USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 793 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 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 52 THR OG1 : rot 102:sc= 1.18 USER MOD Set 2.2: A 54 THR OG1 : rot 4:sc= 0.887 USER MOD Set 3.1: A 5 GLN : amide:sc= 0.193 K(o=0.41,f=-1.2) USER MOD Set 3.2: A 7 LYS NZ :NH3+ -123:sc= 0.22 (180deg=-0.0179) USER MOD Set 4.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 3 HIS : no HE2:sc= 0.435 K(o=0.43,f=-0.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 146:sc= -0.311 (180deg=-1.19) USER MOD Single : A 6 TYR OH : rot 156:sc= 0.0129 USER MOD Single : A 11 ASN : amide:sc= -0.185 K(o=-0.19,f=-0.77) USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0642) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -118:sc= 0.276 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0382 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.496 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.0313 (180deg=-0.295) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.3!) USER MOD Single : A 47 THR OG1 : rot 150:sc= -1.95! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= -0.0014 (180deg=-0.106) USER MOD Single : A 55 TYR OH : rot 48:sc= 0.188 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 170:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 69 MET CE :methyl 153:sc= -0.13 (180deg=-0.821) USER MOD Single : A 71 GLN : amide:sc= -1.3! K(o=-1.3!,f=-0.042) USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= -0.882! (180deg=-1.41!) USER MOD Single : A 84 THR OG1 : rot 145:sc= 0.819 USER MOD Single : A 85 SER OG : rot 54:sc= 1.25 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.027 X(o=-0.027,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.749 K(o=-0.75,f=-1.6!) USER MOD Single : A 96 THR OG1 : rot -68:sc= 0.951 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0521 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -38.996 6.361 -5.149 1.00 4.75 N ATOM 2 CA GLY A 1 -40.236 5.895 -4.476 1.00 3.82 C ATOM 3 C GLY A 1 -39.978 5.512 -3.035 1.00 2.64 C ATOM 4 O GLY A 1 -39.555 4.385 -2.765 1.00 2.97 O ATOM 0 H1 GLY A 1 -39.210 6.615 -6.134 1.00 4.75 H new ATOM 0 H2 GLY A 1 -38.622 7.194 -4.650 1.00 4.75 H new ATOM 0 H3 GLY A 1 -38.286 5.601 -5.134 1.00 4.75 H new ATOM 0 HA2 GLY A 1 -40.989 6.682 -4.515 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -40.642 5.038 -5.014 1.00 3.82 H new ATOM 10 N SER A 2 -40.169 6.474 -2.121 1.00 1.83 N ATOM 11 CA SER A 2 -39.942 6.275 -0.682 1.00 1.07 C ATOM 12 C SER A 2 -38.442 6.174 -0.371 1.00 0.80 C ATOM 13 O SER A 2 -37.897 6.977 0.390 1.00 0.96 O ATOM 14 CB SER A 2 -40.686 5.030 -0.177 1.00 1.95 C ATOM 15 OG SER A 2 -40.448 4.806 1.203 1.00 2.45 O ATOM 0 H SER A 2 -40.486 7.414 -2.359 1.00 1.83 H new ATOM 0 HA SER A 2 -40.339 7.144 -0.157 1.00 1.07 H new ATOM 0 HB2 SER A 2 -41.756 5.150 -0.348 1.00 1.95 H new ATOM 0 HB3 SER A 2 -40.368 4.158 -0.748 1.00 1.95 H new ATOM 0 HG SER A 2 -40.936 4.008 1.494 1.00 2.45 H new ATOM 21 N HIS A 3 -37.780 5.200 -0.979 1.00 0.62 N ATOM 22 CA HIS A 3 -36.352 5.000 -0.784 1.00 0.44 C ATOM 23 C HIS A 3 -35.596 5.332 -2.064 1.00 0.40 C ATOM 24 O HIS A 3 -36.202 5.532 -3.119 1.00 0.53 O ATOM 25 CB HIS A 3 -36.046 3.544 -0.398 1.00 0.55 C ATOM 26 CG HIS A 3 -36.645 3.093 0.900 1.00 1.04 C ATOM 27 ND1 HIS A 3 -35.891 2.807 2.016 1.00 1.55 N ATOM 28 CD2 HIS A 3 -37.929 2.827 1.245 1.00 1.91 C ATOM 29 CE1 HIS A 3 -36.680 2.395 2.987 1.00 2.22 C ATOM 30 NE2 HIS A 3 -37.923 2.394 2.546 1.00 2.50 N ATOM 0 H HIS A 3 -38.213 4.532 -1.616 1.00 0.62 H new ATOM 0 HA HIS A 3 -36.033 5.660 0.023 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -36.405 2.890 -1.193 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -34.965 3.418 -0.345 1.00 0.55 H new ATOM 0 HD1 HIS A 3 -34.877 2.900 2.081 1.00 1.55 H new ATOM 0 HD2 HIS A 3 -38.797 2.936 0.612 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -36.362 2.106 3.978 1.00 2.22 H new ATOM 39 N MET A 4 -34.278 5.401 -1.956 1.00 0.38 N ATOM 40 CA MET A 4 -33.414 5.609 -3.102 1.00 0.41 C ATOM 41 C MET A 4 -32.320 4.551 -3.069 1.00 0.37 C ATOM 42 O MET A 4 -31.779 4.250 -2.003 1.00 0.43 O ATOM 43 CB MET A 4 -32.828 7.032 -3.097 1.00 0.54 C ATOM 44 CG MET A 4 -32.176 7.438 -1.781 1.00 1.29 C ATOM 45 SD MET A 4 -31.593 9.148 -1.783 1.00 1.92 S ATOM 46 CE MET A 4 -33.120 10.011 -2.151 1.00 2.06 C ATOM 0 H MET A 4 -33.780 5.314 -1.070 1.00 0.38 H new ATOM 0 HA MET A 4 -33.985 5.511 -4.026 1.00 0.41 H new ATOM 0 HB2 MET A 4 -32.089 7.111 -3.894 1.00 0.54 H new ATOM 0 HB3 MET A 4 -33.623 7.740 -3.329 1.00 0.54 H new ATOM 0 HG2 MET A 4 -32.892 7.305 -0.970 1.00 1.29 H new ATOM 0 HG3 MET A 4 -31.336 6.773 -1.577 1.00 1.29 H new ATOM 0 HE1 MET A 4 -33.130 10.970 -1.633 1.00 2.06 H new ATOM 0 HE2 MET A 4 -33.193 10.179 -3.226 1.00 2.06 H new ATOM 0 HE3 MET A 4 -33.967 9.410 -1.819 1.00 2.06 H new ATOM 56 N GLN A 5 -32.054 3.937 -4.213 1.00 0.34 N ATOM 57 CA GLN A 5 -31.107 2.832 -4.282 1.00 0.33 C ATOM 58 C GLN A 5 -29.671 3.291 -4.076 1.00 0.29 C ATOM 59 O GLN A 5 -29.232 4.287 -4.654 1.00 0.49 O ATOM 60 CB GLN A 5 -31.220 2.109 -5.629 1.00 0.44 C ATOM 61 CG GLN A 5 -30.277 0.921 -5.760 1.00 0.53 C ATOM 62 CD GLN A 5 -30.303 0.302 -7.138 1.00 1.07 C ATOM 63 OE1 GLN A 5 -29.538 0.692 -8.020 1.00 1.90 O ATOM 64 NE2 GLN A 5 -31.178 -0.667 -7.328 1.00 1.53 N ATOM 0 H GLN A 5 -32.480 4.185 -5.106 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.363 2.148 -3.473 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.246 1.765 -5.763 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.013 2.817 -6.431 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.261 1.242 -5.530 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -30.547 0.166 -5.022 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -31.792 -0.956 -6.566 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -31.241 -1.127 -8.236 1.00 1.53 H new ATOM 73 N TYR A 6 -28.956 2.559 -3.235 1.00 0.20 N ATOM 74 CA TYR A 6 -27.537 2.793 -3.009 1.00 0.21 C ATOM 75 C TYR A 6 -26.798 1.470 -3.139 1.00 0.23 C ATOM 76 O TYR A 6 -27.334 0.420 -2.777 1.00 0.30 O ATOM 77 CB TYR A 6 -27.278 3.403 -1.619 1.00 0.28 C ATOM 78 CG TYR A 6 -27.451 4.903 -1.563 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.405 5.754 -1.902 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.654 5.470 -1.164 1.00 0.78 C ATOM 81 CE1 TYR A 6 -26.556 7.128 -1.846 1.00 0.82 C ATOM 82 CE2 TYR A 6 -28.813 6.840 -1.105 1.00 0.83 C ATOM 83 CZ TYR A 6 -27.761 7.665 -1.448 1.00 0.43 C ATOM 84 OH TYR A 6 -27.917 9.034 -1.396 1.00 0.53 O ATOM 0 H TYR A 6 -29.342 1.787 -2.691 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.177 3.505 -3.752 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.955 2.943 -0.900 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -26.264 3.153 -1.307 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.459 5.336 -2.214 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.480 4.828 -0.895 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -25.734 7.776 -2.113 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -29.756 7.264 -0.792 1.00 0.83 H new ATOM 0 HH TYR A 6 -28.868 9.258 -1.471 1.00 0.53 H new ATOM 94 N LYS A 7 -25.596 1.505 -3.695 1.00 0.26 N ATOM 95 CA LYS A 7 -24.819 0.287 -3.865 1.00 0.30 C ATOM 96 C LYS A 7 -23.386 0.469 -3.405 1.00 0.23 C ATOM 97 O LYS A 7 -22.881 1.586 -3.335 1.00 0.31 O ATOM 98 CB LYS A 7 -24.845 -0.185 -5.327 1.00 0.50 C ATOM 99 CG LYS A 7 -24.632 0.924 -6.345 1.00 0.98 C ATOM 100 CD LYS A 7 -24.354 0.359 -7.734 1.00 1.30 C ATOM 101 CE LYS A 7 -25.511 -0.484 -8.254 1.00 1.94 C ATOM 102 NZ LYS A 7 -26.721 0.335 -8.534 1.00 2.57 N ATOM 0 H LYS A 7 -25.142 2.354 -4.033 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.282 -0.477 -3.241 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -24.074 -0.943 -5.466 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -25.803 -0.665 -5.525 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -25.515 1.562 -6.380 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -23.798 1.552 -6.032 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -24.164 1.179 -8.427 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -23.449 -0.248 -7.703 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -25.203 -0.998 -9.165 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -25.756 -1.253 -7.521 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -27.524 -0.032 -7.984 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -26.541 1.323 -8.266 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -26.945 0.287 -9.548 1.00 2.57 H new ATOM 116 N LEU A 8 -22.758 -0.645 -3.068 1.00 0.22 N ATOM 117 CA LEU A 8 -21.371 -0.657 -2.627 1.00 0.20 C ATOM 118 C LEU A 8 -20.614 -1.752 -3.365 1.00 0.17 C ATOM 119 O LEU A 8 -21.132 -2.854 -3.547 1.00 0.25 O ATOM 120 CB LEU A 8 -21.277 -0.911 -1.118 1.00 0.28 C ATOM 121 CG LEU A 8 -19.855 -0.931 -0.557 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.354 0.465 -0.222 1.00 0.30 C ATOM 123 CD2 LEU A 8 -19.805 -1.820 0.652 1.00 0.33 C ATOM 0 H LEU A 8 -23.194 -1.567 -3.092 1.00 0.22 H new ATOM 0 HA LEU A 8 -20.933 0.317 -2.845 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -21.846 -0.140 -0.598 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -21.754 -1.865 -0.894 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.192 -1.327 -1.326 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -18.340 0.403 0.173 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.355 1.078 -1.123 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.007 0.917 0.525 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -18.791 -1.834 1.052 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -20.489 -1.441 1.411 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.099 -2.832 0.372 1.00 0.33 H new ATOM 135 N ILE A 9 -19.407 -1.437 -3.805 1.00 0.15 N ATOM 136 CA ILE A 9 -18.572 -2.402 -4.489 1.00 0.14 C ATOM 137 C ILE A 9 -17.325 -2.653 -3.654 1.00 0.13 C ATOM 138 O ILE A 9 -16.617 -1.711 -3.289 1.00 0.17 O ATOM 139 CB ILE A 9 -18.173 -1.926 -5.910 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.414 -1.805 -6.825 1.00 0.26 C ATOM 141 CG2 ILE A 9 -17.161 -2.890 -6.520 1.00 0.26 C ATOM 142 CD1 ILE A 9 -19.093 -1.207 -8.179 1.00 0.62 C ATOM 0 H ILE A 9 -18.985 -0.515 -3.698 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.142 -3.323 -4.609 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.719 -0.939 -5.824 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.854 -2.793 -6.965 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -20.165 -1.189 -6.330 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.887 -2.547 -7.518 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.271 -2.928 -5.892 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.601 -3.885 -6.587 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -20.003 -1.148 -8.776 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.680 -0.207 -8.046 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -18.364 -1.835 -8.691 1.00 0.62 H new ATOM 154 N LEU A 10 -17.109 -3.901 -3.275 1.00 0.12 N ATOM 155 CA LEU A 10 -15.947 -4.232 -2.480 1.00 0.13 C ATOM 156 C LEU A 10 -14.791 -4.567 -3.395 1.00 0.15 C ATOM 157 O LEU A 10 -14.815 -5.572 -4.109 1.00 0.25 O ATOM 158 CB LEU A 10 -16.183 -5.401 -1.510 1.00 0.14 C ATOM 159 CG LEU A 10 -17.273 -5.233 -0.436 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.259 -3.849 0.175 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.658 -5.569 -0.986 1.00 0.19 C ATOM 0 H LEU A 10 -17.715 -4.689 -3.503 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.723 -3.356 -1.871 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.429 -6.283 -2.102 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.242 -5.610 -1.002 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.043 -5.944 0.358 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.044 -3.775 0.927 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.291 -3.667 0.642 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.432 -3.106 -0.603 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.403 -5.439 -0.201 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -18.890 -4.905 -1.819 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.671 -6.603 -1.332 1.00 0.19 H new ATOM 173 N ASN A 11 -13.828 -3.674 -3.433 1.00 0.15 N ATOM 174 CA ASN A 11 -12.636 -3.879 -4.225 1.00 0.18 C ATOM 175 C ASN A 11 -11.508 -4.302 -3.311 1.00 0.20 C ATOM 176 O ASN A 11 -10.770 -3.462 -2.798 1.00 0.24 O ATOM 177 CB ASN A 11 -12.221 -2.595 -4.946 1.00 0.24 C ATOM 178 CG ASN A 11 -13.026 -2.260 -6.174 1.00 1.01 C ATOM 179 OD1 ASN A 11 -14.148 -1.763 -6.088 1.00 1.96 O ATOM 180 ND2 ASN A 11 -12.427 -2.466 -7.331 1.00 1.33 N ATOM 0 H ASN A 11 -13.848 -2.792 -2.921 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.847 -4.646 -4.970 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -12.295 -1.764 -4.245 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.172 -2.680 -5.231 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -12.895 -2.210 -8.200 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -11.496 -2.881 -7.356 1.00 1.33 H new ATOM 187 N GLY A 12 -11.408 -5.590 -3.061 1.00 0.21 N ATOM 188 CA GLY A 12 -10.343 -6.078 -2.227 1.00 0.26 C ATOM 189 C GLY A 12 -10.006 -7.522 -2.528 1.00 0.39 C ATOM 190 O GLY A 12 -10.891 -8.331 -2.794 1.00 0.91 O ATOM 0 H GLY A 12 -12.042 -6.304 -3.419 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.456 -5.461 -2.372 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.630 -5.983 -1.180 1.00 0.26 H new ATOM 194 N LYS A 13 -8.725 -7.833 -2.477 1.00 0.44 N ATOM 195 CA LYS A 13 -8.196 -9.168 -2.761 1.00 0.56 C ATOM 196 C LYS A 13 -8.889 -10.261 -1.940 1.00 0.66 C ATOM 197 O LYS A 13 -8.986 -11.408 -2.379 1.00 0.89 O ATOM 198 CB LYS A 13 -6.692 -9.180 -2.481 1.00 0.76 C ATOM 199 CG LYS A 13 -5.924 -8.154 -3.302 1.00 1.17 C ATOM 200 CD LYS A 13 -4.541 -7.887 -2.731 1.00 1.63 C ATOM 201 CE LYS A 13 -3.649 -9.114 -2.781 1.00 2.41 C ATOM 202 NZ LYS A 13 -3.304 -9.502 -4.172 1.00 3.26 N ATOM 0 H LYS A 13 -8.002 -7.156 -2.233 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.391 -9.388 -3.811 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.524 -8.988 -1.421 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.297 -10.174 -2.691 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -5.830 -8.508 -4.329 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.488 -7.222 -3.337 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -4.071 -7.076 -3.288 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.636 -7.551 -1.698 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -2.733 -8.918 -2.223 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -4.151 -9.946 -2.288 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -2.601 -10.269 -4.154 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -4.160 -9.828 -4.664 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -2.908 -8.681 -4.673 1.00 3.26 H new ATOM 216 N THR A 14 -9.389 -9.907 -0.770 1.00 0.76 N ATOM 217 CA THR A 14 -10.052 -10.881 0.094 1.00 1.06 C ATOM 218 C THR A 14 -11.564 -10.938 -0.184 1.00 0.93 C ATOM 219 O THR A 14 -12.184 -11.996 -0.077 1.00 1.20 O ATOM 220 CB THR A 14 -9.800 -10.544 1.579 1.00 1.44 C ATOM 221 OG1 THR A 14 -8.388 -10.446 1.812 1.00 1.93 O ATOM 222 CG2 THR A 14 -10.400 -11.603 2.501 1.00 1.86 C ATOM 0 H THR A 14 -9.352 -8.960 -0.393 1.00 0.76 H new ATOM 0 HA THR A 14 -9.629 -11.861 -0.126 1.00 1.06 H new ATOM 0 HB THR A 14 -10.283 -9.592 1.800 1.00 1.44 H new ATOM 0 HG1 THR A 14 -8.226 -10.230 2.754 1.00 1.93 H new ATOM 0 HG21 THR A 14 -10.204 -11.335 3.539 1.00 1.86 H new ATOM 0 HG22 THR A 14 -11.476 -11.660 2.338 1.00 1.86 H new ATOM 0 HG23 THR A 14 -9.948 -12.571 2.285 1.00 1.86 H new ATOM 230 N LEU A 15 -12.114 -9.833 -0.679 1.00 0.64 N ATOM 231 CA LEU A 15 -13.550 -9.730 -0.921 1.00 0.66 C ATOM 232 C LEU A 15 -13.845 -8.837 -2.122 1.00 0.49 C ATOM 233 O LEU A 15 -13.735 -7.614 -2.040 1.00 0.55 O ATOM 234 CB LEU A 15 -14.259 -9.153 0.311 1.00 0.92 C ATOM 235 CG LEU A 15 -15.350 -10.026 0.939 1.00 1.07 C ATOM 236 CD1 LEU A 15 -16.272 -10.571 -0.129 1.00 1.80 C ATOM 237 CD2 LEU A 15 -14.744 -11.154 1.760 1.00 1.35 C ATOM 0 H LEU A 15 -11.586 -8.995 -0.921 1.00 0.64 H new ATOM 0 HA LEU A 15 -13.920 -10.735 -1.126 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -13.507 -8.945 1.072 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -14.704 -8.197 0.033 1.00 0.92 H new ATOM 0 HG LEU A 15 -15.937 -9.403 1.614 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -17.041 -11.189 0.335 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -16.743 -9.744 -0.660 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -15.698 -11.174 -0.832 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -15.541 -11.757 2.194 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -14.124 -11.779 1.117 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -14.131 -10.735 2.558 1.00 1.35 H new ATOM 249 N LYS A 16 -14.161 -9.446 -3.255 1.00 0.42 N ATOM 250 CA LYS A 16 -14.555 -8.682 -4.431 1.00 0.37 C ATOM 251 C LYS A 16 -16.016 -8.984 -4.750 1.00 0.43 C ATOM 252 O LYS A 16 -16.393 -10.137 -4.963 1.00 0.58 O ATOM 253 CB LYS A 16 -13.688 -9.003 -5.654 1.00 0.45 C ATOM 254 CG LYS A 16 -12.181 -8.970 -5.427 1.00 0.43 C ATOM 255 CD LYS A 16 -11.617 -10.356 -5.582 1.00 1.03 C ATOM 256 CE LYS A 16 -10.141 -10.416 -5.265 1.00 1.81 C ATOM 257 NZ LYS A 16 -9.628 -11.811 -5.303 1.00 2.49 N ATOM 0 H LYS A 16 -14.153 -10.458 -3.386 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.417 -7.625 -4.205 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.960 -9.994 -6.018 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -13.933 -8.294 -6.445 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -11.710 -8.293 -6.140 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.961 -8.586 -4.431 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -12.155 -11.040 -4.925 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -11.781 -10.700 -6.603 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -9.590 -9.806 -5.980 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -9.963 -9.989 -4.278 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -9.272 -12.076 -4.362 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -10.397 -12.456 -5.576 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -8.856 -11.878 -5.997 1.00 2.49 H new ATOM 271 N GLY A 17 -16.838 -7.958 -4.728 1.00 0.33 N ATOM 272 CA GLY A 17 -18.261 -8.133 -4.934 1.00 0.39 C ATOM 273 C GLY A 17 -18.997 -6.835 -4.792 1.00 0.26 C ATOM 274 O GLY A 17 -18.381 -5.773 -4.718 1.00 0.23 O ATOM 0 H GLY A 17 -16.547 -6.993 -4.570 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.438 -8.547 -5.927 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.649 -8.854 -4.214 1.00 0.39 H new ATOM 278 N GLU A 18 -20.306 -6.918 -4.703 1.00 0.28 N ATOM 279 CA GLU A 18 -21.130 -5.734 -4.591 1.00 0.23 C ATOM 280 C GLU A 18 -22.526 -6.104 -4.115 1.00 0.29 C ATOM 281 O GLU A 18 -22.963 -7.249 -4.271 1.00 0.49 O ATOM 282 CB GLU A 18 -21.201 -5.003 -5.943 1.00 0.46 C ATOM 283 CG GLU A 18 -21.697 -5.874 -7.089 1.00 0.70 C ATOM 284 CD GLU A 18 -20.599 -6.616 -7.825 1.00 1.17 C ATOM 285 OE1 GLU A 18 -20.291 -7.767 -7.452 1.00 1.69 O ATOM 286 OE2 GLU A 18 -20.015 -6.037 -8.763 1.00 1.69 O ATOM 0 H GLU A 18 -20.825 -7.796 -4.706 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.680 -5.065 -3.858 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -21.859 -4.140 -5.844 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -20.211 -4.622 -6.191 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -22.411 -6.599 -6.697 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -22.236 -5.248 -7.800 1.00 0.70 H new ATOM 293 N THR A 19 -23.209 -5.142 -3.517 1.00 0.22 N ATOM 294 CA THR A 19 -24.560 -5.354 -3.025 1.00 0.32 C ATOM 295 C THR A 19 -25.323 -4.033 -3.037 1.00 0.29 C ATOM 296 O THR A 19 -24.736 -2.975 -3.287 1.00 0.31 O ATOM 297 CB THR A 19 -24.561 -5.959 -1.602 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.890 -6.363 -1.247 1.00 0.58 O ATOM 299 CG2 THR A 19 -24.040 -4.956 -0.568 1.00 0.45 C ATOM 0 H THR A 19 -22.847 -4.201 -3.360 1.00 0.22 H new ATOM 0 HA THR A 19 -25.053 -6.068 -3.685 1.00 0.32 H new ATOM 0 HB THR A 19 -23.898 -6.824 -1.605 1.00 0.44 H new ATOM 0 HG1 THR A 19 -25.885 -6.747 -0.345 1.00 0.58 H new ATOM 0 HG21 THR A 19 -24.054 -5.413 0.421 1.00 0.45 H new ATOM 0 HG22 THR A 19 -23.019 -4.670 -0.821 1.00 0.45 H new ATOM 0 HG23 THR A 19 -24.676 -4.071 -0.568 1.00 0.45 H new ATOM 307 N THR A 20 -26.619 -4.090 -2.766 1.00 0.27 N ATOM 308 CA THR A 20 -27.453 -2.901 -2.800 1.00 0.24 C ATOM 309 C THR A 20 -28.337 -2.789 -1.562 1.00 0.25 C ATOM 310 O THR A 20 -28.604 -3.783 -0.884 1.00 0.31 O ATOM 311 CB THR A 20 -28.349 -2.893 -4.058 1.00 0.30 C ATOM 312 OG1 THR A 20 -29.001 -4.167 -4.205 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.552 -2.584 -5.325 1.00 0.32 C ATOM 0 H THR A 20 -27.114 -4.947 -2.520 1.00 0.27 H new ATOM 0 HA THR A 20 -26.777 -2.047 -2.824 1.00 0.24 H new ATOM 0 HB THR A 20 -29.091 -2.105 -3.925 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.569 -4.154 -5.004 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.221 -2.588 -6.186 1.00 0.32 H new ATOM 0 HG22 THR A 20 -27.087 -1.603 -5.232 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.779 -3.340 -5.462 1.00 0.32 H new ATOM 321 N THR A 21 -28.774 -1.569 -1.273 1.00 0.23 N ATOM 322 CA THR A 21 -29.683 -1.319 -0.165 1.00 0.26 C ATOM 323 C THR A 21 -30.545 -0.097 -0.481 1.00 0.25 C ATOM 324 O THR A 21 -30.116 0.807 -1.209 1.00 0.26 O ATOM 325 CB THR A 21 -28.934 -1.115 1.186 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.854 -1.251 2.279 1.00 0.38 O ATOM 327 CG2 THR A 21 -28.269 0.268 1.271 1.00 0.28 C ATOM 0 H THR A 21 -28.510 -0.734 -1.795 1.00 0.23 H new ATOM 0 HA THR A 21 -30.313 -2.201 -0.047 1.00 0.26 H new ATOM 0 HB THR A 21 -28.156 -1.876 1.243 1.00 0.31 H new ATOM 0 HG1 THR A 21 -29.377 -1.123 3.126 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.758 0.368 2.229 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.547 0.375 0.462 1.00 0.28 H new ATOM 0 HG23 THR A 21 -29.030 1.044 1.183 1.00 0.28 H new ATOM 335 N GLU A 22 -31.770 -0.091 0.019 1.00 0.31 N ATOM 336 CA GLU A 22 -32.684 1.016 -0.221 1.00 0.36 C ATOM 337 C GLU A 22 -32.641 1.987 0.955 1.00 0.36 C ATOM 338 O GLU A 22 -33.218 1.713 2.010 1.00 0.58 O ATOM 339 CB GLU A 22 -34.105 0.487 -0.410 1.00 0.51 C ATOM 340 CG GLU A 22 -34.255 -0.461 -1.590 1.00 1.16 C ATOM 341 CD GLU A 22 -34.105 0.239 -2.926 1.00 1.77 C ATOM 342 OE1 GLU A 22 -32.978 0.297 -3.453 1.00 2.26 O ATOM 343 OE2 GLU A 22 -35.125 0.719 -3.460 1.00 2.24 O ATOM 0 H GLU A 22 -32.155 -0.840 0.594 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.379 1.540 -1.126 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.415 -0.028 0.499 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -34.782 1.331 -0.545 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -33.508 -1.251 -1.513 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -35.233 -0.940 -1.544 1.00 1.16 H new ATOM 350 N ALA A 23 -31.977 3.123 0.783 1.00 0.26 N ATOM 351 CA ALA A 23 -31.834 4.078 1.887 1.00 0.28 C ATOM 352 C ALA A 23 -32.702 5.315 1.640 1.00 0.31 C ATOM 353 O ALA A 23 -33.135 5.550 0.517 1.00 0.38 O ATOM 354 CB ALA A 23 -30.368 4.472 2.086 1.00 0.32 C ATOM 0 H ALA A 23 -31.535 3.407 -0.091 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.176 3.595 2.802 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -30.290 5.181 2.910 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -29.780 3.583 2.315 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.988 4.933 1.174 1.00 0.32 H new ATOM 360 N VAL A 24 -33.030 6.047 2.705 1.00 0.35 N ATOM 361 CA VAL A 24 -33.823 7.269 2.579 1.00 0.45 C ATOM 362 C VAL A 24 -32.960 8.516 2.772 1.00 0.49 C ATOM 363 O VAL A 24 -33.477 9.631 2.832 1.00 0.74 O ATOM 364 CB VAL A 24 -34.987 7.295 3.595 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.980 6.185 3.298 1.00 1.05 C ATOM 366 CG2 VAL A 24 -34.466 7.176 5.020 1.00 1.09 C ATOM 0 H VAL A 24 -32.760 5.816 3.661 1.00 0.35 H new ATOM 0 HA VAL A 24 -34.233 7.273 1.569 1.00 0.45 H new ATOM 0 HB VAL A 24 -35.499 8.252 3.498 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.792 6.220 4.024 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -36.384 6.317 2.294 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.477 5.220 3.362 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -35.304 7.197 5.717 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.924 6.237 5.132 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.796 8.009 5.233 1.00 1.09 H new ATOM 376 N ASP A 25 -31.648 8.318 2.869 1.00 0.39 N ATOM 377 CA ASP A 25 -30.709 9.417 3.065 1.00 0.45 C ATOM 378 C ASP A 25 -29.319 8.963 2.639 1.00 0.39 C ATOM 379 O ASP A 25 -29.081 7.766 2.490 1.00 0.35 O ATOM 380 CB ASP A 25 -30.694 9.867 4.527 1.00 0.54 C ATOM 381 CG ASP A 25 -30.608 11.375 4.673 1.00 1.25 C ATOM 382 OD1 ASP A 25 -31.439 11.960 5.397 1.00 1.51 O ATOM 383 OD2 ASP A 25 -29.706 11.983 4.057 1.00 2.13 O ATOM 0 H ASP A 25 -31.209 7.399 2.814 1.00 0.39 H new ATOM 0 HA ASP A 25 -31.022 10.266 2.458 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -31.596 9.509 5.023 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -29.847 9.408 5.036 1.00 0.54 H new ATOM 388 N ALA A 26 -28.397 9.901 2.497 1.00 0.44 N ATOM 389 CA ALA A 26 -27.055 9.579 2.022 1.00 0.46 C ATOM 390 C ALA A 26 -26.187 8.983 3.126 1.00 0.38 C ATOM 391 O ALA A 26 -25.722 7.850 3.007 1.00 0.37 O ATOM 392 CB ALA A 26 -26.391 10.816 1.431 1.00 0.59 C ATOM 0 H ALA A 26 -28.549 10.889 2.702 1.00 0.44 H new ATOM 0 HA ALA A 26 -27.156 8.823 1.243 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -25.391 10.560 1.081 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -26.985 11.183 0.594 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -26.321 11.591 2.194 1.00 0.59 H new ATOM 398 N ALA A 27 -26.018 9.723 4.218 1.00 0.39 N ATOM 399 CA ALA A 27 -25.174 9.290 5.332 1.00 0.38 C ATOM 400 C ALA A 27 -25.663 7.976 5.938 1.00 0.31 C ATOM 401 O ALA A 27 -24.883 7.225 6.526 1.00 0.32 O ATOM 402 CB ALA A 27 -25.116 10.370 6.402 1.00 0.48 C ATOM 0 H ALA A 27 -26.457 10.633 4.357 1.00 0.39 H new ATOM 0 HA ALA A 27 -24.172 9.120 4.937 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.485 10.034 7.224 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.701 11.283 5.975 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -26.121 10.568 6.774 1.00 0.48 H new ATOM 408 N THR A 28 -26.948 7.697 5.770 1.00 0.31 N ATOM 409 CA THR A 28 -27.540 6.469 6.286 1.00 0.30 C ATOM 410 C THR A 28 -26.988 5.244 5.549 1.00 0.24 C ATOM 411 O THR A 28 -26.856 4.167 6.131 1.00 0.28 O ATOM 412 CB THR A 28 -29.076 6.504 6.169 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.559 7.760 6.666 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.712 5.369 6.966 1.00 0.45 C ATOM 0 H THR A 28 -27.603 8.306 5.279 1.00 0.31 H new ATOM 0 HA THR A 28 -27.273 6.393 7.340 1.00 0.30 H new ATOM 0 HB THR A 28 -29.346 6.383 5.120 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.536 7.787 6.592 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.796 5.417 6.866 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.355 4.412 6.585 1.00 0.45 H new ATOM 0 HG23 THR A 28 -29.440 5.465 8.017 1.00 0.45 H new ATOM 422 N ALA A 29 -26.592 5.435 4.292 1.00 0.21 N ATOM 423 CA ALA A 29 -26.072 4.340 3.485 1.00 0.22 C ATOM 424 C ALA A 29 -24.665 3.981 3.934 1.00 0.21 C ATOM 425 O ALA A 29 -24.291 2.808 3.971 1.00 0.25 O ATOM 426 CB ALA A 29 -26.088 4.713 2.008 1.00 0.28 C ATOM 0 H ALA A 29 -26.622 6.336 3.814 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.712 3.468 3.622 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -25.696 3.884 1.419 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.111 4.927 1.698 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.468 5.596 1.849 1.00 0.28 H new ATOM 432 N GLU A 30 -23.915 5.001 4.323 1.00 0.19 N ATOM 433 CA GLU A 30 -22.552 4.826 4.805 1.00 0.20 C ATOM 434 C GLU A 30 -22.553 3.980 6.074 1.00 0.20 C ATOM 435 O GLU A 30 -22.026 2.870 6.092 1.00 0.23 O ATOM 436 CB GLU A 30 -21.925 6.192 5.110 1.00 0.24 C ATOM 437 CG GLU A 30 -20.406 6.174 5.136 1.00 0.35 C ATOM 438 CD GLU A 30 -19.818 7.323 5.932 1.00 0.50 C ATOM 439 OE1 GLU A 30 -19.472 7.112 7.115 1.00 1.14 O ATOM 440 OE2 GLU A 30 -19.697 8.438 5.389 1.00 1.29 O ATOM 0 H GLU A 30 -24.232 5.970 4.314 1.00 0.19 H new ATOM 0 HA GLU A 30 -21.970 4.323 4.033 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.258 6.910 4.361 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.292 6.543 6.074 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -20.066 5.231 5.563 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -20.029 6.216 4.114 1.00 0.35 H new ATOM 447 N LYS A 31 -23.242 4.488 7.095 1.00 0.20 N ATOM 448 CA LYS A 31 -23.311 3.855 8.413 1.00 0.24 C ATOM 449 C LYS A 31 -23.646 2.358 8.346 1.00 0.22 C ATOM 450 O LYS A 31 -23.042 1.551 9.055 1.00 0.26 O ATOM 451 CB LYS A 31 -24.352 4.570 9.282 1.00 0.29 C ATOM 452 CG LYS A 31 -24.116 6.066 9.425 1.00 0.39 C ATOM 453 CD LYS A 31 -22.792 6.368 10.114 1.00 1.10 C ATOM 454 CE LYS A 31 -22.791 5.917 11.567 1.00 1.86 C ATOM 455 NZ LYS A 31 -23.825 6.628 12.365 1.00 2.42 N ATOM 0 H LYS A 31 -23.772 5.357 7.031 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.318 3.944 8.854 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -25.341 4.408 8.854 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -24.356 4.117 10.273 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -24.127 6.531 8.439 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.932 6.509 9.996 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -21.983 5.870 9.579 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -22.594 7.439 10.066 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -22.970 4.843 11.615 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -21.808 6.096 12.003 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -23.635 6.493 13.379 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -23.800 7.643 12.140 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -24.765 6.246 12.135 1.00 2.42 H new ATOM 469 N VAL A 32 -24.576 1.981 7.478 1.00 0.20 N ATOM 470 CA VAL A 32 -24.992 0.587 7.378 1.00 0.22 C ATOM 471 C VAL A 32 -23.951 -0.252 6.645 1.00 0.18 C ATOM 472 O VAL A 32 -23.509 -1.282 7.155 1.00 0.20 O ATOM 473 CB VAL A 32 -26.355 0.448 6.669 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.758 -1.015 6.553 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.421 1.246 7.404 1.00 0.29 C ATOM 0 H VAL A 32 -25.054 2.615 6.837 1.00 0.20 H new ATOM 0 HA VAL A 32 -25.091 0.217 8.399 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.259 0.851 5.661 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.722 -1.088 6.050 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -26.006 -1.555 5.977 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.835 -1.451 7.549 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.376 1.137 6.890 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.514 0.875 8.425 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -27.138 2.298 7.424 1.00 0.29 H new ATOM 485 N PHE A 33 -23.524 0.213 5.476 1.00 0.16 N ATOM 486 CA PHE A 33 -22.538 -0.516 4.680 1.00 0.15 C ATOM 487 C PHE A 33 -21.194 -0.614 5.402 1.00 0.15 C ATOM 488 O PHE A 33 -20.398 -1.506 5.115 1.00 0.17 O ATOM 489 CB PHE A 33 -22.338 0.137 3.311 1.00 0.17 C ATOM 490 CG PHE A 33 -23.347 -0.273 2.267 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.889 0.665 1.399 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.744 -1.598 2.145 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.800 0.292 0.428 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.661 -1.977 1.176 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.187 -1.032 0.314 1.00 0.29 C ATOM 0 H PHE A 33 -23.842 1.087 5.058 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.930 -1.523 4.537 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.377 1.220 3.430 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.340 -0.108 2.949 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.595 1.701 1.483 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.334 -2.342 2.812 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -25.210 1.034 -0.242 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -24.964 -3.010 1.095 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.897 -1.326 -0.445 1.00 0.29 H new ATOM 505 N LYS A 34 -20.949 0.288 6.346 1.00 0.16 N ATOM 506 CA LYS A 34 -19.712 0.275 7.105 1.00 0.20 C ATOM 507 C LYS A 34 -19.696 -0.919 8.050 1.00 0.20 C ATOM 508 O LYS A 34 -18.688 -1.606 8.183 1.00 0.22 O ATOM 509 CB LYS A 34 -19.549 1.589 7.873 1.00 0.29 C ATOM 510 CG LYS A 34 -19.178 2.767 6.984 1.00 0.43 C ATOM 511 CD LYS A 34 -18.507 3.874 7.778 1.00 0.38 C ATOM 512 CE LYS A 34 -17.119 3.468 8.230 1.00 0.46 C ATOM 513 NZ LYS A 34 -16.506 4.500 9.099 1.00 1.09 N ATOM 0 H LYS A 34 -21.593 1.036 6.601 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.870 0.180 6.419 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.480 1.815 8.393 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.780 1.463 8.635 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -18.510 2.430 6.192 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -20.074 3.156 6.501 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.443 4.774 7.167 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -19.117 4.121 8.647 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -17.173 2.522 8.769 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.486 3.302 7.359 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -15.557 4.190 9.390 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -16.432 5.396 8.575 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -17.098 4.640 9.942 1.00 1.09 H new ATOM 527 N GLN A 35 -20.838 -1.181 8.669 1.00 0.21 N ATOM 528 CA GLN A 35 -21.009 -2.349 9.517 1.00 0.24 C ATOM 529 C GLN A 35 -20.908 -3.607 8.653 1.00 0.21 C ATOM 530 O GLN A 35 -20.332 -4.617 9.057 1.00 0.24 O ATOM 531 CB GLN A 35 -22.373 -2.284 10.234 1.00 0.32 C ATOM 532 CG GLN A 35 -22.829 -3.584 10.863 1.00 0.43 C ATOM 533 CD GLN A 35 -24.314 -3.821 10.675 1.00 1.28 C ATOM 534 OE1 GLN A 35 -24.738 -4.404 9.677 1.00 2.20 O ATOM 535 NE2 GLN A 35 -25.113 -3.384 11.632 1.00 1.82 N ATOM 0 H GLN A 35 -21.668 -0.592 8.597 1.00 0.21 H new ATOM 0 HA GLN A 35 -20.229 -2.375 10.278 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -22.322 -1.521 11.010 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -23.128 -1.960 9.517 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -22.272 -4.412 10.425 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.597 -3.572 11.928 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -24.722 -2.905 12.444 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -26.121 -3.525 11.559 1.00 1.82 H new ATOM 544 N TYR A 36 -21.398 -3.483 7.424 1.00 0.19 N ATOM 545 CA TYR A 36 -21.368 -4.560 6.448 1.00 0.18 C ATOM 546 C TYR A 36 -19.931 -4.905 6.066 1.00 0.17 C ATOM 547 O TYR A 36 -19.517 -6.059 6.168 1.00 0.19 O ATOM 548 CB TYR A 36 -22.172 -4.116 5.220 1.00 0.19 C ATOM 549 CG TYR A 36 -21.946 -4.932 3.972 1.00 0.21 C ATOM 550 CD1 TYR A 36 -21.259 -4.379 2.908 1.00 1.21 C ATOM 551 CD2 TYR A 36 -22.423 -6.229 3.846 1.00 1.11 C ATOM 552 CE1 TYR A 36 -21.046 -5.086 1.746 1.00 1.24 C ATOM 553 CE2 TYR A 36 -22.212 -6.953 2.685 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.520 -6.377 1.637 1.00 0.34 C ATOM 555 OH TYR A 36 -21.304 -7.089 0.478 1.00 0.42 O ATOM 0 H TYR A 36 -21.829 -2.626 7.078 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.812 -5.460 6.873 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.233 -4.150 5.469 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -21.928 -3.076 5.003 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -20.881 -3.371 2.990 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -22.966 -6.679 4.664 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -20.511 -4.633 0.925 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -22.586 -7.962 2.599 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.700 -7.981 0.564 1.00 0.42 H new ATOM 565 N ALA A 37 -19.168 -3.896 5.658 1.00 0.15 N ATOM 566 CA ALA A 37 -17.775 -4.091 5.268 1.00 0.16 C ATOM 567 C ALA A 37 -16.931 -4.504 6.469 1.00 0.18 C ATOM 568 O ALA A 37 -15.946 -5.235 6.336 1.00 0.22 O ATOM 569 CB ALA A 37 -17.218 -2.819 4.651 1.00 0.17 C ATOM 0 H ALA A 37 -19.492 -2.931 5.589 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.736 -4.890 4.527 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.178 -2.978 4.365 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -17.801 -2.557 3.768 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.274 -2.008 5.377 1.00 0.17 H new ATOM 575 N ASN A 38 -17.340 -4.041 7.642 1.00 0.20 N ATOM 576 CA ASN A 38 -16.632 -4.342 8.890 1.00 0.26 C ATOM 577 C ASN A 38 -16.705 -5.837 9.211 1.00 0.28 C ATOM 578 O ASN A 38 -15.811 -6.386 9.855 1.00 0.36 O ATOM 579 CB ASN A 38 -17.214 -3.512 10.055 1.00 0.31 C ATOM 580 CG ASN A 38 -16.433 -3.700 11.356 1.00 0.44 C ATOM 581 OD1 ASN A 38 -15.432 -3.019 11.590 1.00 1.03 O ATOM 582 ND2 ASN A 38 -16.888 -4.609 12.215 1.00 1.39 N ATOM 0 H ASN A 38 -18.164 -3.451 7.761 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.584 -4.072 8.760 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -17.210 -2.457 9.782 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.254 -3.796 10.215 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -16.405 -4.760 13.101 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -17.720 -5.154 11.988 1.00 1.39 H new ATOM 589 N ASP A 39 -17.740 -6.496 8.700 1.00 0.30 N ATOM 590 CA ASP A 39 -17.936 -7.922 8.938 1.00 0.38 C ATOM 591 C ASP A 39 -17.067 -8.785 8.030 1.00 0.33 C ATOM 592 O ASP A 39 -16.643 -9.869 8.430 1.00 0.41 O ATOM 593 CB ASP A 39 -19.405 -8.317 8.774 1.00 0.53 C ATOM 594 CG ASP A 39 -20.095 -8.495 10.107 1.00 1.14 C ATOM 595 OD1 ASP A 39 -19.663 -9.359 10.897 1.00 1.78 O ATOM 596 OD2 ASP A 39 -21.081 -7.772 10.367 1.00 1.77 O ATOM 0 H ASP A 39 -18.457 -6.064 8.117 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.632 -8.104 9.969 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -19.924 -7.552 8.196 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -19.470 -9.245 8.205 1.00 0.53 H new ATOM 601 N ASN A 40 -16.777 -8.316 6.818 1.00 0.28 N ATOM 602 CA ASN A 40 -15.958 -9.103 5.903 1.00 0.34 C ATOM 603 C ASN A 40 -14.488 -8.731 6.034 1.00 0.32 C ATOM 604 O ASN A 40 -13.616 -9.386 5.457 1.00 0.46 O ATOM 605 CB ASN A 40 -16.429 -8.981 4.443 1.00 0.42 C ATOM 606 CG ASN A 40 -16.909 -7.590 4.068 1.00 0.92 C ATOM 607 OD1 ASN A 40 -16.118 -6.716 3.733 1.00 1.78 O ATOM 608 ND2 ASN A 40 -18.217 -7.384 4.089 1.00 0.78 N ATOM 0 H ASN A 40 -17.089 -7.416 6.454 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.077 -10.148 6.188 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -15.609 -9.263 3.782 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -17.237 -9.693 4.271 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -18.595 -6.475 3.821 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -18.847 -8.134 4.373 1.00 0.78 H new ATOM 615 N GLY A 41 -14.221 -7.701 6.832 1.00 0.25 N ATOM 616 CA GLY A 41 -12.855 -7.295 7.106 1.00 0.33 C ATOM 617 C GLY A 41 -12.213 -6.525 5.972 1.00 0.28 C ATOM 618 O GLY A 41 -11.005 -6.623 5.764 1.00 0.37 O ATOM 0 H GLY A 41 -14.933 -7.137 7.297 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -12.841 -6.680 8.006 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.257 -8.181 7.317 1.00 0.33 H new ATOM 622 N VAL A 42 -13.006 -5.752 5.245 1.00 0.23 N ATOM 623 CA VAL A 42 -12.482 -4.951 4.163 1.00 0.26 C ATOM 624 C VAL A 42 -12.431 -3.487 4.567 1.00 0.36 C ATOM 625 O VAL A 42 -13.445 -2.894 4.940 1.00 0.46 O ATOM 626 CB VAL A 42 -13.317 -5.108 2.879 1.00 0.28 C ATOM 627 CG1 VAL A 42 -12.790 -4.182 1.789 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.297 -6.554 2.418 1.00 0.29 C ATOM 0 H VAL A 42 -14.012 -5.666 5.389 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.473 -5.306 3.954 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.349 -4.829 3.091 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -13.390 -4.304 0.887 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.851 -3.148 2.129 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -11.752 -4.431 1.571 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -13.890 -6.654 1.509 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.270 -6.857 2.216 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -13.716 -7.190 3.197 1.00 0.29 H new ATOM 638 N ASP A 43 -11.239 -2.923 4.533 1.00 0.42 N ATOM 639 CA ASP A 43 -11.060 -1.524 4.886 1.00 0.55 C ATOM 640 C ASP A 43 -10.192 -0.834 3.837 1.00 0.47 C ATOM 641 O ASP A 43 -9.219 -1.416 3.353 1.00 0.68 O ATOM 642 CB ASP A 43 -10.432 -1.373 6.280 1.00 0.80 C ATOM 643 CG ASP A 43 -10.458 0.065 6.761 1.00 1.29 C ATOM 644 OD1 ASP A 43 -11.566 0.601 6.982 1.00 1.86 O ATOM 645 OD2 ASP A 43 -9.379 0.660 6.936 1.00 1.80 O ATOM 0 H ASP A 43 -10.382 -3.408 4.266 1.00 0.42 H new ATOM 0 HA ASP A 43 -12.042 -1.051 4.912 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -10.969 -2.003 6.990 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -9.402 -1.728 6.254 1.00 0.80 H new ATOM 650 N GLY A 44 -10.560 0.383 3.466 1.00 0.43 N ATOM 651 CA GLY A 44 -9.834 1.102 2.448 1.00 0.37 C ATOM 652 C GLY A 44 -10.456 2.453 2.191 1.00 0.34 C ATOM 653 O GLY A 44 -11.299 2.898 2.969 1.00 0.38 O ATOM 0 H GLY A 44 -11.356 0.886 3.858 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -8.796 1.228 2.757 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -9.823 0.521 1.526 1.00 0.37 H new ATOM 657 N GLU A 45 -10.000 3.126 1.144 1.00 0.34 N ATOM 658 CA GLU A 45 -10.519 4.441 0.779 1.00 0.35 C ATOM 659 C GLU A 45 -12.018 4.357 0.466 1.00 0.29 C ATOM 660 O GLU A 45 -12.481 3.381 -0.137 1.00 0.43 O ATOM 661 CB GLU A 45 -9.742 4.972 -0.432 1.00 0.45 C ATOM 662 CG GLU A 45 -9.361 6.442 -0.327 1.00 1.27 C ATOM 663 CD GLU A 45 -10.553 7.375 -0.370 1.00 2.01 C ATOM 664 OE1 GLU A 45 -10.826 7.940 -1.448 1.00 2.79 O ATOM 665 OE2 GLU A 45 -11.208 7.558 0.675 1.00 2.57 O ATOM 0 H GLU A 45 -9.265 2.781 0.526 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.389 5.127 1.616 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -8.835 4.380 -0.557 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.344 4.826 -1.329 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -8.816 6.603 0.603 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -8.682 6.693 -1.142 1.00 1.27 H new ATOM 672 N TRP A 46 -12.760 5.393 0.850 1.00 0.22 N ATOM 673 CA TRP A 46 -14.206 5.433 0.647 1.00 0.24 C ATOM 674 C TRP A 46 -14.567 6.472 -0.404 1.00 0.28 C ATOM 675 O TRP A 46 -14.606 7.673 -0.132 1.00 0.41 O ATOM 676 CB TRP A 46 -14.956 5.727 1.960 1.00 0.31 C ATOM 677 CG TRP A 46 -15.320 4.487 2.725 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.448 3.645 3.350 1.00 0.32 C ATOM 679 CD2 TRP A 46 -16.638 3.943 2.950 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.128 2.615 3.946 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.471 2.775 3.719 1.00 0.31 C ATOM 682 CE3 TRP A 46 -17.945 4.323 2.586 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.547 1.990 4.125 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.006 3.540 2.993 1.00 0.32 C ATOM 685 CH2 TRP A 46 -18.802 2.389 3.758 1.00 0.35 C ATOM 0 H TRP A 46 -12.380 6.222 1.307 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.515 4.448 0.297 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.336 6.365 2.590 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -15.864 6.286 1.735 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.376 3.772 3.372 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -14.703 1.852 4.474 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.114 5.213 1.998 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.395 1.095 4.711 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.011 3.822 2.715 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -19.654 1.802 4.066 1.00 0.35 H new ATOM 696 N THR A 47 -14.834 5.995 -1.608 1.00 0.29 N ATOM 697 CA THR A 47 -15.168 6.858 -2.728 1.00 0.35 C ATOM 698 C THR A 47 -16.670 6.817 -3.016 1.00 0.31 C ATOM 699 O THR A 47 -17.357 5.872 -2.619 1.00 0.28 O ATOM 700 CB THR A 47 -14.374 6.449 -3.985 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.401 5.024 -4.151 1.00 0.53 O ATOM 702 CG2 THR A 47 -12.933 6.924 -3.887 1.00 0.63 C ATOM 0 H THR A 47 -14.825 5.001 -1.836 1.00 0.29 H new ATOM 0 HA THR A 47 -14.895 7.879 -2.460 1.00 0.35 H new ATOM 0 HB THR A 47 -14.843 6.919 -4.850 1.00 0.43 H new ATOM 0 HG1 THR A 47 -14.347 4.805 -5.105 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.390 6.625 -4.784 1.00 0.63 H new ATOM 0 HG22 THR A 47 -12.913 8.010 -3.796 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.461 6.478 -3.012 1.00 0.63 H new ATOM 710 N TYR A 48 -17.178 7.830 -3.717 1.00 0.38 N ATOM 711 CA TYR A 48 -18.608 7.908 -4.016 1.00 0.37 C ATOM 712 C TYR A 48 -18.845 8.587 -5.362 1.00 0.42 C ATOM 713 O TYR A 48 -18.132 9.518 -5.729 1.00 0.51 O ATOM 714 CB TYR A 48 -19.377 8.648 -2.893 1.00 0.41 C ATOM 715 CG TYR A 48 -20.801 9.058 -3.260 1.00 0.44 C ATOM 716 CD1 TYR A 48 -21.882 8.180 -3.111 1.00 1.14 C ATOM 717 CD2 TYR A 48 -21.062 10.332 -3.756 1.00 1.15 C ATOM 718 CE1 TYR A 48 -23.162 8.567 -3.446 1.00 1.18 C ATOM 719 CE2 TYR A 48 -22.347 10.718 -4.093 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.407 9.781 -3.925 1.00 0.61 C ATOM 721 OH TYR A 48 -24.669 10.212 -4.262 1.00 0.70 O ATOM 0 H TYR A 48 -16.625 8.603 -4.087 1.00 0.38 H new ATOM 0 HA TYR A 48 -18.990 6.889 -4.071 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.413 8.007 -2.012 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -18.817 9.540 -2.614 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -21.710 7.185 -2.728 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -20.248 11.031 -3.880 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -23.978 7.872 -3.317 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -22.543 11.709 -4.475 1.00 1.18 H new ATOM 0 HH TYR A 48 -24.623 11.134 -4.592 1.00 0.70 H new ATOM 731 N ASP A 49 -19.840 8.103 -6.099 1.00 0.42 N ATOM 732 CA ASP A 49 -20.202 8.708 -7.384 1.00 0.51 C ATOM 733 C ASP A 49 -21.693 9.025 -7.365 1.00 0.53 C ATOM 734 O ASP A 49 -22.481 8.266 -6.794 1.00 0.55 O ATOM 735 CB ASP A 49 -19.865 7.785 -8.573 1.00 0.57 C ATOM 736 CG ASP A 49 -19.875 8.532 -9.891 1.00 1.22 C ATOM 737 OD1 ASP A 49 -18.806 8.640 -10.528 1.00 2.07 O ATOM 738 OD2 ASP A 49 -20.949 9.014 -10.295 1.00 1.52 O ATOM 0 H ASP A 49 -20.409 7.299 -5.834 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.620 9.620 -7.518 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -18.884 7.337 -8.418 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.586 6.968 -8.614 1.00 0.57 H new ATOM 743 N ASP A 50 -22.088 10.120 -7.993 1.00 0.68 N ATOM 744 CA ASP A 50 -23.486 10.554 -7.929 1.00 0.76 C ATOM 745 C ASP A 50 -24.304 9.953 -9.063 1.00 0.73 C ATOM 746 O ASP A 50 -25.520 9.825 -8.958 1.00 0.84 O ATOM 747 CB ASP A 50 -23.587 12.087 -7.971 1.00 1.00 C ATOM 748 CG ASP A 50 -25.003 12.581 -7.744 1.00 1.56 C ATOM 749 OD1 ASP A 50 -25.422 12.659 -6.571 1.00 2.28 O ATOM 750 OD2 ASP A 50 -25.697 12.903 -8.732 1.00 2.15 O ATOM 0 H ASP A 50 -21.477 10.721 -8.546 1.00 0.68 H new ATOM 0 HA ASP A 50 -23.893 10.199 -6.982 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -22.931 12.512 -7.212 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -23.231 12.445 -8.937 1.00 1.00 H new ATOM 755 N ALA A 51 -23.632 9.528 -10.119 1.00 0.70 N ATOM 756 CA ALA A 51 -24.323 8.987 -11.282 1.00 0.78 C ATOM 757 C ALA A 51 -24.942 7.631 -10.986 1.00 0.75 C ATOM 758 O ALA A 51 -26.038 7.327 -11.455 1.00 0.91 O ATOM 759 CB ALA A 51 -23.379 8.888 -12.466 1.00 0.91 C ATOM 0 H ALA A 51 -22.615 9.546 -10.198 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.131 9.675 -11.532 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -23.914 8.482 -13.325 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -22.998 9.879 -12.711 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -22.546 8.232 -12.213 1.00 0.91 H new ATOM 765 N THR A 52 -24.263 6.833 -10.177 1.00 0.63 N ATOM 766 CA THR A 52 -24.739 5.495 -9.880 1.00 0.65 C ATOM 767 C THR A 52 -25.036 5.289 -8.394 1.00 0.55 C ATOM 768 O THR A 52 -25.376 4.177 -7.985 1.00 0.62 O ATOM 769 CB THR A 52 -23.711 4.450 -10.345 1.00 0.74 C ATOM 770 OG1 THR A 52 -22.412 4.794 -9.842 1.00 1.06 O ATOM 771 CG2 THR A 52 -23.663 4.365 -11.866 1.00 1.19 C ATOM 0 H THR A 52 -23.388 7.087 -9.719 1.00 0.63 H new ATOM 0 HA THR A 52 -25.676 5.369 -10.423 1.00 0.65 H new ATOM 0 HB THR A 52 -24.013 3.477 -9.956 1.00 0.74 H new ATOM 0 HG1 THR A 52 -22.204 4.235 -9.064 1.00 1.06 H new ATOM 0 HG21 THR A 52 -22.928 3.618 -12.166 1.00 1.19 H new ATOM 0 HG22 THR A 52 -24.644 4.081 -12.246 1.00 1.19 H new ATOM 0 HG23 THR A 52 -23.383 5.335 -12.276 1.00 1.19 H new ATOM 779 N LYS A 53 -24.913 6.356 -7.591 1.00 0.47 N ATOM 780 CA LYS A 53 -25.155 6.264 -6.132 1.00 0.46 C ATOM 781 C LYS A 53 -24.378 5.095 -5.547 1.00 0.39 C ATOM 782 O LYS A 53 -24.902 4.300 -4.762 1.00 0.49 O ATOM 783 CB LYS A 53 -26.650 6.093 -5.842 1.00 0.59 C ATOM 784 CG LYS A 53 -27.398 7.396 -5.591 1.00 0.81 C ATOM 785 CD LYS A 53 -27.121 8.440 -6.663 1.00 0.87 C ATOM 786 CE LYS A 53 -28.010 9.655 -6.491 1.00 1.57 C ATOM 787 NZ LYS A 53 -29.412 9.363 -6.875 1.00 2.08 N ATOM 0 H LYS A 53 -24.650 7.286 -7.917 1.00 0.47 H new ATOM 0 HA LYS A 53 -24.814 7.189 -5.668 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -27.114 5.579 -6.684 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.767 5.448 -4.971 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -28.469 7.195 -5.551 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -27.112 7.794 -4.617 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -26.075 8.743 -6.617 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -27.284 8.004 -7.649 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -27.978 9.986 -5.453 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -27.629 10.475 -7.099 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -29.942 10.254 -6.958 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -29.425 8.866 -7.788 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -29.853 8.764 -6.148 1.00 2.08 H new ATOM 801 N THR A 54 -23.116 5.012 -5.913 1.00 0.34 N ATOM 802 CA THR A 54 -22.294 3.894 -5.522 1.00 0.31 C ATOM 803 C THR A 54 -21.198 4.299 -4.541 1.00 0.28 C ATOM 804 O THR A 54 -20.401 5.201 -4.818 1.00 0.35 O ATOM 805 CB THR A 54 -21.635 3.242 -6.753 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.616 3.054 -7.778 1.00 0.51 O ATOM 807 CG2 THR A 54 -21.018 1.888 -6.392 1.00 0.41 C ATOM 0 H THR A 54 -22.639 5.710 -6.483 1.00 0.34 H new ATOM 0 HA THR A 54 -22.957 3.182 -5.030 1.00 0.31 H new ATOM 0 HB THR A 54 -20.844 3.902 -7.108 1.00 0.38 H new ATOM 0 HG1 THR A 54 -23.470 3.436 -7.487 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.560 1.449 -7.278 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.259 2.028 -5.622 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.796 1.222 -6.018 1.00 0.41 H new ATOM 815 N TYR A 55 -21.206 3.669 -3.380 1.00 0.21 N ATOM 816 CA TYR A 55 -20.118 3.810 -2.426 1.00 0.21 C ATOM 817 C TYR A 55 -19.083 2.752 -2.781 1.00 0.21 C ATOM 818 O TYR A 55 -19.434 1.602 -3.045 1.00 0.24 O ATOM 819 CB TYR A 55 -20.581 3.631 -0.959 1.00 0.24 C ATOM 820 CG TYR A 55 -21.262 4.853 -0.363 1.00 0.30 C ATOM 821 CD1 TYR A 55 -22.631 5.046 -0.528 1.00 1.14 C ATOM 822 CD2 TYR A 55 -20.553 5.802 0.365 1.00 1.06 C ATOM 823 CE1 TYR A 55 -23.270 6.146 0.017 1.00 1.19 C ATOM 824 CE2 TYR A 55 -21.185 6.903 0.908 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.477 7.112 0.724 1.00 0.56 C ATOM 826 OH TYR A 55 -23.170 8.167 1.280 1.00 0.70 O ATOM 0 H TYR A 55 -21.958 3.051 -3.073 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.710 4.819 -2.490 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.268 2.786 -0.908 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.716 3.377 -0.346 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -23.204 4.325 -1.091 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -19.490 5.676 0.508 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -24.337 6.274 -0.087 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -20.613 7.607 1.494 1.00 1.12 H new ATOM 0 HH TYR A 55 -23.949 7.826 1.767 1.00 0.70 H new ATOM 836 N THR A 56 -17.829 3.139 -2.893 1.00 0.24 N ATOM 837 CA THR A 56 -16.797 2.192 -3.281 1.00 0.29 C ATOM 838 C THR A 56 -15.655 2.161 -2.271 1.00 0.25 C ATOM 839 O THR A 56 -15.072 3.196 -1.940 1.00 0.28 O ATOM 840 CB THR A 56 -16.244 2.520 -4.687 1.00 0.38 C ATOM 841 OG1 THR A 56 -17.329 2.622 -5.614 1.00 0.96 O ATOM 842 CG2 THR A 56 -15.263 1.450 -5.162 1.00 0.74 C ATOM 0 H THR A 56 -17.500 4.089 -2.724 1.00 0.24 H new ATOM 0 HA THR A 56 -17.261 1.206 -3.304 1.00 0.29 H new ATOM 0 HB THR A 56 -15.710 3.469 -4.631 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.979 2.832 -6.505 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.893 1.710 -6.154 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.426 1.389 -4.466 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.769 0.486 -5.206 1.00 0.74 H new ATOM 850 N VAL A 57 -15.349 0.962 -1.782 1.00 0.24 N ATOM 851 CA VAL A 57 -14.243 0.769 -0.850 1.00 0.23 C ATOM 852 C VAL A 57 -13.170 -0.070 -1.541 1.00 0.24 C ATOM 853 O VAL A 57 -13.420 -1.198 -1.975 1.00 0.30 O ATOM 854 CB VAL A 57 -14.684 0.128 0.512 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.218 -1.292 0.350 1.00 0.28 C ATOM 856 CG2 VAL A 57 -13.528 0.146 1.502 1.00 0.27 C ATOM 0 H VAL A 57 -15.854 0.107 -2.017 1.00 0.24 H new ATOM 0 HA VAL A 57 -13.844 1.748 -0.586 1.00 0.23 H new ATOM 0 HB VAL A 57 -15.504 0.734 0.897 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -15.508 -1.685 1.324 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.086 -1.281 -0.310 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.443 -1.925 -0.081 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -13.848 -0.302 2.443 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -12.692 -0.423 1.095 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.215 1.175 1.678 1.00 0.27 H new ATOM 866 N THR A 58 -12.019 0.537 -1.761 1.00 0.26 N ATOM 867 CA THR A 58 -10.968 -0.111 -2.520 1.00 0.30 C ATOM 868 C THR A 58 -9.707 -0.302 -1.689 1.00 0.32 C ATOM 869 O THR A 58 -9.226 0.630 -1.041 1.00 0.36 O ATOM 870 CB THR A 58 -10.652 0.714 -3.786 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.858 1.331 -4.254 1.00 0.41 O ATOM 872 CG2 THR A 58 -10.082 -0.156 -4.904 1.00 0.52 C ATOM 0 H THR A 58 -11.789 1.473 -1.427 1.00 0.26 H new ATOM 0 HA THR A 58 -11.324 -1.100 -2.808 1.00 0.30 H new ATOM 0 HB THR A 58 -9.905 1.462 -3.521 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.665 1.858 -5.057 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.873 0.463 -5.776 1.00 0.52 H new ATOM 0 HG22 THR A 58 -9.159 -0.627 -4.564 1.00 0.52 H new ATOM 0 HG23 THR A 58 -10.806 -0.926 -5.170 1.00 0.52 H new ATOM 880 N GLU A 59 -9.208 -1.532 -1.676 1.00 0.35 N ATOM 881 CA GLU A 59 -7.974 -1.859 -0.964 1.00 0.42 C ATOM 882 C GLU A 59 -6.768 -1.444 -1.814 1.00 0.53 C ATOM 883 O GLU A 59 -6.877 -1.349 -3.041 1.00 0.75 O ATOM 884 CB GLU A 59 -7.868 -3.373 -0.641 1.00 0.44 C ATOM 885 CG GLU A 59 -8.921 -3.940 0.320 1.00 0.78 C ATOM 886 CD GLU A 59 -8.501 -5.285 0.886 1.00 1.79 C ATOM 887 OE1 GLU A 59 -7.899 -5.324 1.984 1.00 2.34 O ATOM 888 OE2 GLU A 59 -8.792 -6.316 0.247 1.00 2.56 O ATOM 0 H GLU A 59 -9.640 -2.324 -2.152 1.00 0.35 H new ATOM 0 HA GLU A 59 -7.986 -1.314 -0.020 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -7.926 -3.927 -1.578 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -6.882 -3.564 -0.219 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -9.084 -3.237 1.137 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -9.871 -4.046 -0.203 1.00 0.78 H new ATOM 895 N GLY A 60 -5.636 -1.163 -1.176 1.00 0.79 N ATOM 896 CA GLY A 60 -4.449 -0.777 -1.919 1.00 0.91 C ATOM 897 C GLY A 60 -3.590 0.200 -1.147 1.00 1.48 C ATOM 898 O GLY A 60 -4.009 0.710 -0.108 1.00 2.32 O ATOM 0 H GLY A 60 -5.519 -1.195 -0.163 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -3.864 -1.666 -2.155 1.00 0.91 H new ATOM 0 HA3 GLY A 60 -4.745 -0.329 -2.868 1.00 0.91 H new ATOM 902 N SER A 61 -2.389 0.457 -1.645 1.00 1.79 N ATOM 903 CA SER A 61 -1.474 1.373 -0.982 1.00 2.75 C ATOM 904 C SER A 61 -1.410 2.695 -1.736 1.00 2.84 C ATOM 905 O SER A 61 -1.280 3.762 -1.135 1.00 3.18 O ATOM 906 CB SER A 61 -0.082 0.740 -0.886 1.00 3.69 C ATOM 907 OG SER A 61 0.809 1.545 -0.132 1.00 4.41 O ATOM 0 H SER A 61 -2.026 0.045 -2.505 1.00 1.79 H new ATOM 0 HA SER A 61 -1.839 1.572 0.026 1.00 2.75 H new ATOM 0 HB2 SER A 61 -0.161 -0.245 -0.426 1.00 3.69 H new ATOM 0 HB3 SER A 61 0.320 0.592 -1.888 1.00 3.69 H new ATOM 0 HG SER A 61 1.632 1.044 0.046 1.00 4.41 H new ATOM 913 N GLY A 62 -1.494 2.618 -3.057 1.00 3.15 N ATOM 914 CA GLY A 62 -1.450 3.813 -3.876 1.00 3.63 C ATOM 915 C GLY A 62 -0.033 4.291 -4.125 1.00 4.11 C ATOM 916 O GLY A 62 0.399 4.392 -5.270 1.00 4.49 O ATOM 0 H GLY A 62 -1.592 1.746 -3.578 1.00 3.15 H new ATOM 0 HA2 GLY A 62 -1.936 3.614 -4.831 1.00 3.63 H new ATOM 0 HA3 GLY A 62 -2.018 4.606 -3.388 1.00 3.63 H new ATOM 920 N GLY A 63 0.688 4.602 -3.051 1.00 4.57 N ATOM 921 CA GLY A 63 2.059 5.058 -3.191 1.00 5.36 C ATOM 922 C GLY A 63 2.995 3.933 -3.578 1.00 5.56 C ATOM 923 O GLY A 63 3.887 4.108 -4.408 1.00 6.24 O ATOM 0 H GLY A 63 0.349 4.547 -2.091 1.00 4.57 H new ATOM 0 HA2 GLY A 63 2.104 5.843 -3.946 1.00 5.36 H new ATOM 0 HA3 GLY A 63 2.392 5.499 -2.252 1.00 5.36 H new ATOM 927 N ALA A 64 2.796 2.774 -2.970 1.00 5.28 N ATOM 928 CA ALA A 64 3.589 1.600 -3.292 1.00 5.82 C ATOM 929 C ALA A 64 2.987 0.879 -4.491 1.00 6.16 C ATOM 930 O ALA A 64 1.980 0.180 -4.366 1.00 6.23 O ATOM 931 CB ALA A 64 3.677 0.665 -2.092 1.00 6.29 C ATOM 0 H ALA A 64 2.090 2.622 -2.249 1.00 5.28 H new ATOM 0 HA ALA A 64 4.600 1.919 -3.546 1.00 5.82 H new ATOM 0 HB1 ALA A 64 4.275 -0.208 -2.354 1.00 6.29 H new ATOM 0 HB2 ALA A 64 4.144 1.187 -1.257 1.00 6.29 H new ATOM 0 HB3 ALA A 64 2.675 0.346 -1.805 1.00 6.29 H new ATOM 937 N GLY A 65 3.564 1.100 -5.662 1.00 6.75 N ATOM 938 CA GLY A 65 3.048 0.485 -6.866 1.00 7.43 C ATOM 939 C GLY A 65 4.121 0.291 -7.911 1.00 8.04 C ATOM 940 O GLY A 65 3.881 0.482 -9.101 1.00 8.41 O ATOM 0 H GLY A 65 4.381 1.695 -5.800 1.00 6.75 H new ATOM 0 HA2 GLY A 65 2.605 -0.480 -6.618 1.00 7.43 H new ATOM 0 HA3 GLY A 65 2.251 1.105 -7.276 1.00 7.43 H new ATOM 944 N GLY A 66 5.314 -0.070 -7.460 1.00 8.36 N ATOM 945 CA GLY A 66 6.415 -0.282 -8.377 1.00 9.12 C ATOM 946 C GLY A 66 6.445 -1.694 -8.911 1.00 9.70 C ATOM 947 O GLY A 66 7.051 -1.957 -9.949 1.00 10.44 O ATOM 0 H GLY A 66 5.539 -0.220 -6.476 1.00 8.36 H new ATOM 0 HA2 GLY A 66 6.334 0.418 -9.209 1.00 9.12 H new ATOM 0 HA3 GLY A 66 7.355 -0.067 -7.870 1.00 9.12 H new ATOM 951 N GLN A 67 5.814 -2.607 -8.173 1.00 9.54 N ATOM 952 CA GLN A 67 5.732 -4.014 -8.562 1.00 10.26 C ATOM 953 C GLN A 67 7.110 -4.672 -8.572 1.00 10.54 C ATOM 954 O GLN A 67 8.064 -4.153 -7.994 1.00 10.70 O ATOM 955 CB GLN A 67 5.061 -4.164 -9.933 1.00 10.71 C ATOM 956 CG GLN A 67 3.608 -3.716 -9.948 1.00 11.09 C ATOM 957 CD GLN A 67 2.944 -3.978 -11.284 1.00 11.64 C ATOM 958 OE1 GLN A 67 3.591 -3.948 -12.333 1.00 11.68 O ATOM 959 NE2 GLN A 67 1.652 -4.258 -11.260 1.00 12.25 N ATOM 0 H GLN A 67 5.347 -2.393 -7.292 1.00 9.54 H new ATOM 0 HA GLN A 67 5.120 -4.523 -7.817 1.00 10.26 H new ATOM 0 HB2 GLN A 67 5.620 -3.584 -10.668 1.00 10.71 H new ATOM 0 HB3 GLN A 67 5.115 -5.208 -10.243 1.00 10.71 H new ATOM 0 HG2 GLN A 67 3.060 -4.238 -9.163 1.00 11.09 H new ATOM 0 HG3 GLN A 67 3.555 -2.651 -9.720 1.00 11.09 H new ATOM 0 HE21 GLN A 67 1.150 -4.273 -10.372 1.00 12.25 H new ATOM 0 HE22 GLN A 67 1.157 -4.459 -12.129 1.00 12.25 H new ATOM 968 N GLY A 68 7.197 -5.837 -9.189 1.00 10.79 N ATOM 969 CA GLY A 68 8.451 -6.549 -9.250 1.00 11.26 C ATOM 970 C GLY A 68 8.236 -8.051 -9.221 1.00 11.69 C ATOM 971 O GLY A 68 7.543 -8.590 -10.088 1.00 11.72 O ATOM 0 H GLY A 68 6.417 -6.304 -9.651 1.00 10.79 H new ATOM 0 HA2 GLY A 68 8.984 -6.274 -10.160 1.00 11.26 H new ATOM 0 HA3 GLY A 68 9.080 -6.254 -8.410 1.00 11.26 H new ATOM 975 N MET A 69 8.778 -8.730 -8.216 1.00 12.22 N ATOM 976 CA MET A 69 8.599 -10.170 -8.094 1.00 12.82 C ATOM 977 C MET A 69 8.630 -10.558 -6.621 1.00 13.10 C ATOM 978 O MET A 69 9.061 -9.771 -5.781 1.00 13.24 O ATOM 979 CB MET A 69 9.687 -10.921 -8.887 1.00 13.26 C ATOM 980 CG MET A 69 9.402 -12.407 -9.083 1.00 13.52 C ATOM 981 SD MET A 69 10.700 -13.246 -10.017 1.00 14.03 S ATOM 982 CE MET A 69 12.099 -13.005 -8.925 1.00 14.29 C ATOM 0 H MET A 69 9.342 -8.308 -7.478 1.00 12.22 H new ATOM 0 HA MET A 69 7.633 -10.451 -8.513 1.00 12.82 H new ATOM 0 HB2 MET A 69 9.798 -10.451 -9.864 1.00 13.26 H new ATOM 0 HB3 MET A 69 10.640 -10.810 -8.370 1.00 13.26 H new ATOM 0 HG2 MET A 69 9.294 -12.884 -8.109 1.00 13.52 H new ATOM 0 HG3 MET A 69 8.451 -12.525 -9.603 1.00 13.52 H new ATOM 0 HE1 MET A 69 12.818 -13.811 -9.071 1.00 14.29 H new ATOM 0 HE2 MET A 69 12.575 -12.050 -9.148 1.00 14.29 H new ATOM 0 HE3 MET A 69 11.757 -13.007 -7.890 1.00 14.29 H new ATOM 992 N ILE A 70 8.167 -11.757 -6.310 1.00 13.36 N ATOM 993 CA ILE A 70 8.119 -12.223 -4.934 1.00 13.79 C ATOM 994 C ILE A 70 8.573 -13.679 -4.880 1.00 14.28 C ATOM 995 O ILE A 70 7.794 -14.585 -5.188 1.00 14.51 O ATOM 996 CB ILE A 70 6.693 -12.112 -4.324 1.00 13.60 C ATOM 997 CG1 ILE A 70 6.228 -10.656 -4.326 1.00 13.34 C ATOM 998 CG2 ILE A 70 6.653 -12.681 -2.896 1.00 14.13 C ATOM 999 CD1 ILE A 70 4.807 -10.471 -3.838 1.00 13.69 C ATOM 0 H ILE A 70 7.818 -12.428 -6.994 1.00 13.36 H new ATOM 0 HA ILE A 70 8.782 -11.587 -4.347 1.00 13.79 H new ATOM 0 HB ILE A 70 6.016 -12.702 -4.942 1.00 13.60 H new ATOM 0 HG12 ILE A 70 6.898 -10.069 -3.698 1.00 13.34 H new ATOM 0 HG13 ILE A 70 6.310 -10.259 -5.338 1.00 13.34 H new ATOM 0 HG21 ILE A 70 5.643 -12.589 -2.496 1.00 14.13 H new ATOM 0 HG22 ILE A 70 6.942 -13.732 -2.915 1.00 14.13 H new ATOM 0 HG23 ILE A 70 7.346 -12.126 -2.264 1.00 14.13 H new ATOM 0 HD11 ILE A 70 4.547 -9.413 -3.867 1.00 13.69 H new ATOM 0 HD12 ILE A 70 4.126 -11.030 -4.480 1.00 13.69 H new ATOM 0 HD13 ILE A 70 4.723 -10.837 -2.815 1.00 13.69 H new ATOM 1011 N GLN A 71 9.850 -13.899 -4.590 1.00 14.61 N ATOM 1012 CA GLN A 71 10.396 -15.246 -4.514 1.00 15.25 C ATOM 1013 C GLN A 71 10.953 -15.496 -3.127 1.00 16.12 C ATOM 1014 O GLN A 71 11.574 -16.530 -2.849 1.00 16.80 O ATOM 1015 CB GLN A 71 11.482 -15.450 -5.570 1.00 15.18 C ATOM 1016 CG GLN A 71 12.640 -14.469 -5.453 1.00 15.42 C ATOM 1017 CD GLN A 71 13.789 -14.802 -6.382 1.00 15.46 C ATOM 1018 OE1 GLN A 71 14.481 -13.909 -6.870 1.00 15.61 O ATOM 1019 NE2 GLN A 71 14.017 -16.086 -6.617 1.00 15.48 N ATOM 0 H GLN A 71 10.527 -13.159 -4.403 1.00 14.61 H new ATOM 0 HA GLN A 71 9.596 -15.960 -4.710 1.00 15.25 H new ATOM 0 HB2 GLN A 71 11.868 -16.466 -5.490 1.00 15.18 H new ATOM 0 HB3 GLN A 71 11.036 -15.356 -6.560 1.00 15.18 H new ATOM 0 HG2 GLN A 71 12.281 -13.463 -5.672 1.00 15.42 H new ATOM 0 HG3 GLN A 71 13.001 -14.461 -4.425 1.00 15.42 H new ATOM 0 HE21 GLN A 71 13.420 -16.796 -6.193 1.00 15.48 H new ATOM 0 HE22 GLN A 71 14.790 -16.364 -7.222 1.00 15.48 H new ATOM 1028 N GLU A 72 10.702 -14.539 -2.264 1.00 16.21 N ATOM 1029 CA GLU A 72 11.150 -14.589 -0.887 1.00 17.08 C ATOM 1030 C GLU A 72 10.254 -15.525 -0.077 1.00 17.64 C ATOM 1031 O GLU A 72 9.099 -15.753 -0.437 1.00 17.36 O ATOM 1032 CB GLU A 72 11.156 -13.172 -0.282 1.00 17.12 C ATOM 1033 CG GLU A 72 12.111 -12.198 -0.974 1.00 16.82 C ATOM 1034 CD GLU A 72 11.503 -11.463 -2.161 1.00 16.87 C ATOM 1035 OE1 GLU A 72 11.304 -12.090 -3.226 1.00 16.46 O ATOM 1036 OE2 GLU A 72 11.251 -10.242 -2.039 1.00 17.42 O ATOM 0 H GLU A 72 10.177 -13.696 -2.497 1.00 16.21 H new ATOM 0 HA GLU A 72 12.167 -14.979 -0.855 1.00 17.08 H new ATOM 0 HB2 GLU A 72 10.145 -12.766 -0.327 1.00 17.12 H new ATOM 0 HB3 GLU A 72 11.426 -13.240 0.772 1.00 17.12 H new ATOM 0 HG2 GLU A 72 12.455 -11.465 -0.245 1.00 16.82 H new ATOM 0 HG3 GLU A 72 12.989 -12.747 -1.313 1.00 16.82 H new ATOM 1043 N PRO A 73 10.804 -16.145 0.977 1.00 18.53 N ATOM 1044 CA PRO A 73 10.058 -17.073 1.837 1.00 19.22 C ATOM 1045 C PRO A 73 8.894 -16.421 2.569 1.00 19.49 C ATOM 1046 O PRO A 73 8.681 -15.207 2.490 1.00 19.26 O ATOM 1047 CB PRO A 73 11.090 -17.537 2.866 1.00 20.10 C ATOM 1048 CG PRO A 73 12.179 -16.514 2.808 1.00 20.05 C ATOM 1049 CD PRO A 73 12.209 -16.025 1.393 1.00 19.04 C ATOM 0 HA PRO A 73 9.618 -17.870 1.238 1.00 19.22 H new ATOM 0 HB2 PRO A 73 10.655 -17.594 3.864 1.00 20.10 H new ATOM 0 HB3 PRO A 73 11.468 -18.531 2.626 1.00 20.10 H new ATOM 0 HG2 PRO A 73 11.983 -15.695 3.500 1.00 20.05 H new ATOM 0 HG3 PRO A 73 13.138 -16.948 3.092 1.00 20.05 H new ATOM 0 HD2 PRO A 73 12.564 -14.996 1.328 1.00 19.04 H new ATOM 0 HD3 PRO A 73 12.868 -16.629 0.770 1.00 19.04 H new ATOM 1057 N ALA A 74 8.220 -17.226 3.374 1.00 20.11 N ATOM 1058 CA ALA A 74 7.082 -16.759 4.129 1.00 20.56 C ATOM 1059 C ALA A 74 7.228 -17.096 5.610 1.00 20.94 C ATOM 1060 O ALA A 74 8.243 -17.657 6.035 1.00 20.85 O ATOM 1061 CB ALA A 74 5.798 -17.344 3.557 1.00 20.34 C ATOM 0 H ALA A 74 8.447 -18.210 3.518 1.00 20.11 H new ATOM 0 HA ALA A 74 7.034 -15.673 4.045 1.00 20.56 H new ATOM 0 HB1 ALA A 74 4.946 -16.985 4.134 1.00 20.34 H new ATOM 0 HB2 ALA A 74 5.689 -17.034 2.518 1.00 20.34 H new ATOM 0 HB3 ALA A 74 5.839 -18.432 3.609 1.00 20.34 H new ATOM 1067 N LEU A 75 6.215 -16.744 6.390 1.00 21.47 N ATOM 1068 CA LEU A 75 6.227 -16.991 7.824 1.00 21.98 C ATOM 1069 C LEU A 75 5.785 -18.416 8.132 1.00 22.04 C ATOM 1070 O LEU A 75 4.865 -18.927 7.486 1.00 21.90 O ATOM 1071 CB LEU A 75 5.307 -16.004 8.549 1.00 22.62 C ATOM 1072 CG LEU A 75 5.960 -14.689 8.980 1.00 22.85 C ATOM 1073 CD1 LEU A 75 7.082 -14.951 9.971 1.00 22.94 C ATOM 1074 CD2 LEU A 75 6.493 -13.934 7.778 1.00 22.46 C ATOM 0 H LEU A 75 5.370 -16.284 6.051 1.00 21.47 H new ATOM 0 HA LEU A 75 7.249 -16.853 8.176 1.00 21.98 H new ATOM 0 HB2 LEU A 75 4.464 -15.774 7.897 1.00 22.62 H new ATOM 0 HB3 LEU A 75 4.901 -16.495 9.434 1.00 22.62 H new ATOM 0 HG LEU A 75 5.199 -14.077 9.464 1.00 22.85 H new ATOM 0 HD11 LEU A 75 7.535 -14.005 10.266 1.00 22.94 H new ATOM 0 HD12 LEU A 75 6.680 -15.452 10.852 1.00 22.94 H new ATOM 0 HD13 LEU A 75 7.837 -15.585 9.506 1.00 22.94 H new ATOM 0 HD21 LEU A 75 6.953 -13.002 8.108 1.00 22.46 H new ATOM 0 HD22 LEU A 75 7.237 -14.544 7.266 1.00 22.46 H new ATOM 0 HD23 LEU A 75 5.673 -13.712 7.095 1.00 22.46 H new ATOM 1086 N PRO A 76 6.484 -19.116 9.044 1.00 22.33 N ATOM 1087 CA PRO A 76 6.077 -20.458 9.486 1.00 22.55 C ATOM 1088 C PRO A 76 4.746 -20.392 10.237 1.00 23.16 C ATOM 1089 O PRO A 76 4.380 -19.329 10.738 1.00 23.54 O ATOM 1090 CB PRO A 76 7.209 -20.886 10.451 1.00 22.90 C ATOM 1091 CG PRO A 76 8.363 -20.019 10.093 1.00 22.69 C ATOM 1092 CD PRO A 76 7.748 -18.695 9.674 1.00 22.58 C ATOM 0 HA PRO A 76 5.936 -21.151 8.656 1.00 22.55 H new ATOM 0 HB2 PRO A 76 6.916 -20.745 11.491 1.00 22.90 H new ATOM 0 HB3 PRO A 76 7.454 -21.941 10.329 1.00 22.90 H new ATOM 0 HG2 PRO A 76 9.037 -19.890 10.940 1.00 22.69 H new ATOM 0 HG3 PRO A 76 8.948 -20.456 9.284 1.00 22.69 H new ATOM 0 HD2 PRO A 76 7.577 -18.039 10.527 1.00 22.58 H new ATOM 0 HD3 PRO A 76 8.388 -18.153 8.978 1.00 22.58 H new ATOM 1100 N PRO A 77 4.007 -21.511 10.356 1.00 23.33 N ATOM 1101 CA PRO A 77 2.719 -21.517 11.062 1.00 24.01 C ATOM 1102 C PRO A 77 2.892 -21.114 12.523 1.00 24.77 C ATOM 1103 O PRO A 77 3.755 -21.637 13.230 1.00 25.03 O ATOM 1104 CB PRO A 77 2.250 -22.970 10.935 1.00 24.14 C ATOM 1105 CG PRO A 77 3.510 -23.731 10.794 1.00 23.57 C ATOM 1106 CD PRO A 77 4.380 -22.868 9.912 1.00 23.01 C ATOM 0 HA PRO A 77 2.003 -20.806 10.650 1.00 24.01 H new ATOM 0 HB2 PRO A 77 1.686 -23.287 11.812 1.00 24.14 H new ATOM 0 HB3 PRO A 77 1.600 -23.107 10.071 1.00 24.14 H new ATOM 0 HG2 PRO A 77 3.978 -23.906 11.763 1.00 23.57 H new ATOM 0 HG3 PRO A 77 3.335 -24.708 10.344 1.00 23.57 H new ATOM 0 HD2 PRO A 77 5.441 -23.070 10.061 1.00 23.01 H new ATOM 0 HD3 PRO A 77 4.171 -23.024 8.854 1.00 23.01 H new ATOM 1114 N GLY A 78 2.096 -20.154 12.953 1.00 25.21 N ATOM 1115 CA GLY A 78 2.218 -19.644 14.301 1.00 26.01 C ATOM 1116 C GLY A 78 2.970 -18.323 14.361 1.00 25.92 C ATOM 1117 O GLY A 78 2.735 -17.519 15.267 1.00 26.59 O ATOM 0 H GLY A 78 1.365 -19.716 12.393 1.00 25.21 H new ATOM 0 HA2 GLY A 78 1.223 -19.511 14.727 1.00 26.01 H new ATOM 0 HA3 GLY A 78 2.733 -20.380 14.919 1.00 26.01 H new ATOM 1121 N TRP A 79 3.891 -18.100 13.423 1.00 25.19 N ATOM 1122 CA TRP A 79 4.635 -16.836 13.375 1.00 25.16 C ATOM 1123 C TRP A 79 3.867 -15.809 12.538 1.00 24.97 C ATOM 1124 O TRP A 79 3.576 -16.059 11.369 1.00 24.43 O ATOM 1125 CB TRP A 79 6.028 -17.038 12.758 1.00 24.58 C ATOM 1126 CG TRP A 79 6.972 -17.823 13.617 1.00 24.92 C ATOM 1127 CD1 TRP A 79 7.045 -19.181 13.731 1.00 24.92 C ATOM 1128 CD2 TRP A 79 7.989 -17.291 14.473 1.00 25.44 C ATOM 1129 NE1 TRP A 79 8.043 -19.525 14.610 1.00 25.41 N ATOM 1130 CE2 TRP A 79 8.637 -18.382 15.079 1.00 25.73 C ATOM 1131 CE3 TRP A 79 8.414 -15.995 14.787 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 9.686 -18.219 15.981 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 9.454 -15.834 15.680 1.00 26.34 C ATOM 1134 CH2 TRP A 79 10.080 -16.940 16.268 1.00 26.61 C ATOM 0 H TRP A 79 4.140 -18.768 12.693 1.00 25.19 H new ATOM 0 HA TRP A 79 4.749 -16.476 14.398 1.00 25.16 H new ATOM 0 HB2 TRP A 79 5.919 -17.546 11.800 1.00 24.58 H new ATOM 0 HB3 TRP A 79 6.467 -16.062 12.553 1.00 24.58 H new ATOM 0 HD1 TRP A 79 6.412 -19.882 13.207 1.00 24.92 H new ATOM 0 HE1 TRP A 79 8.300 -20.477 14.871 1.00 25.41 H new ATOM 0 HE3 TRP A 79 7.937 -15.136 14.339 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 10.170 -19.070 16.437 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 9.791 -14.839 15.929 1.00 26.34 H new ATOM 0 HH2 TRP A 79 10.891 -16.780 16.963 1.00 26.61 H new ATOM 1145 N GLU A 80 3.530 -14.661 13.117 1.00 25.51 N ATOM 1146 CA GLU A 80 2.796 -13.648 12.375 1.00 25.50 C ATOM 1147 C GLU A 80 3.671 -12.434 12.099 1.00 25.52 C ATOM 1148 O GLU A 80 4.529 -12.079 12.907 1.00 25.91 O ATOM 1149 CB GLU A 80 1.541 -13.218 13.140 1.00 26.28 C ATOM 1150 CG GLU A 80 0.627 -14.371 13.498 1.00 26.33 C ATOM 1151 CD GLU A 80 -0.789 -13.917 13.761 1.00 26.69 C ATOM 1152 OE1 GLU A 80 -1.709 -14.440 13.099 1.00 26.95 O ATOM 1153 OE2 GLU A 80 -0.987 -13.023 14.613 1.00 26.80 O ATOM 0 H GLU A 80 3.750 -14.413 14.082 1.00 25.51 H new ATOM 0 HA GLU A 80 2.497 -14.087 11.423 1.00 25.50 H new ATOM 0 HB2 GLU A 80 1.840 -12.705 14.054 1.00 26.28 H new ATOM 0 HB3 GLU A 80 0.986 -12.499 12.537 1.00 26.28 H new ATOM 0 HG2 GLU A 80 0.628 -15.099 12.687 1.00 26.33 H new ATOM 0 HG3 GLU A 80 1.014 -14.878 14.382 1.00 26.33 H new ATOM 1160 N MET A 81 3.403 -11.772 10.985 1.00 25.18 N ATOM 1161 CA MET A 81 4.162 -10.595 10.584 1.00 25.27 C ATOM 1162 C MET A 81 3.232 -9.384 10.444 1.00 25.77 C ATOM 1163 O MET A 81 2.244 -9.439 9.708 1.00 25.60 O ATOM 1164 CB MET A 81 4.902 -10.881 9.274 1.00 24.50 C ATOM 1165 CG MET A 81 5.197 -9.649 8.442 1.00 24.68 C ATOM 1166 SD MET A 81 6.179 -10.024 6.973 1.00 24.52 S ATOM 1167 CE MET A 81 5.973 -8.517 6.027 1.00 24.27 C ATOM 0 H MET A 81 2.660 -12.031 10.337 1.00 25.18 H new ATOM 0 HA MET A 81 4.899 -10.361 11.352 1.00 25.27 H new ATOM 0 HB2 MET A 81 5.842 -11.384 9.503 1.00 24.50 H new ATOM 0 HB3 MET A 81 4.307 -11.573 8.678 1.00 24.50 H new ATOM 0 HG2 MET A 81 4.258 -9.186 8.139 1.00 24.68 H new ATOM 0 HG3 MET A 81 5.729 -8.920 9.054 1.00 24.68 H new ATOM 0 HE1 MET A 81 6.524 -8.598 5.090 1.00 24.27 H new ATOM 0 HE2 MET A 81 4.915 -8.363 5.814 1.00 24.27 H new ATOM 0 HE3 MET A 81 6.355 -7.672 6.600 1.00 24.27 H new ATOM 1177 N LYS A 82 3.561 -8.286 11.125 1.00 26.46 N ATOM 1178 CA LYS A 82 2.708 -7.094 11.121 1.00 27.08 C ATOM 1179 C LYS A 82 3.593 -5.835 11.124 1.00 27.55 C ATOM 1180 O LYS A 82 4.776 -5.914 11.462 1.00 27.58 O ATOM 1181 CB LYS A 82 1.738 -7.099 12.337 1.00 27.79 C ATOM 1182 CG LYS A 82 0.907 -8.379 12.507 1.00 27.45 C ATOM 1183 CD LYS A 82 -0.148 -8.210 13.598 1.00 28.23 C ATOM 1184 CE LYS A 82 -0.955 -9.483 13.827 1.00 28.14 C ATOM 1185 NZ LYS A 82 -0.255 -10.443 14.711 1.00 28.22 N ATOM 0 H LYS A 82 4.409 -8.196 11.685 1.00 26.46 H new ATOM 0 HA LYS A 82 2.096 -7.096 10.219 1.00 27.08 H new ATOM 0 HB2 LYS A 82 2.319 -6.939 13.245 1.00 27.79 H new ATOM 0 HB3 LYS A 82 1.057 -6.253 12.241 1.00 27.79 H new ATOM 0 HG2 LYS A 82 0.422 -8.629 11.564 1.00 27.45 H new ATOM 0 HG3 LYS A 82 1.564 -9.212 12.758 1.00 27.45 H new ATOM 0 HD2 LYS A 82 0.339 -7.919 14.529 1.00 28.23 H new ATOM 0 HD3 LYS A 82 -0.823 -7.399 13.325 1.00 28.23 H new ATOM 0 HE2 LYS A 82 -1.919 -9.225 14.266 1.00 28.14 H new ATOM 0 HE3 LYS A 82 -1.159 -9.958 12.868 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 -0.663 -11.391 14.586 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 0.756 -10.466 14.467 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 -0.365 -10.146 15.702 1.00 28.22 H new ATOM 1199 N TYR A 83 3.051 -4.702 10.680 1.00 27.96 N ATOM 1200 CA TYR A 83 3.828 -3.452 10.612 1.00 28.50 C ATOM 1201 C TYR A 83 3.353 -2.428 11.638 1.00 29.50 C ATOM 1202 O TYR A 83 2.250 -2.535 12.181 1.00 29.77 O ATOM 1203 CB TYR A 83 3.700 -2.806 9.221 1.00 28.32 C ATOM 1204 CG TYR A 83 4.338 -3.570 8.084 1.00 27.47 C ATOM 1205 CD1 TYR A 83 5.659 -3.337 7.730 1.00 27.19 C ATOM 1206 CD2 TYR A 83 3.605 -4.483 7.336 1.00 27.03 C ATOM 1207 CE1 TYR A 83 6.234 -3.991 6.658 1.00 26.48 C ATOM 1208 CE2 TYR A 83 4.177 -5.150 6.270 1.00 26.32 C ATOM 1209 CZ TYR A 83 5.489 -4.898 5.934 1.00 26.04 C ATOM 1210 OH TYR A 83 6.052 -5.542 4.856 1.00 25.39 O ATOM 0 H TYR A 83 2.085 -4.617 10.363 1.00 27.96 H new ATOM 0 HA TYR A 83 4.863 -3.724 10.820 1.00 28.50 H new ATOM 0 HB2 TYR A 83 2.641 -2.675 8.997 1.00 28.32 H new ATOM 0 HB3 TYR A 83 4.143 -1.811 9.260 1.00 28.32 H new ATOM 0 HD1 TYR A 83 6.247 -2.634 8.301 1.00 27.19 H new ATOM 0 HD2 TYR A 83 2.573 -4.674 7.592 1.00 27.03 H new ATOM 0 HE1 TYR A 83 7.261 -3.793 6.388 1.00 26.48 H new ATOM 0 HE2 TYR A 83 3.599 -5.865 5.703 1.00 26.32 H new ATOM 0 HH TYR A 83 5.394 -6.148 4.457 1.00 25.39 H new ATOM 1220 N THR A 84 4.205 -1.440 11.907 1.00 30.09 N ATOM 1221 CA THR A 84 3.825 -0.309 12.737 1.00 31.09 C ATOM 1222 C THR A 84 3.565 0.882 11.808 1.00 31.47 C ATOM 1223 O THR A 84 3.839 0.797 10.609 1.00 30.98 O ATOM 1224 CB THR A 84 4.916 0.064 13.778 1.00 31.69 C ATOM 1225 OG1 THR A 84 5.941 0.862 13.172 1.00 31.75 O ATOM 1226 CG2 THR A 84 5.557 -1.178 14.381 1.00 31.35 C ATOM 0 H THR A 84 5.163 -1.404 11.559 1.00 30.09 H new ATOM 0 HA THR A 84 2.935 -0.577 13.306 1.00 31.09 H new ATOM 0 HB THR A 84 4.424 0.631 14.568 1.00 31.69 H new ATOM 0 HG1 THR A 84 6.266 1.523 13.818 1.00 31.75 H new ATOM 0 HG21 THR A 84 6.316 -0.881 15.105 1.00 31.35 H new ATOM 0 HG22 THR A 84 4.794 -1.776 14.880 1.00 31.35 H new ATOM 0 HG23 THR A 84 6.021 -1.768 13.591 1.00 31.35 H new ATOM 1234 N SER A 85 3.125 2.009 12.347 1.00 32.40 N ATOM 1235 CA SER A 85 2.811 3.166 11.512 1.00 32.91 C ATOM 1236 C SER A 85 4.063 3.963 11.126 1.00 33.07 C ATOM 1237 O SER A 85 3.970 5.023 10.512 1.00 33.44 O ATOM 1238 CB SER A 85 1.803 4.063 12.227 1.00 33.91 C ATOM 1239 OG SER A 85 2.121 4.199 13.603 1.00 34.32 O ATOM 0 H SER A 85 2.977 2.150 13.346 1.00 32.40 H new ATOM 0 HA SER A 85 2.374 2.795 10.585 1.00 32.91 H new ATOM 0 HB2 SER A 85 1.789 5.046 11.756 1.00 33.91 H new ATOM 0 HB3 SER A 85 0.802 3.645 12.122 1.00 33.91 H new ATOM 0 HG SER A 85 3.047 4.505 13.696 1.00 34.32 H new ATOM 1245 N GLU A 86 5.232 3.424 11.444 1.00 32.82 N ATOM 1246 CA GLU A 86 6.495 4.094 11.128 1.00 33.03 C ATOM 1247 C GLU A 86 7.210 3.327 10.024 1.00 32.13 C ATOM 1248 O GLU A 86 8.290 3.718 9.580 1.00 32.23 O ATOM 1249 CB GLU A 86 7.415 4.178 12.364 1.00 33.61 C ATOM 1250 CG GLU A 86 6.779 4.807 13.596 1.00 34.45 C ATOM 1251 CD GLU A 86 5.861 3.850 14.326 1.00 34.93 C ATOM 1252 OE1 GLU A 86 6.374 2.922 14.987 1.00 34.87 O ATOM 1253 OE2 GLU A 86 4.629 4.007 14.232 1.00 35.43 O ATOM 0 H GLU A 86 5.337 2.528 11.919 1.00 32.82 H new ATOM 0 HA GLU A 86 6.268 5.109 10.802 1.00 33.03 H new ATOM 0 HB2 GLU A 86 7.749 3.172 12.619 1.00 33.61 H new ATOM 0 HB3 GLU A 86 8.303 4.751 12.099 1.00 33.61 H new ATOM 0 HG2 GLU A 86 7.563 5.142 14.275 1.00 34.45 H new ATOM 0 HG3 GLU A 86 6.215 5.691 13.299 1.00 34.45 H new ATOM 1260 N GLY A 87 6.586 2.241 9.580 1.00 31.30 N ATOM 1261 CA GLY A 87 7.181 1.407 8.555 1.00 30.42 C ATOM 1262 C GLY A 87 8.051 0.312 9.144 1.00 30.02 C ATOM 1263 O GLY A 87 8.728 -0.415 8.414 1.00 29.44 O ATOM 0 H GLY A 87 5.676 1.924 9.914 1.00 31.30 H new ATOM 0 HA2 GLY A 87 6.393 0.958 7.951 1.00 30.42 H new ATOM 0 HA3 GLY A 87 7.780 2.026 7.887 1.00 30.42 H new ATOM 1267 N VAL A 88 8.022 0.179 10.466 1.00 30.40 N ATOM 1268 CA VAL A 88 8.829 -0.818 11.151 1.00 30.17 C ATOM 1269 C VAL A 88 8.152 -2.186 11.115 1.00 29.38 C ATOM 1270 O VAL A 88 6.933 -2.295 11.250 1.00 29.40 O ATOM 1271 CB VAL A 88 9.117 -0.402 12.614 1.00 31.05 C ATOM 1272 CG1 VAL A 88 9.922 -1.472 13.338 1.00 30.89 C ATOM 1273 CG2 VAL A 88 9.855 0.931 12.653 1.00 31.86 C ATOM 0 H VAL A 88 7.446 0.752 11.083 1.00 30.40 H new ATOM 0 HA VAL A 88 9.780 -0.886 10.623 1.00 30.17 H new ATOM 0 HB VAL A 88 8.162 -0.290 13.127 1.00 31.05 H new ATOM 0 HG11 VAL A 88 10.110 -1.154 14.363 1.00 30.89 H new ATOM 0 HG12 VAL A 88 9.361 -2.407 13.345 1.00 30.89 H new ATOM 0 HG13 VAL A 88 10.872 -1.622 12.825 1.00 30.89 H new ATOM 0 HG21 VAL A 88 10.050 1.209 13.689 1.00 31.86 H new ATOM 0 HG22 VAL A 88 10.800 0.839 12.118 1.00 31.86 H new ATOM 0 HG23 VAL A 88 9.244 1.699 12.180 1.00 31.86 H new ATOM 1283 N ARG A 89 8.960 -3.215 10.914 1.00 28.74 N ATOM 1284 CA ARG A 89 8.483 -4.586 10.804 1.00 27.99 C ATOM 1285 C ARG A 89 8.673 -5.334 12.125 1.00 28.23 C ATOM 1286 O ARG A 89 9.804 -5.528 12.566 1.00 28.54 O ATOM 1287 CB ARG A 89 9.281 -5.283 9.695 1.00 27.21 C ATOM 1288 CG ARG A 89 8.778 -6.662 9.301 1.00 26.48 C ATOM 1289 CD ARG A 89 9.677 -7.258 8.226 1.00 25.83 C ATOM 1290 NE ARG A 89 9.126 -8.485 7.650 1.00 25.29 N ATOM 1291 CZ ARG A 89 9.839 -9.357 6.935 1.00 24.70 C ATOM 1292 NH1 ARG A 89 11.152 -9.199 6.794 1.00 24.55 N ATOM 1293 NH2 ARG A 89 9.243 -10.416 6.397 1.00 24.34 N ATOM 0 H ARG A 89 9.972 -3.123 10.822 1.00 28.74 H new ATOM 0 HA ARG A 89 7.419 -4.584 10.568 1.00 27.99 H new ATOM 0 HB2 ARG A 89 9.275 -4.646 8.811 1.00 27.21 H new ATOM 0 HB3 ARG A 89 10.319 -5.371 10.017 1.00 27.21 H new ATOM 0 HG2 ARG A 89 8.760 -7.314 10.174 1.00 26.48 H new ATOM 0 HG3 ARG A 89 7.754 -6.593 8.933 1.00 26.48 H new ATOM 0 HD2 ARG A 89 9.826 -6.524 7.434 1.00 25.83 H new ATOM 0 HD3 ARG A 89 10.657 -7.470 8.653 1.00 25.83 H new ATOM 0 HE ARG A 89 8.138 -8.686 7.804 1.00 25.29 H new ATOM 0 HH11 ARG A 89 11.621 -8.407 7.234 1.00 24.55 H new ATOM 0 HH12 ARG A 89 11.690 -9.870 6.246 1.00 24.55 H new ATOM 0 HH21 ARG A 89 8.242 -10.561 6.531 1.00 24.34 H new ATOM 0 HH22 ARG A 89 9.786 -11.084 5.850 1.00 24.34 H new ATOM 1307 N TYR A 90 7.579 -5.745 12.759 1.00 28.18 N ATOM 1308 CA TYR A 90 7.680 -6.505 14.006 1.00 28.46 C ATOM 1309 C TYR A 90 6.965 -7.846 13.840 1.00 27.80 C ATOM 1310 O TYR A 90 6.098 -7.979 12.973 1.00 27.31 O ATOM 1311 CB TYR A 90 7.134 -5.725 15.221 1.00 29.43 C ATOM 1312 CG TYR A 90 5.633 -5.535 15.278 1.00 29.57 C ATOM 1313 CD1 TYR A 90 5.017 -4.557 14.505 1.00 29.65 C ATOM 1314 CD2 TYR A 90 4.832 -6.351 16.063 1.00 29.70 C ATOM 1315 CE1 TYR A 90 3.645 -4.398 14.515 1.00 29.86 C ATOM 1316 CE2 TYR A 90 3.458 -6.193 16.081 1.00 29.91 C ATOM 1317 CZ TYR A 90 2.886 -5.160 15.462 1.00 30.05 C ATOM 1318 OH TYR A 90 1.506 -5.064 15.304 1.00 30.27 O ATOM 0 H TYR A 90 6.626 -5.570 12.439 1.00 28.18 H new ATOM 0 HA TYR A 90 8.736 -6.680 14.212 1.00 28.46 H new ATOM 0 HB2 TYR A 90 7.448 -6.242 16.128 1.00 29.43 H new ATOM 0 HB3 TYR A 90 7.604 -4.742 15.235 1.00 29.43 H new ATOM 0 HD1 TYR A 90 5.622 -3.911 13.886 1.00 29.65 H new ATOM 0 HD2 TYR A 90 5.287 -7.121 16.669 1.00 29.70 H new ATOM 0 HE1 TYR A 90 3.159 -3.720 13.830 1.00 29.86 H new ATOM 0 HE2 TYR A 90 2.843 -6.913 16.601 1.00 29.91 H new ATOM 0 HH TYR A 90 1.060 -5.611 15.984 1.00 30.27 H new ATOM 1328 N PHE A 91 7.335 -8.852 14.631 1.00 27.84 N ATOM 1329 CA PHE A 91 6.744 -10.171 14.480 1.00 27.29 C ATOM 1330 C PHE A 91 6.059 -10.618 15.753 1.00 27.91 C ATOM 1331 O PHE A 91 6.403 -10.185 16.855 1.00 28.69 O ATOM 1332 CB PHE A 91 7.793 -11.202 14.041 1.00 26.81 C ATOM 1333 CG PHE A 91 8.287 -10.972 12.633 1.00 26.08 C ATOM 1334 CD1 PHE A 91 7.717 -11.666 11.574 1.00 25.34 C ATOM 1335 CD2 PHE A 91 9.306 -10.061 12.358 1.00 26.22 C ATOM 1336 CE1 PHE A 91 8.148 -11.459 10.281 1.00 24.76 C ATOM 1337 CE2 PHE A 91 9.735 -9.856 11.065 1.00 25.66 C ATOM 1338 CZ PHE A 91 9.155 -10.555 10.026 1.00 24.89 C ATOM 0 H PHE A 91 8.032 -8.777 15.372 1.00 27.84 H new ATOM 0 HA PHE A 91 5.988 -10.100 13.698 1.00 27.29 H new ATOM 0 HB2 PHE A 91 8.639 -11.168 14.728 1.00 26.81 H new ATOM 0 HB3 PHE A 91 7.365 -12.202 14.112 1.00 26.81 H new ATOM 0 HD1 PHE A 91 6.927 -12.376 11.766 1.00 25.34 H new ATOM 0 HD2 PHE A 91 9.764 -9.511 13.167 1.00 26.22 H new ATOM 0 HE1 PHE A 91 7.695 -12.006 9.467 1.00 24.76 H new ATOM 0 HE2 PHE A 91 10.526 -9.148 10.864 1.00 25.66 H new ATOM 0 HZ PHE A 91 9.491 -10.393 9.012 1.00 24.89 H new ATOM 1348 N VAL A 92 5.078 -11.477 15.579 1.00 27.61 N ATOM 1349 CA VAL A 92 4.281 -11.974 16.679 1.00 28.23 C ATOM 1350 C VAL A 92 4.443 -13.476 16.805 1.00 27.94 C ATOM 1351 O VAL A 92 3.946 -14.222 15.963 1.00 27.26 O ATOM 1352 CB VAL A 92 2.788 -11.648 16.453 1.00 28.37 C ATOM 1353 CG1 VAL A 92 1.925 -12.096 17.619 1.00 29.13 C ATOM 1354 CG2 VAL A 92 2.590 -10.167 16.200 1.00 28.67 C ATOM 0 H VAL A 92 4.810 -11.851 14.669 1.00 27.61 H new ATOM 0 HA VAL A 92 4.624 -11.490 17.593 1.00 28.23 H new ATOM 0 HB VAL A 92 2.472 -12.204 15.570 1.00 28.37 H new ATOM 0 HG11 VAL A 92 0.883 -11.847 17.417 1.00 29.13 H new ATOM 0 HG12 VAL A 92 2.022 -13.174 17.750 1.00 29.13 H new ATOM 0 HG13 VAL A 92 2.250 -11.589 18.528 1.00 29.13 H new ATOM 0 HG21 VAL A 92 1.531 -9.963 16.044 1.00 28.67 H new ATOM 0 HG22 VAL A 92 2.946 -9.600 17.060 1.00 28.67 H new ATOM 0 HG23 VAL A 92 3.151 -9.871 15.313 1.00 28.67 H new ATOM 1364 N ASP A 93 5.214 -13.913 17.789 1.00 28.50 N ATOM 1365 CA ASP A 93 5.358 -15.340 18.050 1.00 28.42 C ATOM 1366 C ASP A 93 4.122 -15.789 18.831 1.00 28.86 C ATOM 1367 O ASP A 93 3.814 -15.215 19.880 1.00 29.70 O ATOM 1368 CB ASP A 93 6.635 -15.630 18.847 1.00 29.01 C ATOM 1369 CG ASP A 93 6.735 -17.085 19.244 1.00 28.68 C ATOM 1370 OD1 ASP A 93 6.146 -17.462 20.275 1.00 28.33 O ATOM 1371 OD2 ASP A 93 7.410 -17.854 18.528 1.00 28.82 O ATOM 0 H ASP A 93 5.745 -13.308 18.415 1.00 28.50 H new ATOM 0 HA ASP A 93 5.439 -15.887 17.111 1.00 28.42 H new ATOM 0 HB2 ASP A 93 7.505 -15.356 18.250 1.00 29.01 H new ATOM 0 HB3 ASP A 93 6.653 -15.008 19.742 1.00 29.01 H new ATOM 1376 N HIS A 94 3.402 -16.793 18.339 1.00 28.36 N ATOM 1377 CA HIS A 94 2.130 -17.143 18.940 1.00 28.81 C ATOM 1378 C HIS A 94 2.256 -18.146 20.090 1.00 29.31 C ATOM 1379 O HIS A 94 1.292 -18.345 20.831 1.00 29.90 O ATOM 1380 CB HIS A 94 1.178 -17.681 17.873 1.00 28.18 C ATOM 1381 CG HIS A 94 -0.268 -17.539 18.233 1.00 28.49 C ATOM 1382 ND1 HIS A 94 -1.165 -18.576 18.168 1.00 28.32 N ATOM 1383 CD2 HIS A 94 -0.970 -16.460 18.646 1.00 29.05 C ATOM 1384 CE1 HIS A 94 -2.359 -18.142 18.518 1.00 28.75 C ATOM 1385 NE2 HIS A 94 -2.266 -16.860 18.818 1.00 29.20 N ATOM 0 H HIS A 94 3.675 -17.366 17.541 1.00 28.36 H new ATOM 0 HA HIS A 94 1.727 -16.227 19.373 1.00 28.81 H new ATOM 0 HB2 HIS A 94 1.363 -17.157 16.935 1.00 28.18 H new ATOM 0 HB3 HIS A 94 1.399 -18.734 17.699 1.00 28.18 H new ATOM 0 HD2 HIS A 94 -0.580 -15.466 18.810 1.00 29.05 H new ATOM 0 HE1 HIS A 94 -3.261 -18.735 18.553 1.00 28.75 H new ATOM 0 HE2 HIS A 94 -3.035 -16.265 19.127 1.00 29.20 H new ATOM 1394 N ASN A 95 3.419 -18.775 20.259 1.00 29.17 N ATOM 1395 CA ASN A 95 3.563 -19.753 21.341 1.00 29.71 C ATOM 1396 C ASN A 95 4.030 -19.085 22.637 1.00 30.73 C ATOM 1397 O ASN A 95 3.573 -19.447 23.722 1.00 31.42 O ATOM 1398 CB ASN A 95 4.484 -20.934 20.947 1.00 29.28 C ATOM 1399 CG ASN A 95 5.951 -20.568 20.819 1.00 29.19 C ATOM 1400 OD1 ASN A 95 6.691 -20.555 21.800 1.00 29.80 O ATOM 1401 ND2 ASN A 95 6.391 -20.321 19.598 1.00 28.49 N ATOM 0 H ASN A 95 4.249 -18.634 19.684 1.00 29.17 H new ATOM 0 HA ASN A 95 2.574 -20.174 21.521 1.00 29.71 H new ATOM 0 HB2 ASN A 95 4.382 -21.723 21.692 1.00 29.28 H new ATOM 0 HB3 ASN A 95 4.141 -21.346 19.998 1.00 29.28 H new ATOM 0 HD21 ASN A 95 7.377 -20.110 19.444 1.00 28.49 H new ATOM 0 HD22 ASN A 95 5.745 -20.341 18.809 1.00 28.49 H new ATOM 1408 N THR A 96 4.902 -18.085 22.536 1.00 30.87 N ATOM 1409 CA THR A 96 5.352 -17.366 23.718 1.00 31.86 C ATOM 1410 C THR A 96 4.434 -16.179 23.990 1.00 32.23 C ATOM 1411 O THR A 96 4.403 -15.647 25.100 1.00 33.14 O ATOM 1412 CB THR A 96 6.815 -16.874 23.591 1.00 31.96 C ATOM 1413 OG1 THR A 96 6.997 -16.145 22.368 1.00 31.19 O ATOM 1414 CG2 THR A 96 7.808 -18.035 23.655 1.00 32.02 C ATOM 0 H THR A 96 5.305 -17.759 21.658 1.00 30.87 H new ATOM 0 HA THR A 96 5.313 -18.067 24.552 1.00 31.86 H new ATOM 0 HB THR A 96 7.010 -16.214 24.436 1.00 31.96 H new ATOM 0 HG1 THR A 96 6.910 -16.756 21.607 1.00 31.19 H new ATOM 0 HG21 THR A 96 8.824 -17.651 23.562 1.00 32.02 H new ATOM 0 HG22 THR A 96 7.701 -18.553 24.608 1.00 32.02 H new ATOM 0 HG23 THR A 96 7.608 -18.730 22.840 1.00 32.02 H new ATOM 1422 N ARG A 97 3.685 -15.775 22.955 1.00 31.56 N ATOM 1423 CA ARG A 97 2.728 -14.663 23.058 1.00 31.87 C ATOM 1424 C ARG A 97 3.465 -13.398 23.437 1.00 32.27 C ATOM 1425 O ARG A 97 3.036 -12.611 24.280 1.00 33.03 O ATOM 1426 CB ARG A 97 1.623 -14.984 24.057 1.00 32.70 C ATOM 1427 CG ARG A 97 0.870 -16.239 23.679 1.00 32.43 C ATOM 1428 CD ARG A 97 -0.155 -16.632 24.724 1.00 33.36 C ATOM 1429 NE ARG A 97 0.447 -16.889 26.033 1.00 33.97 N ATOM 1430 CZ ARG A 97 -0.160 -17.564 27.007 1.00 34.73 C ATOM 1431 NH1 ARG A 97 -1.382 -18.060 26.819 1.00 35.00 N ATOM 1432 NH2 ARG A 97 0.459 -17.737 28.170 1.00 35.29 N ATOM 0 H ARG A 97 3.724 -16.205 22.031 1.00 31.56 H new ATOM 0 HA ARG A 97 2.250 -14.512 22.090 1.00 31.87 H new ATOM 0 HB2 ARG A 97 2.055 -15.105 25.050 1.00 32.70 H new ATOM 0 HB3 ARG A 97 0.928 -14.146 24.112 1.00 32.70 H new ATOM 0 HG2 ARG A 97 0.370 -16.086 22.723 1.00 32.43 H new ATOM 0 HG3 ARG A 97 1.577 -17.057 23.542 1.00 32.43 H new ATOM 0 HD2 ARG A 97 -0.895 -15.838 24.818 1.00 33.36 H new ATOM 0 HD3 ARG A 97 -0.685 -17.524 24.390 1.00 33.36 H new ATOM 0 HE ARG A 97 1.385 -16.530 26.209 1.00 33.97 H new ATOM 0 HH11 ARG A 97 -1.856 -17.923 25.926 1.00 35.00 H new ATOM 0 HH12 ARG A 97 -1.844 -18.577 27.568 1.00 35.00 H new ATOM 0 HH21 ARG A 97 1.393 -17.354 28.312 1.00 35.29 H new ATOM 0 HH22 ARG A 97 -0.000 -18.253 28.920 1.00 35.29 H new ATOM 1446 N THR A 98 4.586 -13.237 22.773 1.00 31.75 N ATOM 1447 CA THR A 98 5.480 -12.098 22.981 1.00 32.09 C ATOM 1448 C THR A 98 5.892 -11.528 21.612 1.00 31.35 C ATOM 1449 O THR A 98 6.023 -12.287 20.650 1.00 30.48 O ATOM 1450 CB THR A 98 6.745 -12.519 23.783 1.00 32.35 C ATOM 1451 OG1 THR A 98 6.352 -13.328 24.899 1.00 32.15 O ATOM 1452 CG2 THR A 98 7.525 -11.306 24.302 1.00 32.59 C ATOM 0 H THR A 98 4.915 -13.893 22.065 1.00 31.75 H new ATOM 0 HA THR A 98 4.954 -11.338 23.559 1.00 32.09 H new ATOM 0 HB THR A 98 7.394 -13.077 23.108 1.00 32.35 H new ATOM 0 HG1 THR A 98 7.147 -13.596 25.405 1.00 32.15 H new ATOM 0 HG21 THR A 98 8.400 -11.646 24.856 1.00 32.59 H new ATOM 0 HG22 THR A 98 7.845 -10.692 23.460 1.00 32.59 H new ATOM 0 HG23 THR A 98 6.886 -10.717 24.959 1.00 32.59 H new ATOM 1460 N THR A 99 6.012 -10.205 21.492 1.00 31.74 N ATOM 1461 CA THR A 99 6.408 -9.601 20.227 1.00 31.18 C ATOM 1462 C THR A 99 7.936 -9.508 20.129 1.00 31.15 C ATOM 1463 O THR A 99 8.610 -9.271 21.133 1.00 31.92 O ATOM 1464 CB THR A 99 5.796 -8.188 20.087 1.00 31.73 C ATOM 1465 OG1 THR A 99 5.774 -7.550 21.374 1.00 32.77 O ATOM 1466 CG2 THR A 99 4.369 -8.240 19.522 1.00 31.59 C ATOM 0 H THR A 99 5.842 -9.541 22.248 1.00 31.74 H new ATOM 0 HA THR A 99 6.037 -10.233 19.420 1.00 31.18 H new ATOM 0 HB THR A 99 6.414 -7.621 19.391 1.00 31.73 H new ATOM 0 HG1 THR A 99 5.388 -6.653 21.288 1.00 32.77 H new ATOM 0 HG21 THR A 99 3.974 -7.228 19.439 1.00 31.59 H new ATOM 0 HG22 THR A 99 4.385 -8.706 18.537 1.00 31.59 H new ATOM 0 HG23 THR A 99 3.735 -8.824 20.189 1.00 31.59 H new ATOM 1474 N THR A 100 8.484 -9.716 18.934 1.00 30.32 N ATOM 1475 CA THR A 100 9.920 -9.652 18.747 1.00 30.31 C ATOM 1476 C THR A 100 10.260 -9.215 17.323 1.00 29.79 C ATOM 1477 O THR A 100 9.441 -9.343 16.411 1.00 29.19 O ATOM 1478 CB THR A 100 10.584 -11.015 19.058 1.00 29.94 C ATOM 1479 OG1 THR A 100 12.014 -10.881 19.060 1.00 30.23 O ATOM 1480 CG2 THR A 100 10.165 -12.071 18.044 1.00 28.90 C ATOM 0 H THR A 100 7.954 -9.929 18.089 1.00 30.32 H new ATOM 0 HA THR A 100 10.313 -8.912 19.444 1.00 30.31 H new ATOM 0 HB THR A 100 10.251 -11.335 20.045 1.00 29.94 H new ATOM 0 HG1 THR A 100 12.424 -11.749 19.259 1.00 30.23 H new ATOM 0 HG21 THR A 100 10.646 -13.019 18.286 1.00 28.90 H new ATOM 0 HG22 THR A 100 9.083 -12.195 18.074 1.00 28.90 H new ATOM 0 HG23 THR A 100 10.466 -11.756 17.045 1.00 28.90 H new ATOM 1488 N PHE A 101 11.441 -8.634 17.159 1.00 30.11 N ATOM 1489 CA PHE A 101 11.923 -8.210 15.852 1.00 29.74 C ATOM 1490 C PHE A 101 12.888 -9.258 15.304 1.00 29.28 C ATOM 1491 O PHE A 101 14.052 -9.320 15.710 1.00 29.75 O ATOM 1492 CB PHE A 101 12.631 -6.855 15.950 1.00 30.55 C ATOM 1493 CG PHE A 101 11.728 -5.723 16.365 1.00 30.86 C ATOM 1494 CD1 PHE A 101 11.299 -4.791 15.437 1.00 30.67 C ATOM 1495 CD2 PHE A 101 11.319 -5.586 17.683 1.00 31.41 C ATOM 1496 CE1 PHE A 101 10.480 -3.746 15.812 1.00 31.03 C ATOM 1497 CE2 PHE A 101 10.497 -4.544 18.064 1.00 31.76 C ATOM 1498 CZ PHE A 101 10.077 -3.622 17.125 1.00 31.57 C ATOM 0 H PHE A 101 12.089 -8.444 17.924 1.00 30.11 H new ATOM 0 HA PHE A 101 11.071 -8.106 15.180 1.00 29.74 H new ATOM 0 HB2 PHE A 101 13.450 -6.935 16.665 1.00 30.55 H new ATOM 0 HB3 PHE A 101 13.075 -6.617 14.983 1.00 30.55 H new ATOM 0 HD1 PHE A 101 11.609 -4.883 14.406 1.00 30.67 H new ATOM 0 HD2 PHE A 101 11.647 -6.303 18.421 1.00 31.41 H new ATOM 0 HE1 PHE A 101 10.154 -3.025 15.077 1.00 31.03 H new ATOM 0 HE2 PHE A 101 10.183 -4.450 19.093 1.00 31.76 H new ATOM 0 HZ PHE A 101 9.434 -2.805 17.419 1.00 31.57 H new ATOM 1508 N LYS A 102 12.403 -10.100 14.407 1.00 28.42 N ATOM 1509 CA LYS A 102 13.214 -11.184 13.880 1.00 27.96 C ATOM 1510 C LYS A 102 13.128 -11.254 12.358 1.00 27.32 C ATOM 1511 O LYS A 102 12.122 -11.695 11.802 1.00 26.80 O ATOM 1512 CB LYS A 102 12.766 -12.511 14.502 1.00 27.61 C ATOM 1513 CG LYS A 102 13.787 -13.629 14.362 1.00 27.94 C ATOM 1514 CD LYS A 102 15.086 -13.286 15.082 1.00 27.68 C ATOM 1515 CE LYS A 102 14.873 -13.069 16.573 1.00 27.51 C ATOM 1516 NZ LYS A 102 16.138 -12.715 17.268 1.00 27.73 N ATOM 0 H LYS A 102 11.456 -10.054 14.030 1.00 28.42 H new ATOM 0 HA LYS A 102 14.255 -10.994 14.142 1.00 27.96 H new ATOM 0 HB2 LYS A 102 12.556 -12.353 15.560 1.00 27.61 H new ATOM 0 HB3 LYS A 102 11.832 -12.824 14.035 1.00 27.61 H new ATOM 0 HG2 LYS A 102 13.376 -14.553 14.769 1.00 27.94 H new ATOM 0 HG3 LYS A 102 13.990 -13.809 13.306 1.00 27.94 H new ATOM 0 HD2 LYS A 102 15.806 -14.090 14.932 1.00 27.68 H new ATOM 0 HD3 LYS A 102 15.517 -12.386 14.643 1.00 27.68 H new ATOM 0 HE2 LYS A 102 14.142 -12.275 16.723 1.00 27.51 H new ATOM 0 HE3 LYS A 102 14.457 -13.974 17.016 1.00 27.51 H new ATOM 0 HZ1 LYS A 102 15.950 -12.576 18.281 1.00 27.73 H new ATOM 0 HZ2 LYS A 102 16.828 -13.484 17.146 1.00 27.73 H new ATOM 0 HZ3 LYS A 102 16.523 -11.838 16.863 1.00 27.73 H new ATOM 1530 N ASP A 103 14.177 -10.801 11.691 1.00 27.47 N ATOM 1531 CA ASP A 103 14.222 -10.827 10.234 1.00 26.99 C ATOM 1532 C ASP A 103 15.026 -12.036 9.754 1.00 26.66 C ATOM 1533 O ASP A 103 16.011 -12.419 10.388 1.00 27.04 O ATOM 1534 CB ASP A 103 14.823 -9.525 9.692 1.00 27.47 C ATOM 1535 CG ASP A 103 14.703 -9.412 8.185 1.00 27.51 C ATOM 1536 OD1 ASP A 103 15.540 -10.004 7.467 1.00 27.33 O ATOM 1537 OD2 ASP A 103 13.783 -8.723 7.709 1.00 27.82 O ATOM 0 H ASP A 103 15.009 -10.411 12.133 1.00 27.47 H new ATOM 0 HA ASP A 103 13.204 -10.915 9.853 1.00 26.99 H new ATOM 0 HB2 ASP A 103 14.322 -8.676 10.158 1.00 27.47 H new ATOM 0 HB3 ASP A 103 15.874 -9.469 9.975 1.00 27.47 H new ATOM 1542 N PRO A 104 14.560 -12.710 8.688 1.00 26.03 N ATOM 1543 CA PRO A 104 15.222 -13.911 8.149 1.00 25.74 C ATOM 1544 C PRO A 104 16.580 -13.633 7.492 1.00 26.01 C ATOM 1545 O PRO A 104 17.411 -14.538 7.377 1.00 25.99 O ATOM 1546 CB PRO A 104 14.222 -14.427 7.097 1.00 25.14 C ATOM 1547 CG PRO A 104 13.431 -13.225 6.713 1.00 25.07 C ATOM 1548 CD PRO A 104 13.316 -12.396 7.961 1.00 25.65 C ATOM 0 HA PRO A 104 15.450 -14.618 8.946 1.00 25.74 H new ATOM 0 HB2 PRO A 104 14.737 -14.855 6.237 1.00 25.14 H new ATOM 0 HB3 PRO A 104 13.582 -15.209 7.507 1.00 25.14 H new ATOM 0 HG2 PRO A 104 13.927 -12.668 5.918 1.00 25.07 H new ATOM 0 HG3 PRO A 104 12.447 -13.507 6.339 1.00 25.07 H new ATOM 0 HD2 PRO A 104 13.240 -11.333 7.733 1.00 25.65 H new ATOM 0 HD3 PRO A 104 12.432 -12.662 8.541 1.00 25.65 H new ATOM 1556 N ARG A 105 16.826 -12.393 7.076 1.00 26.35 N ATOM 1557 CA ARG A 105 18.096 -12.065 6.435 1.00 26.73 C ATOM 1558 C ARG A 105 19.144 -11.737 7.497 1.00 27.46 C ATOM 1559 O ARG A 105 18.902 -10.891 8.354 1.00 27.80 O ATOM 1560 CB ARG A 105 17.968 -10.874 5.470 1.00 26.76 C ATOM 1561 CG ARG A 105 17.285 -11.179 4.133 1.00 26.26 C ATOM 1562 CD ARG A 105 15.775 -11.378 4.283 1.00 25.68 C ATOM 1563 NE ARG A 105 15.147 -10.230 4.933 1.00 25.63 N ATOM 1564 CZ ARG A 105 14.447 -9.288 4.307 1.00 25.39 C ATOM 1565 NH1 ARG A 105 14.223 -9.369 2.998 1.00 25.18 N ATOM 1566 NH2 ARG A 105 13.946 -8.273 5.007 1.00 25.45 N ATOM 0 H ARG A 105 16.176 -11.612 7.169 1.00 26.35 H new ATOM 0 HA ARG A 105 18.401 -12.937 5.857 1.00 26.73 H new ATOM 0 HB2 ARG A 105 17.411 -10.082 5.970 1.00 26.76 H new ATOM 0 HB3 ARG A 105 18.965 -10.484 5.268 1.00 26.76 H new ATOM 0 HG2 ARG A 105 17.474 -10.362 3.437 1.00 26.26 H new ATOM 0 HG3 ARG A 105 17.726 -12.076 3.699 1.00 26.26 H new ATOM 0 HD2 ARG A 105 15.328 -11.531 3.301 1.00 25.68 H new ATOM 0 HD3 ARG A 105 15.581 -12.279 4.866 1.00 25.68 H new ATOM 0 HE ARG A 105 15.253 -10.144 5.944 1.00 25.63 H new ATOM 0 HH11 ARG A 105 14.589 -10.158 2.466 1.00 25.18 H new ATOM 0 HH12 ARG A 105 13.685 -8.642 2.527 1.00 25.18 H new ATOM 0 HH21 ARG A 105 14.100 -8.223 6.014 1.00 25.45 H new ATOM 0 HH22 ARG A 105 13.408 -7.545 4.536 1.00 25.45 H new ATOM 1580 N PRO A 106 20.334 -12.375 7.459 1.00 27.81 N ATOM 1581 CA PRO A 106 21.370 -12.134 8.467 1.00 28.58 C ATOM 1582 C PRO A 106 22.067 -10.786 8.274 1.00 29.15 C ATOM 1583 O PRO A 106 22.660 -10.520 7.224 1.00 29.20 O ATOM 1584 CB PRO A 106 22.353 -13.286 8.244 1.00 28.76 C ATOM 1585 CG PRO A 106 22.217 -13.616 6.800 1.00 28.29 C ATOM 1586 CD PRO A 106 20.778 -13.352 6.437 1.00 27.58 C ATOM 0 HA PRO A 106 20.959 -12.096 9.476 1.00 28.58 H new ATOM 0 HB2 PRO A 106 23.373 -12.991 8.489 1.00 28.76 H new ATOM 0 HB3 PRO A 106 22.109 -14.143 8.872 1.00 28.76 H new ATOM 0 HG2 PRO A 106 22.888 -13.004 6.197 1.00 28.29 H new ATOM 0 HG3 PRO A 106 22.480 -14.657 6.613 1.00 28.29 H new ATOM 0 HD2 PRO A 106 20.687 -12.947 5.429 1.00 27.58 H new ATOM 0 HD3 PRO A 106 20.183 -14.264 6.469 1.00 27.58 H new ATOM 1594 N GLY A 107 21.951 -9.919 9.274 1.00 29.63 N ATOM 1595 CA GLY A 107 22.585 -8.614 9.224 1.00 30.26 C ATOM 1596 C GLY A 107 21.852 -7.614 8.336 1.00 30.07 C ATOM 1597 O GLY A 107 21.923 -6.416 8.596 1.00 30.61 O ATOM 0 H GLY A 107 21.423 -10.100 10.128 1.00 29.63 H new ATOM 0 HA2 GLY A 107 22.649 -8.211 10.235 1.00 30.26 H new ATOM 0 HA3 GLY A 107 23.606 -8.729 8.861 1.00 30.26 H new ATOM 1601 N PHE A 108 21.106 -8.119 7.326 1.00 29.36 N ATOM 1602 CA PHE A 108 20.381 -7.274 6.337 1.00 29.20 C ATOM 1603 C PHE A 108 21.219 -6.062 5.908 1.00 29.85 C ATOM 1604 O PHE A 108 20.689 -5.020 5.524 1.00 30.10 O ATOM 1605 CB PHE A 108 18.984 -6.839 6.860 1.00 29.02 C ATOM 1606 CG PHE A 108 18.975 -6.161 8.204 1.00 28.90 C ATOM 1607 CD1 PHE A 108 18.800 -6.893 9.374 1.00 29.07 C ATOM 1608 CD2 PHE A 108 19.123 -4.788 8.295 1.00 28.70 C ATOM 1609 CE1 PHE A 108 18.776 -6.260 10.601 1.00 29.04 C ATOM 1610 CE2 PHE A 108 19.102 -4.153 9.517 1.00 28.68 C ATOM 1611 CZ PHE A 108 18.928 -4.889 10.673 1.00 28.85 C ATOM 0 H PHE A 108 20.987 -9.120 7.170 1.00 29.36 H new ATOM 0 HA PHE A 108 20.217 -7.890 5.453 1.00 29.20 H new ATOM 0 HB2 PHE A 108 18.536 -6.165 6.130 1.00 29.02 H new ATOM 0 HB3 PHE A 108 18.345 -7.721 6.913 1.00 29.02 H new ATOM 0 HD1 PHE A 108 18.682 -7.965 9.322 1.00 29.07 H new ATOM 0 HD2 PHE A 108 19.257 -4.206 7.395 1.00 28.70 H new ATOM 0 HE1 PHE A 108 18.638 -6.837 11.504 1.00 29.04 H new ATOM 0 HE2 PHE A 108 19.221 -3.081 9.571 1.00 28.68 H new ATOM 0 HZ PHE A 108 18.911 -4.393 11.632 1.00 28.85 H new ATOM 1621 N GLU A 109 22.522 -6.288 5.805 1.00 30.16 N ATOM 1622 CA GLU A 109 23.476 -5.254 5.444 1.00 30.84 C ATOM 1623 C GLU A 109 24.628 -5.893 4.677 1.00 31.39 C ATOM 1624 O GLU A 109 24.759 -5.640 3.460 1.00 31.70 O ATOM 1625 CB GLU A 109 23.995 -4.541 6.709 1.00 30.99 C ATOM 1626 CG GLU A 109 25.054 -3.480 6.442 1.00 31.54 C ATOM 1627 CD GLU A 109 24.507 -2.256 5.737 1.00 31.75 C ATOM 1628 OE1 GLU A 109 24.070 -1.313 6.429 1.00 32.01 O ATOM 1629 OE2 GLU A 109 24.533 -2.218 4.489 1.00 31.74 O ATOM 1630 OXT GLU A 109 25.368 -6.696 5.285 1.00 31.58 O ATOM 0 H GLU A 109 22.947 -7.200 5.971 1.00 30.16 H new ATOM 0 HA GLU A 109 22.991 -4.509 4.814 1.00 30.84 H new ATOM 0 HB2 GLU A 109 23.153 -4.076 7.221 1.00 30.99 H new ATOM 0 HB3 GLU A 109 24.408 -5.287 7.388 1.00 30.99 H new ATOM 0 HG2 GLU A 109 25.502 -3.177 7.388 1.00 31.54 H new ATOM 0 HG3 GLU A 109 25.850 -3.914 5.837 1.00 31.54 H new TER 1637 GLU A 109