 0.00 C ATOM 196 CE2 TYR A 14 7.699 -5.463 8.378 1.00 0.00 C ATOM 197 CZ TYR A 14 6.615 -4.915 9.078 1.00 0.00 C ATOM 198 OH TYR A 14 6.314 -5.369 10.347 1.00 0.00 O ATOM 0 H TYR A 14 7.569 -2.882 2.704 1.00 0.00 H new ATOM 0 HA TYR A 14 7.008 -5.296 4.063 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.614 -3.651 4.906 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.368 -2.428 5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.546 -2.670 6.754 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.838 -5.426 6.550 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.004 -3.486 9.034 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.298 -6.239 8.831 1.00 0.00 H new ATOM 0 HH TYR A 14 6.950 -6.070 10.603 1.00 0.00 H new ATOM 208 N GLN A 15 4.739 -2.978 4.679 1.00 0.00 N ATOM 209 CA GLN A 15 3.312 -2.811 5.081 1.00 0.00 C ATOM 210 C GLN A 15 2.403 -3.279 3.945 1.00 0.00 C ATOM 211 O GLN A 15 1.243 -3.580 4.149 1.00 0.00 O ATOM 212 CB GLN A 15 3.033 -1.338 5.384 1.00 0.00 C ATOM 213 CG GLN A 15 1.648 -1.200 6.021 1.00 0.00 C ATOM 214 CD GLN A 15 0.973 0.071 5.505 1.00 0.00 C ATOM 215 OE1 GLN A 15 1.486 0.733 4.626 1.00 0.00 O ATOM 216 NE2 GLN A 15 -0.167 0.444 6.021 1.00 0.00 N ATOM 0 H GLN A 15 5.261 -2.109 4.565 1.00 0.00 H new ATOM 0 HA GLN A 15 3.116 -3.407 5.972 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.795 -0.944 6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.083 -0.751 4.467 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.038 -2.071 5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.738 -1.162 7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.599 -0.112 6.759 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.626 1.291 5.686 1.00 0.00 H new ATOM 225 N LEU A 16 2.920 -3.348 2.753 1.00 0.00 N ATOM 226 CA LEU A 16 2.085 -3.798 1.607 1.00 0.00 C ATOM 227 C LEU A 16 1.954 -5.317 1.658 1.00 0.00 C ATOM 228 O LEU A 16 1.016 -5.889 1.136 1.00 0.00 O ATOM 229 CB LEU A 16 2.748 -3.386 0.293 1.00 0.00 C ATOM 230 CG LEU A 16 1.924 -3.919 -0.878 1.00 0.00 C ATOM 231 CD1 LEU A 16 1.398 -2.749 -1.713 1.00 0.00 C ATOM 232 CD2 LEU A 16 2.804 -4.815 -1.753 1.00 0.00 C ATOM 0 H LEU A 16 3.885 -3.112 2.522 1.00 0.00 H new ATOM 0 HA LEU A 16 1.099 -3.338 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.823 -2.300 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.764 -3.779 0.246 1.00 0.00 H new ATOM 0 HG LEU A 16 1.082 -4.496 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.811 -3.132 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.771 -2.111 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.238 -2.169 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.218 -5.196 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.646 -4.237 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.176 -5.651 -1.160 1.00 0.00 H new ATOM 244 N GLU A 17 2.886 -5.977 2.287 1.00 0.00 N ATOM 245 CA GLU A 17 2.813 -7.458 2.375 1.00 0.00 C ATOM 246 C GLU A 17 1.641 -7.856 3.275 1.00 0.00 C ATOM 247 O GLU A 17 1.302 -9.016 3.391 1.00 0.00 O ATOM 248 CB GLU A 17 4.118 -8.001 2.963 1.00 0.00 C ATOM 249 CG GLU A 17 4.281 -9.473 2.576 1.00 0.00 C ATOM 250 CD GLU A 17 4.257 -10.337 3.838 1.00 0.00 C ATOM 251 OE1 GLU A 17 5.304 -10.497 4.443 1.00 0.00 O ATOM 252 OE2 GLU A 17 3.191 -10.825 4.178 1.00 0.00 O ATOM 0 H GLU A 17 3.694 -5.553 2.743 1.00 0.00 H new ATOM 0 HA GLU A 17 2.665 -7.875 1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.964 -7.421 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.110 -7.898 4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.480 -9.774 1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.220 -9.618 2.041 1.00 0.00 H new ATOM 259 N ASN A 18 1.019 -6.901 3.915 1.00 0.00 N ATOM 260 CA ASN A 18 -0.130 -7.230 4.807 1.00 0.00 C ATOM 261 C ASN A 18 -1.419 -7.286 3.986 1.00 0.00 C ATOM 262 O ASN A 18 -2.430 -7.786 4.436 1.00 0.00 O ATOM 263 CB ASN A 18 -0.263 -6.160 5.890 1.00 0.00 C ATOM 264 CG ASN A 18 -1.164 -6.681 7.011 1.00 0.00 C ATOM 265 OD1 ASN A 18 -2.373 -6.590 6.926 1.00 0.00 O ATOM 266 ND2 ASN A 18 -0.624 -7.231 8.064 1.00 0.00 N ATOM 0 H ASN A 18 1.256 -5.911 3.859 1.00 0.00 H new ATOM 0 HA ASN A 18 0.045 -8.199 5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.719 -5.905 6.287 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.682 -5.248 5.466 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.217 -7.584 8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.391 -7.308 8.136 1.00 0.00 H new ATOM 273 N TYR A 19 -1.392 -6.779 2.784 1.00 0.00 N ATOM 274 CA TYR A 19 -2.607 -6.801 1.937 1.00 0.00 C ATOM 275 C TYR A 19 -2.678 -8.132 1.187 1.00 0.00 C ATOM 276 O TYR A 19 -3.431 -8.287 0.246 1.00 0.00 O ATOM 277 CB TYR A 19 -2.523 -5.647 0.946 1.00 0.00 C ATOM 278 CG TYR A 19 -2.507 -4.341 1.702 1.00 0.00 C ATOM 279 CD1 TYR A 19 -3.549 -4.033 2.589 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.450 -3.439 1.523 1.00 0.00 C ATOM 281 CE1 TYR A 19 -3.533 -2.824 3.296 1.00 0.00 C ATOM 282 CE2 TYR A 19 -1.435 -2.228 2.230 1.00 0.00 C ATOM 283 CZ TYR A 19 -2.476 -1.921 3.117 1.00 0.00 C ATOM 284 OH TYR A 19 -2.460 -0.730 3.813 1.00 0.00 O ATOM 0 H TYR A 19 -0.573 -6.349 2.354 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.501 -6.695 2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.623 -5.739 0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.373 -5.675 0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.364 -4.728 2.727 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.647 -3.676 0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.335 -2.587 3.979 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.621 -1.532 2.091 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.066 -0.091 3.382 1.00 0.00 H new ATOM 294 N CYS A 20 -1.898 -9.094 1.598 1.00 0.00 N ATOM 295 CA CYS A 20 -1.914 -10.417 0.915 1.00 0.00 C ATOM 296 C CYS A 20 -2.709 -11.413 1.762 1.00 0.00 C ATOM 297 O CYS A 20 -2.672 -11.378 2.977 1.00 0.00 O ATOM 298 CB CYS A 20 -0.476 -10.915 0.747 1.00 0.00 C ATOM 299 SG CYS A 20 -0.483 -12.654 0.242 1.00 0.00 S ATOM 0 H CYS A 20 -1.248 -9.020 2.381 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.381 -10.322 -0.065 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.042 -10.312 0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.070 -10.801 1.684 1.00 0.00 H new ATOM 304 N ASN A 21 -3.425 -12.304 1.132 1.00 0.00 N ATOM 305 CA ASN A 21 -4.219 -13.301 1.903 1.00 0.00 C ATOM 306 C ASN A 21 -3.272 -14.294 2.578 1.00 0.00 C ATOM 307 O ASN A 21 -2.859 -14.024 3.693 1.00 0.00 O ATOM 308 CB ASN A 21 -5.153 -14.054 0.952 1.00 0.00 C ATOM 309 CG ASN A 21 -6.444 -14.415 1.687 1.00 0.00 C ATOM 310 OD1 ASN A 21 -6.747 -13.855 2.721 1.00 0.00 O ATOM 311 ND2 ASN A 21 -7.225 -15.337 1.193 1.00 0.00 N ATOM 312 OXT ASN A 21 -2.975 -15.309 1.968 1.00 0.00 O ATOM 0 H ASN A 21 -3.494 -12.384 0.118 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.809 -12.787 2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.377 -13.438 0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.665 -14.957 0.586 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.088 -15.586 1.675 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.972 -15.808 0.325 1.00 0.00 H new TER 319 ASN A 21 ATOM 320 N PHE B 1 11.716 -2.673 -1.045 1.00 0.00 N ATOM 321 CA PHE B 1 11.995 -1.497 -1.917 1.00 0.00 C ATOM 322 C PHE B 1 12.469 -0.324 -1.057 1.00 0.00 C ATOM 323 O PHE B 1 12.966 -0.504 0.038 1.00 0.00 O ATOM 324 CB PHE B 1 10.719 -1.096 -2.659 1.00 0.00 C ATOM 325 CG PHE B 1 10.149 -2.297 -3.374 1.00 0.00 C ATOM 326 CD1 PHE B 1 10.964 -3.058 -4.223 1.00 0.00 C ATOM 327 CD2 PHE B 1 8.806 -2.650 -3.191 1.00 0.00 C ATOM 328 CE1 PHE B 1 10.435 -4.171 -4.888 1.00 0.00 C ATOM 329 CE2 PHE B 1 8.277 -3.763 -3.855 1.00 0.00 C ATOM 330 CZ PHE B 1 9.092 -4.524 -4.705 1.00 0.00 C ATOM 0 H1 PHE B 1 10.953 -3.242 -1.463 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.574 -3.254 -0.961 1.00 0.00 H new ATOM 0 H3 PHE B 1 11.426 -2.345 -0.102 1.00 0.00 H new ATOM 0 HA PHE B 1 12.770 -1.758 -2.638 1.00 0.00 H new ATOM 0 HB2 PHE B 1 9.987 -0.698 -1.956 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.937 -0.304 -3.375 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.000 -2.786 -4.364 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.178 -2.063 -2.537 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.063 -4.758 -5.542 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.242 -4.035 -3.713 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.684 -5.382 -5.219 1.00 0.00 H new ATOM 342 N VAL B 2 12.315 0.877 -1.543 1.00 0.00 N ATOM 343 CA VAL B 2 12.752 2.064 -0.755 1.00 0.00 C ATOM 344 C VAL B 2 11.666 3.141 -0.820 1.00 0.00 C ATOM 345 O VAL B 2 10.718 3.125 -0.062 1.00 0.00 O ATOM 346 CB VAL B 2 14.061 2.611 -1.331 1.00 0.00 C ATOM 347 CG1 VAL B 2 15.246 1.895 -0.681 1.00 0.00 C ATOM 348 CG2 VAL B 2 14.092 2.374 -2.844 1.00 0.00 C ATOM 0 H VAL B 2 11.905 1.088 -2.453 1.00 0.00 H new ATOM 0 HA VAL B 2 12.914 1.774 0.283 1.00 0.00 H new ATOM 0 HB VAL B 2 14.126 3.680 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL B 2 16.177 2.285 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL B 2 15.226 2.063 0.396 1.00 0.00 H new ATOM 0 HG13 VAL B 2 15.180 0.826 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL B 2 15.024 2.763 -3.254 1.00 0.00 H new ATOM 0 HG22 VAL B 2 14.025 1.305 -3.046 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.249 2.885 -3.310 1.00 0.00 H new ATOM 358 N ASN B 3 11.796 4.073 -1.721 1.00 0.00 N ATOM 359 CA ASN B 3 10.769 5.147 -1.836 1.00 0.00 C ATOM 360 C ASN B 3 10.112 5.076 -3.215 1.00 0.00 C ATOM 361 O ASN B 3 10.684 5.485 -4.207 1.00 0.00 O ATOM 362 CB ASN B 3 11.437 6.513 -1.655 1.00 0.00 C ATOM 363 CG ASN B 3 12.851 6.473 -2.238 1.00 0.00 C ATOM 364 OD1 ASN B 3 13.821 6.583 -1.515 1.00 0.00 O ATOM 365 ND2 ASN B 3 13.010 6.318 -3.523 1.00 0.00 N ATOM 0 H ASN B 3 12.569 4.138 -2.383 1.00 0.00 H new ATOM 0 HA ASN B 3 10.010 5.011 -1.065 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.850 7.285 -2.152 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.476 6.773 -0.597 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.949 6.289 -3.921 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.196 6.226 -4.130 1.00 0.00 H new ATOM 372 N GLN B 4 8.916 4.559 -3.288 1.00 0.00 N ATOM 373 CA GLN B 4 8.225 4.463 -4.606 1.00 0.00 C ATOM 374 C GLN B 4 6.715 4.613 -4.407 1.00 0.00 C ATOM 375 O GLN B 4 6.139 4.053 -3.495 1.00 0.00 O ATOM 376 CB GLN B 4 8.522 3.101 -5.237 1.00 0.00 C ATOM 377 CG GLN B 4 8.515 3.233 -6.762 1.00 0.00 C ATOM 378 CD GLN B 4 9.766 2.566 -7.337 1.00 0.00 C ATOM 379 OE1 GLN B 4 9.678 1.544 -7.989 1.00 0.00 O ATOM 380 NE2 GLN B 4 10.935 3.105 -7.124 1.00 0.00 N ATOM 0 H GLN B 4 8.388 4.199 -2.493 1.00 0.00 H new ATOM 0 HA GLN B 4 8.584 5.256 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.491 2.734 -4.897 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.776 2.371 -4.921 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.620 2.767 -7.174 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.487 4.285 -7.047 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.009 3.963 -6.577 1.00 0.00 H new ATOM 0 HE22 GLN B 4 11.775 2.669 -7.505 1.00 0.00 H new ATOM 389 N HIS B 5 6.071 5.369 -5.255 1.00 0.00 N ATOM 390 CA HIS B 5 4.608 5.565 -5.125 1.00 0.00 C ATOM 391 C HIS B 5 3.867 4.441 -5.856 1.00 0.00 C ATOM 392 O HIS B 5 3.895 4.351 -7.067 1.00 0.00 O ATOM 393 CB HIS B 5 4.243 6.907 -5.752 1.00 0.00 C ATOM 394 CG HIS B 5 5.284 7.932 -5.391 1.00 0.00 C ATOM 395 ND1 HIS B 5 6.599 7.791 -5.781 1.00 0.00 N ATOM 396 CD2 HIS B 5 5.189 9.098 -4.681 1.00 0.00 C ATOM 397 CE1 HIS B 5 7.256 8.858 -5.305 1.00 0.00 C ATOM 398 NE2 HIS B 5 6.435 9.685 -4.625 1.00 0.00 N ATOM 0 H HIS B 5 6.504 5.861 -6.037 1.00 0.00 H new ATOM 0 HA HIS B 5 4.323 5.550 -4.073 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.176 6.808 -6.835 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.263 7.230 -5.400 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.287 9.493 -4.238 1.00 0.00 H new ATOM 0 HE1 HIS B 5 8.312 9.034 -5.448 1.00 0.00 H new ATOM 0 HE2 HIS B 5 6.684 10.561 -4.166 1.00 0.00 H new ATOM 406 N LEU B 6 3.196 3.589 -5.129 1.00 0.00 N ATOM 407 CA LEU B 6 2.446 2.478 -5.780 1.00 0.00 C ATOM 408 C LEU B 6 0.984 2.896 -5.970 1.00 0.00 C ATOM 409 O LEU B 6 0.386 3.499 -5.101 1.00 0.00 O ATOM 410 CB LEU B 6 2.517 1.226 -4.901 1.00 0.00 C ATOM 411 CG LEU B 6 3.565 0.270 -5.461 1.00 0.00 C ATOM 412 CD1 LEU B 6 3.139 -0.187 -6.855 1.00 0.00 C ATOM 413 CD2 LEU B 6 4.910 0.992 -5.548 1.00 0.00 C ATOM 0 H LEU B 6 3.135 3.615 -4.111 1.00 0.00 H new ATOM 0 HA LEU B 6 2.889 2.258 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.771 1.501 -3.877 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.544 0.736 -4.868 1.00 0.00 H new ATOM 0 HG LEU B 6 3.659 -0.598 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.886 -0.871 -7.258 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.177 -0.696 -6.793 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.049 0.679 -7.510 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.663 0.312 -5.948 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.817 1.857 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.211 1.322 -4.554 1.00 0.00 H new ATOM 425 N CYS B 7 0.405 2.590 -7.100 1.00 0.00 N ATOM 426 CA CYS B 7 -1.014 2.983 -7.336 1.00 0.00 C ATOM 427 C CYS B 7 -1.587 2.190 -8.513 1.00 0.00 C ATOM 428 O CYS B 7 -0.886 1.848 -9.445 1.00 0.00 O ATOM 429 CB CYS B 7 -1.074 4.478 -7.655 1.00 0.00 C ATOM 430 SG CYS B 7 -2.794 5.037 -7.635 1.00 0.00 S ATOM 0 H CYS B 7 0.851 2.087 -7.867 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.601 2.770 -6.442 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.491 5.039 -6.925 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.631 4.669 -8.632 1.00 0.00 H new ATOM 435 N GLY B 8 -2.861 1.902 -8.480 1.00 0.00 N ATOM 436 CA GLY B 8 -3.486 1.138 -9.598 1.00 0.00 C ATOM 437 C GLY B 8 -3.040 -0.325 -9.540 1.00 0.00 C ATOM 438 O GLY B 8 -2.666 -0.829 -8.500 1.00 0.00 O ATOM 0 H GLY B 8 -3.496 2.163 -7.726 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.572 1.199 -9.530 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.201 1.577 -10.554 1.00 0.00 H new ATOM 442 N SER B 9 -3.075 -1.008 -10.652 1.00 0.00 N ATOM 443 CA SER B 9 -2.654 -2.438 -10.667 1.00 0.00 C ATOM 444 C SER B 9 -1.216 -2.553 -10.161 1.00 0.00 C ATOM 445 O SER B 9 -0.753 -3.622 -9.817 1.00 0.00 O ATOM 446 CB SER B 9 -2.737 -2.978 -12.096 1.00 0.00 C ATOM 447 OG SER B 9 -2.501 -4.380 -12.082 1.00 0.00 O ATOM 0 H SER B 9 -3.378 -0.636 -11.552 1.00 0.00 H new ATOM 0 HA SER B 9 -3.313 -3.017 -10.020 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.718 -2.767 -12.521 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.002 -2.480 -12.729 1.00 0.00 H new ATOM 0 HG SER B 9 -2.555 -4.730 -12.996 1.00 0.00 H new ATOM 453 N ASP B 10 -0.505 -1.461 -10.107 1.00 0.00 N ATOM 454 CA ASP B 10 0.891 -1.508 -9.617 1.00 0.00 C ATOM 455 C ASP B 10 0.900 -2.088 -8.204 1.00 0.00 C ATOM 456 O ASP B 10 1.870 -2.675 -7.767 1.00 0.00 O ATOM 457 CB ASP B 10 1.453 -0.089 -9.601 1.00 0.00 C ATOM 458 CG ASP B 10 1.690 0.383 -11.037 1.00 0.00 C ATOM 459 OD1 ASP B 10 2.659 -0.059 -11.631 1.00 0.00 O ATOM 460 OD2 ASP B 10 0.900 1.179 -11.517 1.00 0.00 O ATOM 0 H ASP B 10 -0.837 -0.537 -10.383 1.00 0.00 H new ATOM 0 HA ASP B 10 1.503 -2.133 -10.267 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.759 0.583 -9.096 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.387 -0.063 -9.040 1.00 0.00 H new ATOM 465 N LEU B 11 -0.185 -1.940 -7.492 1.00 0.00 N ATOM 466 CA LEU B 11 -0.254 -2.492 -6.113 1.00 0.00 C ATOM 467 C LEU B 11 -0.135 -4.012 -6.176 1.00 0.00 C ATOM 468 O LEU B 11 0.715 -4.605 -5.541 1.00 0.00 O ATOM 469 CB LEU B 11 -1.594 -2.115 -5.484 1.00 0.00 C ATOM 470 CG LEU B 11 -1.407 -0.933 -4.532 1.00 0.00 C ATOM 471 CD1 LEU B 11 -0.509 -1.351 -3.367 1.00 0.00 C ATOM 472 CD2 LEU B 11 -0.759 0.230 -5.283 1.00 0.00 C ATOM 0 H LEU B 11 -1.027 -1.459 -7.809 1.00 0.00 H new ATOM 0 HA LEU B 11 0.559 -2.084 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.311 -1.856 -6.263 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.005 -2.968 -4.943 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.378 -0.621 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.376 -0.508 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.972 -2.179 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.462 -1.665 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.626 1.072 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.211 -0.082 -5.669 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.400 0.530 -6.112 1.00 0.00 H new ATOM 484 N VAL B 12 -0.979 -4.651 -6.939 1.00 0.00 N ATOM 485 CA VAL B 12 -0.906 -6.132 -7.040 1.00 0.00 C ATOM 486 C VAL B 12 0.464 -6.527 -7.580 1.00 0.00 C ATOM 487 O VAL B 12 0.879 -7.656 -7.454 1.00 0.00 O ATOM 488 CB VAL B 12 -1.996 -6.649 -7.981 1.00 0.00 C ATOM 489 CG1 VAL B 12 -3.312 -5.953 -7.651 1.00 0.00 C ATOM 490 CG2 VAL B 12 -1.614 -6.353 -9.434 1.00 0.00 C ATOM 0 H VAL B 12 -1.713 -4.211 -7.494 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.056 -6.569 -6.053 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.104 -7.726 -7.853 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.093 -6.317 -8.318 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.588 -6.167 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.197 -4.877 -7.780 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.395 -6.724 -10.098 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.503 -5.277 -9.569 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.672 -6.847 -9.670 1.00 0.00 H new ATOM 500 N GLU B 13 1.174 -5.597 -8.160 1.00 0.00 N ATOM 501 CA GLU B 13 2.526 -5.921 -8.686 1.00 0.00 C ATOM 502 C GLU B 13 3.451 -6.089 -7.491 1.00 0.00 C ATOM 503 O GLU B 13 4.193 -7.046 -7.386 1.00 0.00 O ATOM 504 CB GLU B 13 3.026 -4.777 -9.570 1.00 0.00 C ATOM 505 CG GLU B 13 4.135 -5.290 -10.491 1.00 0.00 C ATOM 506 CD GLU B 13 5.346 -4.362 -10.398 1.00 0.00 C ATOM 507 OE1 GLU B 13 6.030 -4.412 -9.388 1.00 0.00 O ATOM 508 OE2 GLU B 13 5.572 -3.616 -11.337 1.00 0.00 O ATOM 0 H GLU B 13 0.875 -4.631 -8.291 1.00 0.00 H new ATOM 0 HA GLU B 13 2.499 -6.832 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.204 -4.375 -10.162 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.401 -3.962 -8.951 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.418 -6.304 -10.207 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.776 -5.335 -11.519 1.00 0.00 H new ATOM 515 N ALA B 14 3.379 -5.173 -6.571 1.00 0.00 N ATOM 516 CA ALA B 14 4.213 -5.276 -5.354 1.00 0.00 C ATOM 517 C ALA B 14 3.798 -6.543 -4.611 1.00 0.00 C ATOM 518 O ALA B 14 4.616 -7.272 -4.083 1.00 0.00 O ATOM 519 CB ALA B 14 3.965 -4.052 -4.473 1.00 0.00 C ATOM 0 H ALA B 14 2.773 -4.353 -6.613 1.00 0.00 H new ATOM 0 HA ALA B 14 5.272 -5.319 -5.609 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.577 -4.121 -3.574 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.229 -3.149 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.912 -4.012 -4.194 1.00 0.00 H new ATOM 525 N LEU B 15 2.520 -6.820 -4.591 1.00 0.00 N ATOM 526 CA LEU B 15 2.034 -8.047 -3.909 1.00 0.00 C ATOM 527 C LEU B 15 2.384 -9.253 -4.775 1.00 0.00 C ATOM 528 O LEU B 15 2.823 -10.280 -4.296 1.00 0.00 O ATOM 529 CB LEU B 15 0.518 -7.968 -3.722 1.00 0.00 C ATOM 530 CG LEU B 15 0.154 -6.662 -3.013 1.00 0.00 C ATOM 531 CD1 LEU B 15 -1.265 -6.247 -3.402 1.00 0.00 C ATOM 532 CD2 LEU B 15 0.226 -6.871 -1.498 1.00 0.00 C ATOM 0 H LEU B 15 1.794 -6.246 -5.019 1.00 0.00 H new ATOM 0 HA LEU B 15 2.504 -8.141 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.019 -8.019 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.169 -8.820 -3.138 1.00 0.00 H new ATOM 0 HG LEU B 15 0.854 -5.880 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.523 -5.317 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.318 -6.101 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.966 -7.027 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.033 -5.942 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.475 -7.653 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.237 -7.167 -1.219 1.00 0.00 H new ATOM 544 N TYR B 16 2.195 -9.125 -6.054 1.00 0.00 N ATOM 545 CA TYR B 16 2.516 -10.244 -6.986 1.00 0.00 C ATOM 546 C TYR B 16 3.828 -10.908 -6.576 1.00 0.00 C ATOM 547 O TYR B 16 3.943 -12.117 -6.531 1.00 0.00 O ATOM 548 CB TYR B 16 2.705 -9.689 -8.398 1.00 0.00 C ATOM 549 CG TYR B 16 2.016 -10.585 -9.394 1.00 0.00 C ATOM 550 CD1 TYR B 16 2.531 -11.859 -9.666 1.00 0.00 C ATOM 551 CD2 TYR B 16 0.861 -10.140 -10.047 1.00 0.00 C ATOM 552 CE1 TYR B 16 1.888 -12.689 -10.594 1.00 0.00 C ATOM 553 CE2 TYR B 16 0.217 -10.968 -10.974 1.00 0.00 C ATOM 554 CZ TYR B 16 0.730 -12.244 -11.248 1.00 0.00 C ATOM 555 OH TYR B 16 0.097 -13.062 -12.162 1.00 0.00 O ATOM 0 H TYR B 16 1.828 -8.285 -6.502 1.00 0.00 H new ATOM 0 HA TYR B 16 1.700 -10.965 -6.954 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.297 -8.680 -8.460 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.767 -9.619 -8.632 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.422 -12.201 -9.161 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.466 -9.157 -9.836 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.284 -13.671 -10.806 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.674 -10.624 -11.478 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.690 -12.602 -12.522 1.00 0.00 H new ATOM 565 N LEU B 17 4.833 -10.121 -6.329 1.00 0.00 N ATOM 566 CA LEU B 17 6.162 -10.687 -5.978 1.00 0.00 C ATOM 567 C LEU B 17 6.210 -11.158 -4.519 1.00 0.00 C ATOM 568 O LEU B 17 6.563 -12.287 -4.245 1.00 0.00 O ATOM 569 CB LEU B 17 7.220 -9.607 -6.219 1.00 0.00 C ATOM 570 CG LEU B 17 8.649 -10.186 -6.180 1.00 0.00 C ATOM 571 CD1 LEU B 17 8.645 -11.704 -6.412 1.00 0.00 C ATOM 572 CD2 LEU B 17 9.471 -9.520 -7.282 1.00 0.00 C ATOM 0 H LEU B 17 4.791 -9.102 -6.355 1.00 0.00 H new ATOM 0 HA LEU B 17 6.354 -11.559 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.045 -9.136 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.123 -8.828 -5.463 1.00 0.00 H new ATOM 0 HG LEU B 17 9.077 -9.992 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.668 -12.080 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.054 -12.189 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.210 -11.922 -7.388 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.486 -9.918 -7.270 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.014 -9.723 -8.250 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.501 -8.444 -7.113 1.00 0.00 H new ATOM 584 N VAL B 18 5.876 -10.318 -3.575 1.00 0.00 N ATOM 585 CA VAL B 18 5.933 -10.758 -2.158 1.00 0.00 C ATOM 586 C VAL B 18 5.100 -12.023 -1.975 1.00 0.00 C ATOM 587 O VAL B 18 5.536 -12.992 -1.385 1.00 0.00 O ATOM 588 CB VAL B 18 5.388 -9.650 -1.267 1.00 0.00 C ATOM 589 CG1 VAL B 18 6.214 -8.381 -1.465 1.00 0.00 C ATOM 590 CG2 VAL B 18 3.934 -9.368 -1.630 1.00 0.00 C ATOM 0 H VAL B 18 5.570 -9.357 -3.725 1.00 0.00 H new ATOM 0 HA VAL B 18 6.966 -10.972 -1.885 1.00 0.00 H new ATOM 0 HB VAL B 18 5.448 -9.965 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.823 -7.589 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.253 -8.579 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.156 -8.068 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.547 -8.575 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.873 -9.056 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.341 -10.271 -1.486 1.00 0.00 H new ATOM 600 N CYS B 19 3.910 -12.016 -2.485 1.00 0.00 N ATOM 601 CA CYS B 19 3.029 -13.208 -2.360 1.00 0.00 C ATOM 602 C CYS B 19 2.918 -13.889 -3.722 1.00 0.00 C ATOM 603 O CYS B 19 3.416 -14.977 -3.929 1.00 0.00 O ATOM 604 CB CYS B 19 1.640 -12.765 -1.901 1.00 0.00 C ATOM 605 SG CYS B 19 1.458 -13.069 -0.127 1.00 0.00 S ATOM 0 H CYS B 19 3.501 -11.229 -2.989 1.00 0.00 H new ATOM 0 HA CYS B 19 3.448 -13.903 -1.632 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.496 -11.706 -2.115 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.873 -13.308 -2.453 1.00 0.00 H new ATOM 610 N GLY B 20 2.268 -13.251 -4.654 1.00 0.00 N ATOM 611 CA GLY B 20 2.125 -13.851 -6.008 1.00 0.00 C ATOM 612 C GLY B 20 1.277 -15.121 -5.922 1.00 0.00 C ATOM 613 O GLY B 20 0.064 -15.065 -5.856 1.00 0.00 O ATOM 0 H GLY B 20 1.829 -12.338 -4.536 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.659 -13.136 -6.686 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.107 -14.085 -6.418 1.00 0.00 H new ATOM 617 N GLU B 21 1.903 -16.265 -5.923 1.00 0.00 N ATOM 618 CA GLU B 21 1.131 -17.537 -5.843 1.00 0.00 C ATOM 619 C GLU B 21 0.337 -17.574 -4.535 1.00 0.00 C ATOM 620 O GLU B 21 -0.546 -18.389 -4.356 1.00 0.00 O ATOM 621 CB GLU B 21 2.096 -18.724 -5.888 1.00 0.00 C ATOM 622 CG GLU B 21 1.403 -19.922 -6.540 1.00 0.00 C ATOM 623 CD GLU B 21 0.946 -20.900 -5.457 1.00 0.00 C ATOM 624 OE1 GLU B 21 -0.089 -20.651 -4.860 1.00 0.00 O ATOM 625 OE2 GLU B 21 1.639 -21.881 -5.242 1.00 0.00 O ATOM 0 H GLU B 21 2.916 -16.374 -5.976 1.00 0.00 H new ATOM 0 HA GLU B 21 0.443 -17.596 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.991 -18.458 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.419 -18.982 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.547 -19.586 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.085 -20.419 -7.229 1.00 0.00 H new ATOM 632 N ARG B 22 0.643 -16.696 -3.619 1.00 0.00 N ATOM 633 CA ARG B 22 -0.094 -16.681 -2.325 1.00 0.00 C ATOM 634 C ARG B 22 -1.445 -15.987 -2.513 1.00 0.00 C ATOM 635 O ARG B 22 -2.238 -15.895 -1.596 1.00 0.00 O ATOM 636 CB ARG B 22 0.728 -15.924 -1.280 1.00 0.00 C ATOM 637 CG ARG B 22 1.379 -16.924 -0.321 1.00 0.00 C ATOM 638 CD ARG B 22 2.468 -17.705 -1.058 1.00 0.00 C ATOM 639 NE ARG B 22 3.128 -18.649 -0.112 1.00 0.00 N ATOM 640 CZ ARG B 22 4.292 -19.162 -0.406 1.00 0.00 C ATOM 641 NH1 ARG B 22 4.415 -19.953 -1.437 1.00 0.00 N ATOM 642 NH2 ARG B 22 5.332 -18.884 0.332 1.00 0.00 N ATOM 0 H ARG B 22 1.372 -15.988 -3.712 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.257 -17.705 -1.988 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.494 -15.322 -1.770 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.088 -15.237 -0.727 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.808 -16.399 0.532 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.628 -17.609 0.071 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.034 -18.254 -1.894 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.204 -17.018 -1.476 1.00 0.00 H new ATOM 0 HE ARG B 22 2.670 -18.894 0.766 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.602 -20.170 -2.013 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.324 -20.354 -1.667 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.235 -18.266 1.138 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.242 -19.284 0.103 1.00 0.00 H new ATOM 656 N GLY B 23 -1.716 -15.498 -3.692 1.00 0.00 N ATOM 657 CA GLY B 23 -3.017 -14.813 -3.934 1.00 0.00 C ATOM 658 C GLY B 23 -3.166 -13.640 -2.965 1.00 0.00 C ATOM 659 O GLY B 23 -3.775 -13.759 -1.920 1.00 0.00 O ATOM 0 H GLY B 23 -1.093 -15.543 -4.498 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.066 -14.457 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.840 -15.515 -3.800 1.00 0.00 H new ATOM 663 N PHE B 24 -2.616 -12.505 -3.302 1.00 0.00 N ATOM 664 CA PHE B 24 -2.727 -11.328 -2.405 1.00 0.00 C ATOM 665 C PHE B 24 -4.201 -10.953 -2.236 1.00 0.00 C ATOM 666 O PHE B 24 -5.085 -11.707 -2.593 1.00 0.00 O ATOM 667 CB PHE B 24 -1.964 -10.158 -3.024 1.00 0.00 C ATOM 668 CG PHE B 24 -2.182 -10.139 -4.519 1.00 0.00 C ATOM 669 CD1 PHE B 24 -3.431 -9.773 -5.040 1.00 0.00 C ATOM 670 CD2 PHE B 24 -1.137 -10.487 -5.385 1.00 0.00 C ATOM 671 CE1 PHE B 24 -3.634 -9.755 -6.426 1.00 0.00 C ATOM 672 CE2 PHE B 24 -1.341 -10.469 -6.772 1.00 0.00 C ATOM 673 CZ PHE B 24 -2.590 -10.103 -7.292 1.00 0.00 C ATOM 0 H PHE B 24 -2.094 -12.345 -4.163 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.305 -11.564 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.302 -9.219 -2.586 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.900 -10.248 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.237 -9.505 -4.373 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.175 -10.769 -4.984 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.596 -9.473 -6.827 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.536 -10.737 -7.440 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.747 -10.089 -8.360 1.00 0.00 H new ATOM 683 N PHE B 25 -4.478 -9.800 -1.691 1.00 0.00 N ATOM 684 CA PHE B 25 -5.899 -9.392 -1.501 1.00 0.00 C ATOM 685 C PHE B 25 -6.045 -7.886 -1.730 1.00 0.00 C ATOM 686 O PHE B 25 -6.892 -7.240 -1.147 1.00 0.00 O ATOM 687 CB PHE B 25 -6.339 -9.735 -0.075 1.00 0.00 C ATOM 688 CG PHE B 25 -7.825 -9.508 0.064 1.00 0.00 C ATOM 689 CD1 PHE B 25 -8.729 -10.434 -0.474 1.00 0.00 C ATOM 690 CD2 PHE B 25 -8.300 -8.371 0.731 1.00 0.00 C ATOM 691 CE1 PHE B 25 -10.109 -10.223 -0.343 1.00 0.00 C ATOM 692 CE2 PHE B 25 -9.679 -8.160 0.862 1.00 0.00 C ATOM 693 CZ PHE B 25 -10.583 -9.087 0.325 1.00 0.00 C ATOM 0 H PHE B 25 -3.784 -9.125 -1.370 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.524 -9.925 -2.218 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.097 -10.773 0.151 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.798 -9.118 0.642 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.363 -11.310 -0.989 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.603 -7.657 1.144 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.806 -10.936 -0.757 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.045 -7.284 1.376 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.646 -8.925 0.426 1.00 0.00 H new ATOM 703 N TYR B 26 -5.232 -7.318 -2.580 1.00 0.00 N ATOM 704 CA TYR B 26 -5.338 -5.855 -2.845 1.00 0.00 C ATOM 705 C TYR B 26 -6.785 -5.525 -3.185 1.00 0.00 C ATOM 706 O TYR B 26 -7.657 -6.371 -3.171 1.00 0.00 O ATOM 707 CB TYR B 26 -4.389 -5.483 -4.001 1.00 0.00 C ATOM 708 CG TYR B 26 -4.755 -4.198 -4.702 1.00 0.00 C ATOM 709 CD1 TYR B 26 -4.237 -2.977 -4.246 1.00 0.00 C ATOM 710 CD2 TYR B 26 -5.607 -4.225 -5.813 1.00 0.00 C ATOM 711 CE1 TYR B 26 -4.576 -1.785 -4.901 1.00 0.00 C ATOM 712 CE2 TYR B 26 -5.945 -3.033 -6.467 1.00 0.00 C ATOM 713 CZ TYR B 26 -5.429 -1.813 -6.012 1.00 0.00 C ATOM 714 OH TYR B 26 -5.761 -0.640 -6.657 1.00 0.00 O ATOM 0 H TYR B 26 -4.501 -7.803 -3.101 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.047 -5.278 -1.967 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.374 -5.397 -3.612 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.384 -6.294 -4.729 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -3.578 -2.955 -3.391 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.004 -5.165 -6.166 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.179 -0.844 -4.549 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.604 -3.055 -7.322 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.360 -0.837 -7.407 1.00 0.00 H new ATOM 724 N THR B 27 -7.033 -4.299 -3.465 1.00 0.00 N ATOM 725 CA THR B 27 -8.417 -3.856 -3.791 1.00 0.00 C ATOM 726 C THR B 27 -8.759 -4.221 -5.237 1.00 0.00 C ATOM 727 O THR B 27 -8.065 -4.984 -5.878 1.00 0.00 O ATOM 728 CB THR B 27 -8.511 -2.340 -3.615 1.00 0.00 C ATOM 729 OG1 THR B 27 -7.213 -1.771 -3.725 1.00 0.00 O ATOM 730 CG2 THR B 27 -9.097 -2.018 -2.239 1.00 0.00 C ATOM 0 H THR B 27 -6.331 -3.560 -3.486 1.00 0.00 H new ATOM 0 HA THR B 27 -9.121 -4.353 -3.124 1.00 0.00 H new ATOM 0 HB THR B 27 -9.158 -1.924 -4.388 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.774 -2.112 -4.532 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.163 -0.937 -2.116 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.092 -2.454 -2.156 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.453 -2.433 -1.463 1.00 0.00 H new ATOM 738 N LYS B 28 -9.832 -3.685 -5.752 1.00 0.00 N ATOM 739 CA LYS B 28 -10.227 -4.002 -7.153 1.00 0.00 C ATOM 740 C LYS B 28 -10.055 -2.760 -8.037 1.00 0.00 C ATOM 741 O LYS B 28 -9.578 -1.736 -7.592 1.00 0.00 O ATOM 742 CB LYS B 28 -11.686 -4.462 -7.184 1.00 0.00 C ATOM 743 CG LYS B 28 -11.786 -5.890 -7.730 1.00 0.00 C ATOM 744 CD LYS B 28 -12.432 -6.794 -6.678 1.00 0.00 C ATOM 745 CE LYS B 28 -11.832 -8.197 -6.774 1.00 0.00 C ATOM 746 NZ LYS B 28 -12.432 -8.916 -7.933 1.00 0.00 N ATOM 0 H LYS B 28 -10.452 -3.041 -5.262 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.590 -4.800 -7.533 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.108 -4.420 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.274 -3.786 -7.806 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.377 -5.900 -8.646 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.794 -6.263 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.269 -6.384 -5.681 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.510 -6.837 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.750 -8.134 -6.892 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.021 -8.749 -5.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.024 -9.870 -7.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.461 -8.988 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.230 -8.392 -8.809 1.00 0.00 H new ATOM 760 N PRO B 29 -10.430 -2.919 -9.275 1.00 0.00 N ATOM 761 CA PRO B 29 -10.328 -1.876 -10.301 1.00 0.00 C ATOM 762 C PRO B 29 -11.573 -0.984 -10.287 1.00 0.00 C ATOM 763 O PRO B 29 -12.686 -1.453 -10.432 1.00 0.00 O ATOM 764 CB PRO B 29 -10.248 -2.688 -11.601 1.00 0.00 C ATOM 765 CG PRO B 29 -10.876 -4.076 -11.296 1.00 0.00 C ATOM 766 CD PRO B 29 -10.994 -4.180 -9.764 1.00 0.00 C ATOM 0 HA PRO B 29 -9.481 -1.205 -10.160 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.787 -2.187 -12.405 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -9.214 -2.794 -11.929 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -11.854 -4.170 -11.767 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.253 -4.878 -11.692 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.031 -4.300 -9.451 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.444 -5.039 -9.379 1.00 0.00 H new ATOM 774 N THR B 30 -11.397 0.297 -10.115 1.00 0.00 N ATOM 775 CA THR B 30 -12.570 1.215 -10.093 1.00 0.00 C ATOM 776 C THR B 30 -12.656 1.965 -11.424 1.00 0.00 C ATOM 777 O THR B 30 -13.165 1.391 -12.373 1.00 0.00 O ATOM 778 CB THR B 30 -12.409 2.220 -8.950 1.00 0.00 C ATOM 779 OG1 THR B 30 -11.029 2.378 -8.652 1.00 0.00 O ATOM 780 CG2 THR B 30 -13.145 1.709 -7.711 1.00 0.00 C ATOM 781 OXT THR B 30 -12.213 3.100 -11.472 1.00 0.00 O ATOM 0 H THR B 30 -10.491 0.748 -9.989 1.00 0.00 H new ATOM 0 HA THR B 30 -13.482 0.637 -9.943 1.00 0.00 H new ATOM 0 HB THR B 30 -12.829 3.180 -9.248 1.00 0.00 H new ATOM 0 HG1 THR B 30 -10.924 3.023 -7.921 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.030 2.426 -6.898 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.204 1.588 -7.941 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.727 0.748 -7.410 1.00 0.00 H new TER 789 THR B 30