USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 78 GLN : amide:sc= -4.37! C(o=-4.4!,f=-5.4!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= -0.225 (180deg=-1.23!) USER MOD Single : A 3 LYS NZ :NH3+ 153:sc= 0.107 (180deg=-0.161) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc=0.000725 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 47:sc= 0.5 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= -0.576 (180deg=-0.586) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= -1.34 (180deg=-3.68!) USER MOD Single : A 43 HIS : no HD1:sc= -0.626 K(o=-0.63,f=-0.13) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 98:sc= 0.454 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.5) USER MOD Single : A 63 GLN : amide:sc=-0.00639 K(o=-0.0064,f=-0.87) USER MOD Single : A 67 SER OG : rot 64:sc= 1.17 USER MOD Single : A 72 LYS NZ :NH3+ -165:sc= -0.0106 (180deg=-0.254) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.624 USER MOD Single : A 76 THR OG1 : rot -59:sc= -0.474 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.575 K(o=-0.58,f=-0.007) USER MOD Single : A 90 SER OG : rot 102:sc= 0.474 USER MOD Single : A 93 ASN : amide:sc= -2.13 K(o=-2.1,f=-8.9!) USER MOD Single : A 94 LYS NZ :NH3+ 132:sc= -0.229 (180deg=-1.22) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 80:sc= 0.321 USER MOD Single : A 102 ASN : amide:sc= -0.0481 K(o=-0.048,f=-1.4!) USER MOD Single : B 1 PHE N :NH3+ -153:sc= 0.0273 (180deg=0) USER MOD Single : B 5 TYR OH : rot 3:sc= -3.63! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -1.49! C(o=-1.5!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.582 -2.544 8.523 1.00 0.73 N ATOM 2 CA MET A 1 -6.362 -2.529 9.381 1.00 0.31 C ATOM 3 C MET A 1 -5.120 -2.387 8.500 1.00 0.24 C ATOM 4 O MET A 1 -5.153 -2.655 7.316 1.00 0.21 O ATOM 5 CB MET A 1 -6.279 -3.837 10.171 1.00 0.70 C ATOM 6 CG MET A 1 -7.532 -3.997 11.031 1.00 1.55 C ATOM 7 SD MET A 1 -7.428 -2.890 12.459 1.00 2.25 S ATOM 8 CE MET A 1 -9.130 -3.102 13.034 1.00 2.89 C ATOM 0 H1 MET A 1 -8.318 -1.950 8.956 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.348 -2.173 7.580 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.932 -3.519 8.434 1.00 0.73 H new ATOM 0 HA MET A 1 -6.415 -1.688 10.073 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.185 -4.681 9.488 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.390 -3.837 10.802 1.00 0.70 H new ATOM 0 HG2 MET A 1 -8.421 -3.768 10.444 1.00 1.55 H new ATOM 0 HG3 MET A 1 -7.628 -5.030 11.364 1.00 1.55 H new ATOM 0 HE1 MET A 1 -9.291 -2.496 13.926 1.00 2.89 H new ATOM 0 HE2 MET A 1 -9.820 -2.787 12.252 1.00 2.89 H new ATOM 0 HE3 MET A 1 -9.306 -4.151 13.272 1.00 2.89 H new ATOM 20 N VAL A 2 -4.021 -1.972 9.073 1.00 0.24 N ATOM 21 CA VAL A 2 -2.767 -1.816 8.276 1.00 0.19 C ATOM 22 C VAL A 2 -1.937 -3.096 8.402 1.00 0.22 C ATOM 23 O VAL A 2 -2.203 -3.937 9.238 1.00 0.28 O ATOM 24 CB VAL A 2 -1.971 -0.623 8.814 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.619 -0.536 8.100 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.760 0.666 8.570 1.00 0.30 C ATOM 0 H VAL A 2 -3.937 -1.734 10.061 1.00 0.24 H new ATOM 0 HA VAL A 2 -3.008 -1.641 7.228 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.804 -0.754 9.883 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.057 0.314 8.487 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.056 -1.453 8.275 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.780 -0.408 7.030 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.195 1.516 8.952 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.928 0.793 7.500 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.720 0.608 9.083 1.00 0.30 H new ATOM 36 N LYS A 3 -0.938 -3.261 7.575 1.00 0.18 N ATOM 37 CA LYS A 3 -0.102 -4.498 7.648 1.00 0.22 C ATOM 38 C LYS A 3 1.289 -4.204 7.089 1.00 0.16 C ATOM 39 O LYS A 3 1.440 -3.785 5.959 1.00 0.13 O ATOM 40 CB LYS A 3 -0.760 -5.598 6.812 1.00 0.26 C ATOM 41 CG LYS A 3 0.121 -6.857 6.770 1.00 0.34 C ATOM 42 CD LYS A 3 0.422 -7.347 8.193 1.00 0.81 C ATOM 43 CE LYS A 3 0.854 -8.815 8.149 1.00 1.37 C ATOM 44 NZ LYS A 3 2.084 -8.943 7.320 1.00 1.97 N ATOM 0 H LYS A 3 -0.664 -2.594 6.853 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.017 -4.823 8.685 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.735 -5.845 7.232 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.932 -5.236 5.798 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.383 -7.643 6.207 1.00 0.34 H new ATOM 0 HG3 LYS A 3 1.053 -6.639 6.249 1.00 0.34 H new ATOM 0 HD2 LYS A 3 1.209 -6.739 8.639 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.462 -7.236 8.821 1.00 0.81 H new ATOM 0 HE2 LYS A 3 1.043 -9.181 9.158 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.055 -9.428 7.732 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 2.629 -9.771 7.633 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.819 -9.061 6.321 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 2.664 -8.087 7.426 1.00 1.97 H new ATOM 58 N GLN A 4 2.307 -4.419 7.875 1.00 0.18 N ATOM 59 CA GLN A 4 3.697 -4.153 7.401 1.00 0.15 C ATOM 60 C GLN A 4 4.286 -5.422 6.781 1.00 0.13 C ATOM 61 O GLN A 4 4.183 -6.501 7.330 1.00 0.14 O ATOM 62 CB GLN A 4 4.548 -3.716 8.596 1.00 0.20 C ATOM 63 CG GLN A 4 6.044 -3.765 8.240 1.00 0.21 C ATOM 64 CD GLN A 4 6.837 -2.909 9.232 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.513 -2.858 10.402 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.867 -2.229 8.810 1.00 0.98 N ATOM 0 H GLN A 4 2.237 -4.769 8.830 1.00 0.18 H new ATOM 0 HA GLN A 4 3.687 -3.367 6.646 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.273 -2.705 8.896 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.350 -4.366 9.448 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.401 -4.795 8.266 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.199 -3.400 7.225 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.139 -2.272 7.828 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.401 -1.654 9.462 1.00 0.98 H new ATOM 75 N ILE A 5 4.919 -5.286 5.645 1.00 0.10 N ATOM 76 CA ILE A 5 5.548 -6.462 4.969 1.00 0.10 C ATOM 77 C ILE A 5 7.064 -6.321 5.078 1.00 0.10 C ATOM 78 O ILE A 5 7.657 -5.454 4.467 1.00 0.11 O ATOM 79 CB ILE A 5 5.155 -6.473 3.485 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.680 -6.054 3.309 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.393 -7.865 2.891 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.727 -7.004 4.048 1.00 0.19 C ATOM 0 H ILE A 5 5.029 -4.401 5.151 1.00 0.10 H new ATOM 0 HA ILE A 5 5.212 -7.386 5.439 1.00 0.10 H new ATOM 0 HB ILE A 5 5.777 -5.753 2.954 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.543 -5.039 3.682 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.430 -6.040 2.248 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.112 -7.864 1.838 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.447 -8.125 2.985 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.790 -8.597 3.427 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.698 -6.675 3.900 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.845 -8.015 3.657 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.960 -6.998 5.113 1.00 0.19 H new ATOM 94 N GLU A 6 7.695 -7.158 5.852 1.00 0.11 N ATOM 95 CA GLU A 6 9.175 -7.072 6.006 1.00 0.14 C ATOM 96 C GLU A 6 9.845 -8.154 5.155 1.00 0.14 C ATOM 97 O GLU A 6 11.049 -8.164 4.986 1.00 0.17 O ATOM 98 CB GLU A 6 9.528 -7.283 7.475 1.00 0.18 C ATOM 99 CG GLU A 6 8.584 -6.459 8.352 1.00 0.31 C ATOM 100 CD GLU A 6 9.008 -6.588 9.817 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.877 -5.838 10.230 1.00 1.97 O ATOM 102 OE2 GLU A 6 8.457 -7.436 10.499 1.00 1.96 O ATOM 0 H GLU A 6 7.248 -7.902 6.388 1.00 0.11 H new ATOM 0 HA GLU A 6 9.526 -6.094 5.677 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.449 -8.340 7.731 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.561 -6.988 7.657 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.606 -5.413 8.046 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.558 -6.806 8.227 1.00 0.31 H new ATOM 109 N SER A 7 9.080 -9.069 4.614 1.00 0.13 N ATOM 110 CA SER A 7 9.686 -10.148 3.775 1.00 0.15 C ATOM 111 C SER A 7 8.665 -10.659 2.755 1.00 0.14 C ATOM 112 O SER A 7 7.471 -10.523 2.930 1.00 0.12 O ATOM 113 CB SER A 7 10.130 -11.298 4.674 1.00 0.20 C ATOM 114 OG SER A 7 9.037 -11.716 5.481 1.00 0.23 O ATOM 0 H SER A 7 8.066 -9.116 4.716 1.00 0.13 H new ATOM 0 HA SER A 7 10.547 -9.745 3.242 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.488 -12.130 4.068 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.961 -10.982 5.304 1.00 0.20 H new ATOM 0 HG SER A 7 9.320 -12.456 6.058 1.00 0.23 H new ATOM 120 N LYS A 8 9.135 -11.245 1.688 1.00 0.15 N ATOM 121 CA LYS A 8 8.210 -11.769 0.642 1.00 0.14 C ATOM 122 C LYS A 8 7.176 -12.710 1.272 1.00 0.14 C ATOM 123 O LYS A 8 6.056 -12.810 0.814 1.00 0.13 O ATOM 124 CB LYS A 8 9.019 -12.534 -0.407 1.00 0.17 C ATOM 125 CG LYS A 8 8.163 -12.755 -1.656 1.00 0.21 C ATOM 126 CD LYS A 8 8.962 -13.558 -2.685 1.00 0.22 C ATOM 127 CE LYS A 8 8.060 -13.926 -3.864 1.00 1.06 C ATOM 128 NZ LYS A 8 8.898 -14.353 -5.020 1.00 1.90 N ATOM 0 H LYS A 8 10.127 -11.384 1.494 1.00 0.15 H new ATOM 0 HA LYS A 8 7.689 -10.933 0.174 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.919 -11.976 -0.665 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.344 -13.493 -0.002 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.248 -13.287 -1.394 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.864 -11.796 -2.079 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.814 -12.974 -3.034 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.362 -14.461 -2.225 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.380 -14.729 -3.578 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.444 -13.072 -4.144 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.283 -14.603 -5.821 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.529 -13.574 -5.298 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 9.467 -15.180 -4.749 1.00 1.90 H new ATOM 142 N THR A 9 7.543 -13.412 2.310 1.00 0.16 N ATOM 143 CA THR A 9 6.577 -14.351 2.952 1.00 0.18 C ATOM 144 C THR A 9 5.342 -13.587 3.433 1.00 0.16 C ATOM 145 O THR A 9 4.220 -14.011 3.238 1.00 0.17 O ATOM 146 CB THR A 9 7.243 -15.038 4.139 1.00 0.21 C ATOM 147 OG1 THR A 9 8.537 -15.488 3.762 1.00 0.24 O ATOM 148 CG2 THR A 9 6.394 -16.230 4.587 1.00 0.25 C ATOM 0 H THR A 9 8.467 -13.377 2.741 1.00 0.16 H new ATOM 0 HA THR A 9 6.271 -15.099 2.221 1.00 0.18 H new ATOM 0 HB THR A 9 7.332 -14.330 4.963 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.966 -15.928 4.526 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.872 -16.719 5.435 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.404 -15.882 4.880 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.300 -16.939 3.765 1.00 0.25 H new ATOM 156 N ALA A 10 5.540 -12.466 4.064 1.00 0.16 N ATOM 157 CA ALA A 10 4.381 -11.672 4.565 1.00 0.17 C ATOM 158 C ALA A 10 3.623 -11.060 3.383 1.00 0.15 C ATOM 159 O ALA A 10 2.452 -10.752 3.479 1.00 0.17 O ATOM 160 CB ALA A 10 4.893 -10.560 5.485 1.00 0.20 C ATOM 0 H ALA A 10 6.457 -12.062 4.256 1.00 0.16 H new ATOM 0 HA ALA A 10 3.705 -12.322 5.120 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.050 -9.976 5.854 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.426 -11.001 6.327 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.569 -9.910 4.929 1.00 0.20 H new ATOM 166 N PHE A 11 4.282 -10.872 2.272 1.00 0.12 N ATOM 167 CA PHE A 11 3.596 -10.271 1.092 1.00 0.11 C ATOM 168 C PHE A 11 2.435 -11.155 0.647 1.00 0.13 C ATOM 169 O PHE A 11 1.286 -10.780 0.755 1.00 0.16 O ATOM 170 CB PHE A 11 4.591 -10.116 -0.061 1.00 0.10 C ATOM 171 CG PHE A 11 3.900 -9.477 -1.245 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.498 -8.130 -1.178 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.669 -10.222 -2.418 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.865 -7.527 -2.281 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.033 -9.619 -3.522 1.00 0.18 C ATOM 176 CZ PHE A 11 2.632 -8.272 -3.453 1.00 0.21 C ATOM 0 H PHE A 11 5.264 -11.108 2.130 1.00 0.12 H new ATOM 0 HA PHE A 11 3.208 -9.292 1.374 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.436 -9.503 0.254 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.991 -11.090 -0.343 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.675 -7.558 -0.279 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.979 -11.255 -2.471 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.558 -6.493 -2.229 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.854 -10.191 -4.421 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.145 -7.809 -4.299 1.00 0.21 H new ATOM 186 N GLN A 12 2.718 -12.319 0.136 1.00 0.15 N ATOM 187 CA GLN A 12 1.615 -13.206 -0.328 1.00 0.19 C ATOM 188 C GLN A 12 0.627 -13.441 0.814 1.00 0.17 C ATOM 189 O GLN A 12 -0.572 -13.442 0.619 1.00 0.16 O ATOM 190 CB GLN A 12 2.189 -14.547 -0.800 1.00 0.24 C ATOM 191 CG GLN A 12 3.173 -15.092 0.240 1.00 1.21 C ATOM 192 CD GLN A 12 3.746 -16.421 -0.253 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.011 -17.306 -0.644 1.00 2.35 O ATOM 194 NE2 GLN A 12 5.039 -16.602 -0.249 1.00 2.47 N ATOM 0 H GLN A 12 3.659 -12.694 0.020 1.00 0.15 H new ATOM 0 HA GLN A 12 1.097 -12.727 -1.159 1.00 0.19 H new ATOM 0 HB2 GLN A 12 1.382 -15.262 -0.958 1.00 0.24 H new ATOM 0 HB3 GLN A 12 2.693 -14.419 -1.758 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.977 -14.376 0.407 1.00 1.21 H new ATOM 0 HG3 GLN A 12 2.668 -15.233 1.196 1.00 1.21 H new ATOM 0 HE21 GLN A 12 5.657 -15.860 0.079 1.00 2.47 H new ATOM 0 HE22 GLN A 12 5.431 -17.486 -0.574 1.00 2.47 H new ATOM 203 N GLU A 13 1.115 -13.643 2.004 1.00 0.19 N ATOM 204 CA GLU A 13 0.201 -13.880 3.151 1.00 0.20 C ATOM 205 C GLU A 13 -0.708 -12.665 3.352 1.00 0.18 C ATOM 206 O GLU A 13 -1.863 -12.798 3.702 1.00 0.19 O ATOM 207 CB GLU A 13 1.032 -14.123 4.414 1.00 0.25 C ATOM 208 CG GLU A 13 1.551 -15.564 4.427 1.00 0.30 C ATOM 209 CD GLU A 13 2.549 -15.737 5.574 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.627 -14.847 6.405 1.00 2.10 O ATOM 211 OE2 GLU A 13 3.219 -16.756 5.602 1.00 2.03 O ATOM 0 H GLU A 13 2.109 -13.654 2.231 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.419 -14.753 2.949 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.869 -13.425 4.449 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.425 -13.938 5.300 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.720 -16.260 4.546 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.030 -15.798 3.476 1.00 0.30 H new ATOM 218 N ALA A 14 -0.201 -11.481 3.141 1.00 0.18 N ATOM 219 CA ALA A 14 -1.051 -10.273 3.332 1.00 0.18 C ATOM 220 C ALA A 14 -2.234 -10.321 2.359 1.00 0.18 C ATOM 221 O ALA A 14 -3.368 -10.100 2.733 1.00 0.19 O ATOM 222 CB ALA A 14 -0.221 -9.019 3.070 1.00 0.20 C ATOM 0 H ALA A 14 0.758 -11.299 2.847 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.426 -10.250 4.355 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.843 -8.135 3.210 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.618 -8.986 3.765 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.156 -9.039 2.047 1.00 0.20 H new ATOM 228 N LEU A 15 -1.975 -10.618 1.115 1.00 0.17 N ATOM 229 CA LEU A 15 -3.079 -10.692 0.112 1.00 0.18 C ATOM 230 C LEU A 15 -4.047 -11.805 0.515 1.00 0.18 C ATOM 231 O LEU A 15 -5.251 -11.653 0.436 1.00 0.18 O ATOM 232 CB LEU A 15 -2.486 -10.988 -1.272 1.00 0.19 C ATOM 233 CG LEU A 15 -1.201 -10.176 -1.469 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.729 -10.312 -2.917 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.470 -8.700 -1.164 1.00 0.62 C ATOM 0 H LEU A 15 -1.044 -10.813 0.747 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.615 -9.744 0.076 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.273 -12.053 -1.367 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.208 -10.737 -2.049 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.432 -10.552 -0.794 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.185 -9.735 -3.058 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.533 -11.361 -3.139 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.502 -9.937 -3.588 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.554 -8.126 -1.305 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.241 -8.324 -1.837 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.807 -8.597 -0.133 1.00 0.62 H new ATOM 247 N ASP A 16 -3.533 -12.920 0.952 1.00 0.19 N ATOM 248 CA ASP A 16 -4.424 -14.039 1.366 1.00 0.21 C ATOM 249 C ASP A 16 -5.224 -13.624 2.603 1.00 0.20 C ATOM 250 O ASP A 16 -6.398 -13.912 2.720 1.00 0.20 O ATOM 251 CB ASP A 16 -3.575 -15.270 1.696 1.00 0.24 C ATOM 252 CG ASP A 16 -4.476 -16.379 2.238 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.419 -16.739 1.551 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.209 -16.852 3.331 1.00 1.09 O ATOM 0 H ASP A 16 -2.534 -13.105 1.040 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.110 -14.277 0.554 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -3.053 -15.615 0.804 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.813 -15.013 2.432 1.00 0.24 H new ATOM 259 N ALA A 17 -4.597 -12.948 3.527 1.00 0.22 N ATOM 260 CA ALA A 17 -5.323 -12.515 4.756 1.00 0.24 C ATOM 261 C ALA A 17 -6.147 -11.263 4.451 1.00 0.21 C ATOM 262 O ALA A 17 -7.050 -10.909 5.183 1.00 0.22 O ATOM 263 CB ALA A 17 -4.311 -12.200 5.860 1.00 0.30 C ATOM 0 H ALA A 17 -3.615 -12.677 3.485 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.987 -13.315 5.085 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.840 -11.883 6.759 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.723 -13.091 6.080 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.648 -11.401 5.529 1.00 0.30 H new ATOM 269 N ALA A 18 -5.845 -10.589 3.376 1.00 0.21 N ATOM 270 CA ALA A 18 -6.611 -9.360 3.025 1.00 0.22 C ATOM 271 C ALA A 18 -8.036 -9.743 2.624 1.00 0.21 C ATOM 272 O ALA A 18 -8.870 -8.893 2.379 1.00 0.24 O ATOM 273 CB ALA A 18 -5.926 -8.651 1.856 1.00 0.23 C ATOM 0 H ALA A 18 -5.100 -10.836 2.725 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.644 -8.694 3.887 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.485 -7.752 1.598 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -4.910 -8.377 2.141 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -5.894 -9.318 0.994 1.00 0.23 H new ATOM 279 N GLY A 19 -8.325 -11.013 2.551 1.00 0.22 N ATOM 280 CA GLY A 19 -9.697 -11.439 2.158 1.00 0.24 C ATOM 281 C GLY A 19 -9.938 -11.066 0.694 1.00 0.20 C ATOM 282 O GLY A 19 -9.102 -11.294 -0.157 1.00 0.28 O ATOM 0 H GLY A 19 -7.672 -11.772 2.746 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.810 -12.514 2.295 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.438 -10.956 2.796 1.00 0.24 H new ATOM 286 N ASP A 20 -11.077 -10.490 0.397 1.00 0.13 N ATOM 287 CA ASP A 20 -11.394 -10.090 -1.013 1.00 0.18 C ATOM 288 C ASP A 20 -11.550 -8.569 -1.086 1.00 0.15 C ATOM 289 O ASP A 20 -11.890 -8.022 -2.117 1.00 0.22 O ATOM 290 CB ASP A 20 -12.703 -10.756 -1.444 1.00 0.26 C ATOM 291 CG ASP A 20 -12.491 -12.267 -1.563 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.385 -12.666 -1.889 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.438 -12.998 -1.327 1.00 2.21 O ATOM 0 H ASP A 20 -11.808 -10.277 1.076 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.587 -10.406 -1.674 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.488 -10.544 -0.718 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.034 -10.348 -2.399 1.00 0.26 H new ATOM 298 N LYS A 21 -11.303 -7.877 -0.006 1.00 0.12 N ATOM 299 CA LYS A 21 -11.437 -6.394 -0.028 1.00 0.19 C ATOM 300 C LYS A 21 -10.314 -5.804 -0.869 1.00 0.15 C ATOM 301 O LYS A 21 -9.375 -6.484 -1.231 1.00 0.15 O ATOM 302 CB LYS A 21 -11.349 -5.853 1.397 1.00 0.27 C ATOM 303 CG LYS A 21 -12.673 -6.109 2.114 1.00 0.29 C ATOM 304 CD LYS A 21 -12.481 -5.919 3.612 1.00 0.30 C ATOM 305 CE LYS A 21 -13.846 -5.906 4.293 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.667 -5.940 5.773 1.00 1.90 N ATOM 0 H LYS A 21 -11.015 -8.275 0.888 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.400 -6.118 -0.458 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.532 -6.337 1.933 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.131 -4.785 1.381 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.438 -5.426 1.745 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.022 -7.120 1.906 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.866 -6.723 4.017 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.954 -4.985 3.808 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.399 -5.012 4.004 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.434 -6.764 3.968 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.598 -5.931 6.236 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.156 -6.805 6.041 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.122 -5.108 6.076 1.00 1.90 H new ATOM 320 N LEU A 22 -10.398 -4.546 -1.187 1.00 0.13 N ATOM 321 CA LEU A 22 -9.329 -3.932 -2.009 1.00 0.11 C ATOM 322 C LEU A 22 -8.020 -3.956 -1.204 1.00 0.10 C ATOM 323 O LEU A 22 -8.030 -4.143 -0.003 1.00 0.11 O ATOM 324 CB LEU A 22 -9.733 -2.480 -2.357 1.00 0.12 C ATOM 325 CG LEU A 22 -9.496 -2.158 -3.844 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.817 -0.675 -4.084 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.036 -2.422 -4.243 1.00 0.11 C ATOM 0 H LEU A 22 -11.156 -3.921 -0.914 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.187 -4.485 -2.937 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.785 -2.328 -2.116 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.162 -1.787 -1.740 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.140 -2.799 -4.447 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.653 -0.433 -5.134 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.858 -0.481 -3.825 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.168 -0.057 -3.464 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.899 -2.186 -5.298 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.376 -1.796 -3.642 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.796 -3.471 -4.072 1.00 0.11 H new ATOM 339 N VAL A 23 -6.895 -3.765 -1.847 1.00 0.08 N ATOM 340 CA VAL A 23 -5.597 -3.774 -1.101 1.00 0.09 C ATOM 341 C VAL A 23 -4.623 -2.778 -1.739 1.00 0.08 C ATOM 342 O VAL A 23 -4.101 -3.013 -2.808 1.00 0.09 O ATOM 343 CB VAL A 23 -4.986 -5.177 -1.145 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.868 -5.279 -0.105 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.067 -6.215 -0.833 1.00 0.10 C ATOM 0 H VAL A 23 -6.818 -3.604 -2.851 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.781 -3.488 -0.065 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.578 -5.364 -2.138 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.432 -6.278 -0.136 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.097 -4.540 -0.325 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.277 -5.092 0.888 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.632 -7.214 -0.864 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.475 -6.028 0.160 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.865 -6.143 -1.572 1.00 0.10 H new ATOM 355 N VAL A 24 -4.362 -1.673 -1.079 1.00 0.08 N ATOM 356 CA VAL A 24 -3.407 -0.661 -1.634 1.00 0.08 C ATOM 357 C VAL A 24 -2.079 -0.772 -0.886 1.00 0.08 C ATOM 358 O VAL A 24 -2.035 -0.767 0.328 1.00 0.08 O ATOM 359 CB VAL A 24 -3.979 0.751 -1.468 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.214 1.725 -2.367 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.458 0.755 -1.860 1.00 0.09 C ATOM 0 H VAL A 24 -4.771 -1.429 -0.177 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.252 -0.851 -2.696 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.877 1.060 -0.428 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.623 2.728 -2.247 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.160 1.727 -2.088 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.313 1.415 -3.407 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.863 1.760 -1.741 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.560 0.443 -2.899 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.006 0.065 -1.219 1.00 0.09 H new ATOM 371 N VAL A 25 -0.999 -0.887 -1.611 1.00 0.09 N ATOM 372 CA VAL A 25 0.349 -1.015 -0.975 1.00 0.09 C ATOM 373 C VAL A 25 1.114 0.293 -1.141 1.00 0.10 C ATOM 374 O VAL A 25 1.140 0.879 -2.205 1.00 0.17 O ATOM 375 CB VAL A 25 1.132 -2.137 -1.667 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.330 -2.536 -0.802 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.224 -3.351 -1.870 1.00 0.09 C ATOM 0 H VAL A 25 -0.991 -0.898 -2.631 1.00 0.09 H new ATOM 0 HA VAL A 25 0.229 -1.243 0.084 1.00 0.09 H new ATOM 0 HB VAL A 25 1.485 -1.783 -2.636 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.885 -3.334 -1.295 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.981 -1.673 -0.662 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.978 -2.886 0.168 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.784 -4.146 -2.362 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.133 -3.704 -0.903 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.627 -3.069 -2.490 1.00 0.09 H new ATOM 387 N ASP A 26 1.747 0.747 -0.095 1.00 0.08 N ATOM 388 CA ASP A 26 2.532 2.013 -0.167 1.00 0.08 C ATOM 389 C ASP A 26 4.023 1.678 -0.165 1.00 0.08 C ATOM 390 O ASP A 26 4.615 1.441 0.869 1.00 0.09 O ATOM 391 CB ASP A 26 2.203 2.877 1.052 1.00 0.09 C ATOM 392 CG ASP A 26 3.117 4.104 1.070 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.688 4.407 0.035 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.231 4.718 2.118 1.00 0.93 O ATOM 0 H ASP A 26 1.754 0.290 0.817 1.00 0.08 H new ATOM 0 HA ASP A 26 2.280 2.555 -1.078 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.159 3.189 1.019 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.334 2.299 1.967 1.00 0.09 H new ATOM 399 N PHE A 27 4.637 1.666 -1.313 1.00 0.08 N ATOM 400 CA PHE A 27 6.092 1.359 -1.376 1.00 0.09 C ATOM 401 C PHE A 27 6.855 2.651 -1.115 1.00 0.11 C ATOM 402 O PHE A 27 7.260 3.334 -2.034 1.00 0.13 O ATOM 403 CB PHE A 27 6.446 0.871 -2.779 1.00 0.10 C ATOM 404 CG PHE A 27 6.049 -0.575 -2.965 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.730 -0.911 -3.330 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.011 -1.588 -2.798 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.376 -2.262 -3.522 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.658 -2.936 -2.993 1.00 0.21 C ATOM 409 CZ PHE A 27 5.341 -3.274 -3.355 1.00 0.23 C ATOM 0 H PHE A 27 4.194 1.856 -2.212 1.00 0.08 H new ATOM 0 HA PHE A 27 6.347 0.594 -0.642 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.941 1.489 -3.521 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.517 0.982 -2.947 1.00 0.10 H new ATOM 0 HD1 PHE A 27 3.991 -0.134 -3.462 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.022 -1.330 -2.520 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.364 -2.521 -3.797 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.398 -3.712 -2.865 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.070 -4.309 -3.505 1.00 0.23 H new ATOM 419 N SER A 28 7.047 2.993 0.128 1.00 0.11 N ATOM 420 CA SER A 28 7.777 4.249 0.466 1.00 0.12 C ATOM 421 C SER A 28 9.110 3.895 1.109 1.00 0.10 C ATOM 422 O SER A 28 9.590 2.784 1.005 1.00 0.11 O ATOM 423 CB SER A 28 6.937 5.060 1.454 1.00 0.17 C ATOM 424 OG SER A 28 5.746 5.495 0.809 1.00 1.03 O ATOM 0 H SER A 28 6.727 2.452 0.932 1.00 0.11 H new ATOM 0 HA SER A 28 7.952 4.833 -0.437 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.692 4.453 2.325 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.505 5.918 1.813 1.00 0.17 H new ATOM 0 HG SER A 28 5.339 4.742 0.332 1.00 1.03 H new ATOM 430 N ALA A 29 9.706 4.836 1.779 1.00 0.10 N ATOM 431 CA ALA A 29 11.014 4.579 2.450 1.00 0.15 C ATOM 432 C ALA A 29 11.008 5.289 3.806 1.00 0.18 C ATOM 433 O ALA A 29 10.852 6.490 3.894 1.00 0.26 O ATOM 434 CB ALA A 29 12.146 5.122 1.569 1.00 0.19 C ATOM 0 H ALA A 29 9.343 5.782 1.894 1.00 0.10 H new ATOM 0 HA ALA A 29 11.168 3.510 2.599 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.105 4.937 2.054 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.126 4.621 0.601 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.013 6.194 1.425 1.00 0.19 H new ATOM 440 N THR A 30 11.154 4.541 4.864 1.00 0.18 N ATOM 441 CA THR A 30 11.133 5.152 6.225 1.00 0.23 C ATOM 442 C THR A 30 12.306 6.122 6.398 1.00 0.26 C ATOM 443 O THR A 30 12.264 7.016 7.220 1.00 0.31 O ATOM 444 CB THR A 30 11.232 4.042 7.276 1.00 0.26 C ATOM 445 OG1 THR A 30 11.255 4.622 8.573 1.00 0.32 O ATOM 446 CG2 THR A 30 12.512 3.237 7.052 1.00 0.28 C ATOM 0 H THR A 30 11.287 3.530 4.846 1.00 0.18 H new ATOM 0 HA THR A 30 10.202 5.704 6.350 1.00 0.23 H new ATOM 0 HB THR A 30 10.370 3.380 7.189 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.317 3.913 9.247 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.581 2.448 7.801 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.493 2.793 6.057 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.376 3.896 7.139 1.00 0.28 H new ATOM 454 N TRP A 31 13.358 5.957 5.639 1.00 0.26 N ATOM 455 CA TRP A 31 14.534 6.871 5.776 1.00 0.32 C ATOM 456 C TRP A 31 14.382 8.069 4.836 1.00 0.32 C ATOM 457 O TRP A 31 15.094 9.048 4.944 1.00 0.36 O ATOM 458 CB TRP A 31 15.813 6.104 5.424 1.00 0.34 C ATOM 459 CG TRP A 31 15.864 5.836 3.954 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.377 4.731 3.348 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.422 6.673 2.903 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.613 4.826 1.987 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.250 6.008 1.660 1.00 0.29 C ATOM 464 CE3 TRP A 31 17.058 7.935 2.907 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.695 6.578 0.457 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.507 8.512 1.701 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.326 7.834 0.478 1.00 0.40 C ATOM 0 H TRP A 31 13.455 5.230 4.930 1.00 0.26 H new ATOM 0 HA TRP A 31 14.590 7.232 6.803 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.687 6.681 5.727 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.845 5.164 5.974 1.00 0.34 H new ATOM 0 HD1 TRP A 31 14.884 3.908 3.844 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.349 4.111 1.309 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.201 8.461 3.839 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.554 6.056 -0.478 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.991 9.477 1.714 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.672 8.280 -0.443 1.00 0.40 H new ATOM 478 N CYS A 32 13.470 7.995 3.905 1.00 0.28 N ATOM 479 CA CYS A 32 13.281 9.119 2.942 1.00 0.30 C ATOM 480 C CYS A 32 12.149 10.033 3.429 1.00 0.31 C ATOM 481 O CYS A 32 11.102 9.582 3.849 1.00 0.29 O ATOM 482 CB CYS A 32 12.951 8.532 1.565 1.00 0.28 C ATOM 483 SG CYS A 32 13.551 9.646 0.268 1.00 0.32 S ATOM 0 H CYS A 32 12.845 7.201 3.769 1.00 0.28 H new ATOM 0 HA CYS A 32 14.191 9.714 2.871 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.412 7.550 1.457 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.875 8.391 1.467 1.00 0.28 H new ATOM 488 N GLY A 33 12.371 11.319 3.384 1.00 0.34 N ATOM 489 CA GLY A 33 11.343 12.292 3.849 1.00 0.36 C ATOM 490 C GLY A 33 10.179 12.415 2.848 1.00 0.35 C ATOM 491 O GLY A 33 9.045 12.203 3.219 1.00 0.33 O ATOM 0 H GLY A 33 13.233 11.741 3.040 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.957 11.978 4.819 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.805 13.269 3.991 1.00 0.36 H new ATOM 495 N PRO A 34 10.475 12.787 1.618 1.00 0.37 N ATOM 496 CA PRO A 34 9.428 12.973 0.590 1.00 0.38 C ATOM 497 C PRO A 34 8.436 11.802 0.565 1.00 0.35 C ATOM 498 O PRO A 34 7.242 11.999 0.470 1.00 0.36 O ATOM 499 CB PRO A 34 10.210 13.096 -0.739 1.00 0.42 C ATOM 500 CG PRO A 34 11.688 13.392 -0.359 1.00 0.44 C ATOM 501 CD PRO A 34 11.853 13.045 1.140 1.00 0.40 C ATOM 0 HA PRO A 34 8.813 13.851 0.786 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.136 12.176 -1.319 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.801 13.896 -1.357 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.368 12.798 -0.969 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.930 14.439 -0.540 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.490 12.171 1.277 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.316 13.866 1.688 1.00 0.40 H new ATOM 509 N ALA A 35 8.904 10.591 0.650 1.00 0.33 N ATOM 510 CA ALA A 35 7.956 9.443 0.626 1.00 0.32 C ATOM 511 C ALA A 35 7.246 9.359 1.978 1.00 0.39 C ATOM 512 O ALA A 35 6.034 9.370 2.060 1.00 0.81 O ATOM 513 CB ALA A 35 8.729 8.148 0.366 1.00 0.36 C ATOM 0 H ALA A 35 9.891 10.346 0.734 1.00 0.33 H new ATOM 0 HA ALA A 35 7.221 9.584 -0.166 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.035 7.307 0.348 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.241 8.216 -0.594 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.462 7.997 1.158 1.00 0.36 H new ATOM 519 N LYS A 36 7.999 9.284 3.035 1.00 0.30 N ATOM 520 CA LYS A 36 7.395 9.210 4.394 1.00 0.28 C ATOM 521 C LYS A 36 6.534 10.450 4.646 1.00 0.24 C ATOM 522 O LYS A 36 5.693 10.470 5.524 1.00 0.25 O ATOM 523 CB LYS A 36 8.529 9.151 5.421 1.00 0.35 C ATOM 524 CG LYS A 36 7.970 8.818 6.802 1.00 0.38 C ATOM 525 CD LYS A 36 9.096 8.899 7.834 1.00 0.49 C ATOM 526 CE LYS A 36 8.560 8.506 9.212 1.00 1.22 C ATOM 527 NZ LYS A 36 7.586 9.534 9.678 1.00 1.92 N ATOM 0 H LYS A 36 9.019 9.271 3.017 1.00 0.30 H new ATOM 0 HA LYS A 36 6.765 8.324 4.477 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.259 8.398 5.125 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.051 10.107 5.453 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.172 9.514 7.062 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.534 7.819 6.800 1.00 0.38 H new ATOM 0 HD2 LYS A 36 9.913 8.236 7.548 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.502 9.910 7.866 1.00 0.49 H new ATOM 0 HE2 LYS A 36 8.078 7.530 9.162 1.00 1.22 H new ATOM 0 HE3 LYS A 36 9.382 8.420 9.923 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 7.209 9.259 10.607 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.064 10.454 9.757 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 6.805 9.607 8.995 1.00 1.92 H new ATOM 541 N MET A 37 6.745 11.488 3.889 1.00 0.23 N ATOM 542 CA MET A 37 5.954 12.734 4.089 1.00 0.24 C ATOM 543 C MET A 37 4.464 12.474 3.848 1.00 0.20 C ATOM 544 O MET A 37 3.619 13.222 4.300 1.00 0.20 O ATOM 545 CB MET A 37 6.444 13.810 3.113 1.00 0.29 C ATOM 546 CG MET A 37 5.688 15.124 3.358 1.00 1.31 C ATOM 547 SD MET A 37 4.122 15.101 2.450 1.00 2.12 S ATOM 548 CE MET A 37 3.685 16.838 2.708 1.00 3.13 C ATOM 0 H MET A 37 7.433 11.528 3.137 1.00 0.23 H new ATOM 0 HA MET A 37 6.089 13.071 5.117 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.515 13.968 3.240 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.290 13.478 2.086 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.500 15.254 4.424 1.00 1.31 H new ATOM 0 HG3 MET A 37 6.295 15.970 3.036 1.00 1.31 H new ATOM 0 HE1 MET A 37 2.733 17.050 2.222 1.00 3.13 H new ATOM 0 HE2 MET A 37 3.599 17.037 3.776 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.460 17.475 2.281 1.00 3.13 H new ATOM 558 N ILE A 38 4.129 11.440 3.117 1.00 0.18 N ATOM 559 CA ILE A 38 2.686 11.162 2.818 1.00 0.15 C ATOM 560 C ILE A 38 2.113 10.119 3.779 1.00 0.16 C ATOM 561 O ILE A 38 1.051 9.577 3.547 1.00 0.16 O ATOM 562 CB ILE A 38 2.555 10.650 1.375 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.255 11.642 0.426 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.064 10.511 0.989 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.299 11.079 -1.012 1.00 0.28 C ATOM 0 H ILE A 38 4.790 10.776 2.714 1.00 0.18 H new ATOM 0 HA ILE A 38 2.125 12.088 2.942 1.00 0.15 H new ATOM 0 HB ILE A 38 3.024 9.670 1.294 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.726 12.595 0.433 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.268 11.837 0.777 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.986 10.147 -0.036 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.578 9.805 1.663 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.576 11.482 1.068 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.797 11.794 -1.667 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.848 10.138 -1.018 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.283 10.908 -1.367 1.00 0.28 H new ATOM 577 N LYS A 39 2.777 9.824 4.866 1.00 0.19 N ATOM 578 CA LYS A 39 2.198 8.811 5.789 1.00 0.22 C ATOM 579 C LYS A 39 0.919 9.301 6.487 1.00 0.20 C ATOM 580 O LYS A 39 0.071 8.490 6.785 1.00 0.21 O ATOM 581 CB LYS A 39 3.222 8.297 6.839 1.00 0.31 C ATOM 582 CG LYS A 39 3.424 9.273 8.031 1.00 0.34 C ATOM 583 CD LYS A 39 3.923 8.498 9.262 1.00 0.45 C ATOM 584 CE LYS A 39 5.134 7.638 8.894 1.00 1.16 C ATOM 585 NZ LYS A 39 4.672 6.300 8.430 1.00 1.62 N ATOM 0 H LYS A 39 3.670 10.229 5.147 1.00 0.19 H new ATOM 0 HA LYS A 39 1.927 7.971 5.150 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.887 7.333 7.221 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.181 8.130 6.349 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.143 10.047 7.761 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.486 9.777 8.263 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.192 9.196 10.055 1.00 0.45 H new ATOM 0 HD3 LYS A 39 3.124 7.866 9.651 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.715 8.125 8.111 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.791 7.528 9.757 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 5.264 5.560 8.859 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.681 6.158 8.712 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.748 6.246 7.394 1.00 1.62 H new ATOM 599 N PRO A 40 0.793 10.576 6.796 1.00 0.20 N ATOM 600 CA PRO A 40 -0.394 11.022 7.532 1.00 0.21 C ATOM 601 C PRO A 40 -1.656 10.828 6.683 1.00 0.17 C ATOM 602 O PRO A 40 -2.760 10.988 7.160 1.00 0.20 O ATOM 603 CB PRO A 40 -0.132 12.508 7.858 1.00 0.24 C ATOM 604 CG PRO A 40 1.277 12.862 7.302 1.00 0.25 C ATOM 605 CD PRO A 40 1.743 11.662 6.450 1.00 0.21 C ATOM 0 HA PRO A 40 -0.563 10.448 8.443 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.894 13.141 7.404 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.175 12.679 8.934 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.237 13.770 6.700 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.976 13.051 8.117 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.712 11.894 5.385 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.770 11.382 6.685 1.00 0.21 H new ATOM 613 N PHE A 41 -1.498 10.485 5.431 1.00 0.14 N ATOM 614 CA PHE A 41 -2.684 10.278 4.542 1.00 0.14 C ATOM 615 C PHE A 41 -2.883 8.784 4.300 1.00 0.11 C ATOM 616 O PHE A 41 -3.795 8.183 4.826 1.00 0.13 O ATOM 617 CB PHE A 41 -2.444 10.991 3.209 1.00 0.15 C ATOM 618 CG PHE A 41 -2.717 12.463 3.390 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.744 13.289 3.980 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.952 13.001 2.985 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.006 14.662 4.163 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.218 14.370 3.169 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.244 15.203 3.757 1.00 0.27 C ATOM 0 H PHE A 41 -0.594 10.338 4.982 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.576 10.686 5.016 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.417 10.835 2.877 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.094 10.578 2.438 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.798 12.872 4.292 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.696 12.363 2.533 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.260 15.299 4.614 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.167 14.783 2.860 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.446 16.255 3.896 1.00 0.27 H new ATOM 633 N PHE A 42 -2.040 8.189 3.507 1.00 0.10 N ATOM 634 CA PHE A 42 -2.176 6.735 3.209 1.00 0.11 C ATOM 635 C PHE A 42 -2.526 5.946 4.480 1.00 0.11 C ATOM 636 O PHE A 42 -3.503 5.226 4.520 1.00 0.12 O ATOM 637 CB PHE A 42 -0.851 6.229 2.641 1.00 0.13 C ATOM 638 CG PHE A 42 -0.933 4.741 2.414 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.634 4.245 1.303 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.299 3.852 3.304 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.703 2.861 1.078 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.370 2.464 3.081 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.073 1.968 1.966 1.00 0.10 C ATOM 0 H PHE A 42 -1.255 8.650 3.047 1.00 0.10 H new ATOM 0 HA PHE A 42 -2.980 6.591 2.488 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.628 6.738 1.704 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.038 6.458 3.330 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.120 4.928 0.622 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.241 4.235 4.157 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.240 2.480 0.222 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.114 1.781 3.764 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.129 0.904 1.792 1.00 0.10 H new ATOM 653 N HIS A 43 -1.742 6.073 5.512 1.00 0.14 N ATOM 654 CA HIS A 43 -2.037 5.325 6.771 1.00 0.16 C ATOM 655 C HIS A 43 -3.324 5.865 7.418 1.00 0.16 C ATOM 656 O HIS A 43 -4.082 5.122 8.009 1.00 0.18 O ATOM 657 CB HIS A 43 -0.828 5.450 7.730 1.00 0.21 C ATOM 658 CG HIS A 43 -1.257 5.333 9.172 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.176 4.145 9.880 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.796 6.253 10.039 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.658 4.377 11.115 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.051 5.646 11.265 1.00 0.39 N ATOM 0 H HIS A 43 -0.909 6.661 5.541 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.197 4.270 6.548 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.098 4.673 7.501 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.334 6.409 7.572 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.992 7.289 9.805 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.720 3.628 11.891 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.451 6.077 12.098 1.00 0.39 H new ATOM 670 N SER A 44 -3.573 7.139 7.328 1.00 0.20 N ATOM 671 CA SER A 44 -4.807 7.693 7.959 1.00 0.25 C ATOM 672 C SER A 44 -6.052 7.049 7.340 1.00 0.20 C ATOM 673 O SER A 44 -7.017 6.772 8.025 1.00 0.21 O ATOM 674 CB SER A 44 -4.854 9.205 7.756 1.00 0.34 C ATOM 675 OG SER A 44 -6.179 9.668 7.983 1.00 0.97 O ATOM 0 H SER A 44 -2.982 7.819 6.849 1.00 0.20 H new ATOM 0 HA SER A 44 -4.789 7.472 9.026 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.162 9.697 8.440 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.536 9.458 6.744 1.00 0.34 H new ATOM 0 HG SER A 44 -6.213 10.639 7.855 1.00 0.97 H new ATOM 681 N LEU A 45 -6.047 6.809 6.056 1.00 0.18 N ATOM 682 CA LEU A 45 -7.243 6.184 5.416 1.00 0.18 C ATOM 683 C LEU A 45 -7.629 4.919 6.187 1.00 0.16 C ATOM 684 O LEU A 45 -8.726 4.416 6.061 1.00 0.23 O ATOM 685 CB LEU A 45 -6.924 5.810 3.962 1.00 0.19 C ATOM 686 CG LEU A 45 -6.504 7.053 3.165 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.190 6.642 1.723 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.639 8.093 3.168 1.00 0.50 C ATOM 0 H LEU A 45 -5.273 7.017 5.425 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.069 6.895 5.433 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.125 5.069 3.938 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.798 5.352 3.498 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.620 7.494 3.626 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.891 7.520 1.151 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.379 5.914 1.721 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.077 6.199 1.270 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.330 8.970 2.600 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.530 7.661 2.712 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.862 8.385 4.194 1.00 0.50 H new ATOM 700 N SER A 46 -6.735 4.401 6.984 1.00 0.20 N ATOM 701 CA SER A 46 -7.057 3.169 7.759 1.00 0.25 C ATOM 702 C SER A 46 -8.291 3.412 8.630 1.00 0.17 C ATOM 703 O SER A 46 -9.044 2.505 8.923 1.00 0.15 O ATOM 704 CB SER A 46 -5.871 2.801 8.651 1.00 0.36 C ATOM 705 OG SER A 46 -4.726 2.572 7.841 1.00 0.51 O ATOM 0 H SER A 46 -5.798 4.776 7.132 1.00 0.20 H new ATOM 0 HA SER A 46 -7.260 2.353 7.065 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.673 3.604 9.362 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.103 1.909 9.234 1.00 0.36 H new ATOM 0 HG SER A 46 -4.174 3.381 7.819 1.00 0.51 H new ATOM 711 N GLU A 47 -8.502 4.630 9.060 1.00 0.21 N ATOM 712 CA GLU A 47 -9.684 4.930 9.927 1.00 0.21 C ATOM 713 C GLU A 47 -10.847 5.442 9.073 1.00 0.18 C ATOM 714 O GLU A 47 -11.993 5.379 9.471 1.00 0.18 O ATOM 715 CB GLU A 47 -9.297 6.002 10.950 1.00 0.32 C ATOM 716 CG GLU A 47 -7.900 5.706 11.493 1.00 0.39 C ATOM 717 CD GLU A 47 -7.591 6.652 12.655 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.417 6.753 13.547 1.00 2.00 O ATOM 719 OE2 GLU A 47 -6.535 7.261 12.631 1.00 1.98 O ATOM 0 H GLU A 47 -7.907 5.431 8.849 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.993 4.019 10.440 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.317 6.988 10.485 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.020 6.020 11.766 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.841 4.670 11.828 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.158 5.829 10.704 1.00 0.39 H new ATOM 726 N LYS A 48 -10.563 5.953 7.906 1.00 0.18 N ATOM 727 CA LYS A 48 -11.656 6.475 7.033 1.00 0.17 C ATOM 728 C LYS A 48 -12.171 5.351 6.134 1.00 0.15 C ATOM 729 O LYS A 48 -13.267 5.416 5.614 1.00 0.18 O ATOM 730 CB LYS A 48 -11.108 7.608 6.167 1.00 0.21 C ATOM 731 CG LYS A 48 -12.257 8.257 5.391 1.00 0.26 C ATOM 732 CD LYS A 48 -11.768 9.555 4.744 1.00 1.09 C ATOM 733 CE LYS A 48 -12.796 10.033 3.717 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.414 11.388 3.228 1.00 2.16 N ATOM 0 H LYS A 48 -9.623 6.032 7.519 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.473 6.847 7.651 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.612 8.350 6.792 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.360 7.222 5.475 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.625 7.573 4.626 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -13.091 8.464 6.061 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.618 10.319 5.506 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.804 9.392 4.261 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.845 9.334 2.882 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.789 10.063 4.166 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.112 11.715 2.530 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -12.389 12.052 4.028 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -11.474 11.345 2.784 1.00 2.16 H new ATOM 748 N TYR A 49 -11.387 4.320 5.950 1.00 0.13 N ATOM 749 CA TYR A 49 -11.818 3.177 5.085 1.00 0.13 C ATOM 750 C TYR A 49 -11.489 1.859 5.788 1.00 0.11 C ATOM 751 O TYR A 49 -10.629 1.113 5.361 1.00 0.11 O ATOM 752 CB TYR A 49 -11.076 3.248 3.743 1.00 0.15 C ATOM 753 CG TYR A 49 -11.750 4.264 2.850 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.988 3.955 2.259 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.148 5.515 2.615 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.626 4.894 1.430 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.785 6.457 1.787 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.026 6.148 1.193 1.00 0.21 C ATOM 759 OH TYR A 49 -13.653 7.072 0.381 1.00 0.24 O ATOM 0 H TYR A 49 -10.460 4.219 6.364 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.892 3.233 4.907 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.034 3.524 3.905 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.075 2.269 3.263 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.449 2.996 2.442 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.198 5.751 3.070 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.576 4.655 0.975 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.324 7.417 1.606 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.105 7.883 0.324 1.00 0.24 H new ATOM 769 N SER A 50 -12.171 1.564 6.860 1.00 0.12 N ATOM 770 CA SER A 50 -11.903 0.293 7.586 1.00 0.13 C ATOM 771 C SER A 50 -12.334 -0.884 6.710 1.00 0.13 C ATOM 772 O SER A 50 -12.114 -2.033 7.041 1.00 0.14 O ATOM 773 CB SER A 50 -12.696 0.275 8.891 1.00 0.16 C ATOM 774 OG SER A 50 -14.086 0.273 8.597 1.00 0.17 O ATOM 0 H SER A 50 -12.902 2.149 7.264 1.00 0.12 H new ATOM 0 HA SER A 50 -10.839 0.214 7.810 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.435 -0.607 9.476 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.442 1.145 9.496 1.00 0.16 H new ATOM 0 HG SER A 50 -14.597 0.260 9.433 1.00 0.17 H new ATOM 780 N ASN A 51 -12.951 -0.603 5.593 1.00 0.13 N ATOM 781 CA ASN A 51 -13.406 -1.693 4.682 1.00 0.15 C ATOM 782 C ASN A 51 -12.339 -1.945 3.619 1.00 0.13 C ATOM 783 O ASN A 51 -12.507 -2.763 2.737 1.00 0.14 O ATOM 784 CB ASN A 51 -14.709 -1.267 4.004 1.00 0.17 C ATOM 785 CG ASN A 51 -15.271 -2.436 3.193 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.972 -2.578 2.023 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.080 -3.284 3.767 1.00 0.32 N ATOM 0 H ASN A 51 -13.161 0.342 5.271 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.570 -2.606 5.254 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.434 -0.949 4.754 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.529 -0.412 3.352 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.461 -4.066 3.234 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.331 -3.165 4.748 1.00 0.32 H new ATOM 794 N VAL A 52 -11.236 -1.245 3.706 1.00 0.11 N ATOM 795 CA VAL A 52 -10.128 -1.424 2.716 1.00 0.10 C ATOM 796 C VAL A 52 -8.875 -1.886 3.454 1.00 0.10 C ATOM 797 O VAL A 52 -8.635 -1.512 4.584 1.00 0.11 O ATOM 798 CB VAL A 52 -9.836 -0.090 2.037 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.696 -0.268 1.034 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.091 0.395 1.311 1.00 0.12 C ATOM 0 H VAL A 52 -11.053 -0.549 4.429 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.419 -2.162 1.969 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.545 0.646 2.786 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.487 0.685 0.548 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.803 -0.613 1.555 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.984 -1.003 0.282 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.885 1.349 0.825 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.384 -0.339 0.560 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.901 0.522 2.029 1.00 0.12 H new ATOM 810 N ILE A 53 -8.073 -2.700 2.823 1.00 0.09 N ATOM 811 CA ILE A 53 -6.828 -3.197 3.481 1.00 0.09 C ATOM 812 C ILE A 53 -5.637 -2.360 3.000 1.00 0.09 C ATOM 813 O ILE A 53 -5.424 -2.194 1.817 1.00 0.14 O ATOM 814 CB ILE A 53 -6.610 -4.664 3.095 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.946 -5.434 3.143 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.582 -5.309 4.033 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.677 -5.228 4.480 1.00 0.17 C ATOM 0 H ILE A 53 -8.226 -3.045 1.875 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.920 -3.113 4.564 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.225 -4.707 2.076 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.586 -5.103 2.325 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.758 -6.497 2.991 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.435 -6.351 3.750 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.635 -4.775 3.957 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.945 -5.260 5.060 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.613 -5.787 4.473 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.049 -5.583 5.297 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.889 -4.168 4.619 1.00 0.17 H new ATOM 829 N PHE A 54 -4.862 -1.832 3.911 1.00 0.08 N ATOM 830 CA PHE A 54 -3.674 -1.000 3.528 1.00 0.08 C ATOM 831 C PHE A 54 -2.399 -1.718 3.960 1.00 0.08 C ATOM 832 O PHE A 54 -2.283 -2.181 5.077 1.00 0.11 O ATOM 833 CB PHE A 54 -3.761 0.354 4.235 1.00 0.08 C ATOM 834 CG PHE A 54 -5.008 1.070 3.774 1.00 0.08 C ATOM 835 CD1 PHE A 54 -5.081 1.569 2.461 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.098 1.234 4.652 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.241 2.234 2.023 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.258 1.900 4.214 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.330 2.400 2.899 1.00 0.09 C ATOM 0 H PHE A 54 -5.000 -1.941 4.916 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.660 -0.849 2.449 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.785 0.214 5.316 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.878 0.953 4.011 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.246 1.442 1.788 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.043 0.849 5.660 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.296 2.617 1.015 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.093 2.028 4.886 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.221 2.911 2.563 1.00 0.09 H new ATOM 849 N LEU A 55 -1.441 -1.819 3.075 1.00 0.08 N ATOM 850 CA LEU A 55 -0.155 -2.511 3.403 1.00 0.09 C ATOM 851 C LEU A 55 0.980 -1.482 3.408 1.00 0.09 C ATOM 852 O LEU A 55 0.808 -0.343 3.019 1.00 0.10 O ATOM 853 CB LEU A 55 0.143 -3.575 2.328 1.00 0.10 C ATOM 854 CG LEU A 55 -0.632 -4.874 2.601 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.115 -4.580 2.851 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.495 -5.796 1.384 1.00 0.12 C ATOM 0 H LEU A 55 -1.494 -1.447 2.127 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.235 -2.986 4.381 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.126 -3.188 1.345 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.213 -3.784 2.306 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.221 -5.353 3.490 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.644 -5.514 3.042 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.215 -3.923 3.715 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.542 -4.094 1.974 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.041 -6.722 1.566 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.904 -5.300 0.504 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.558 -6.023 1.216 1.00 0.12 H new ATOM 868 N GLU A 56 2.144 -1.888 3.833 1.00 0.09 N ATOM 869 CA GLU A 56 3.319 -0.969 3.860 1.00 0.09 C ATOM 870 C GLU A 56 4.550 -1.777 3.456 1.00 0.09 C ATOM 871 O GLU A 56 4.664 -2.938 3.795 1.00 0.10 O ATOM 872 CB GLU A 56 3.504 -0.410 5.275 1.00 0.09 C ATOM 873 CG GLU A 56 4.455 0.788 5.229 1.00 0.11 C ATOM 874 CD GLU A 56 4.552 1.418 6.619 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.568 1.987 7.061 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.611 1.322 7.219 1.00 1.31 O ATOM 0 H GLU A 56 2.335 -2.832 4.168 1.00 0.09 H new ATOM 0 HA GLU A 56 3.170 -0.134 3.175 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.541 -0.108 5.687 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.905 -1.181 5.933 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.442 0.469 4.893 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.095 1.523 4.509 1.00 0.11 H new ATOM 883 N VAL A 57 5.460 -1.196 2.713 1.00 0.08 N ATOM 884 CA VAL A 57 6.664 -1.968 2.270 1.00 0.08 C ATOM 885 C VAL A 57 7.927 -1.104 2.333 1.00 0.09 C ATOM 886 O VAL A 57 7.946 0.033 1.898 1.00 0.14 O ATOM 887 CB VAL A 57 6.447 -2.437 0.830 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.642 -3.278 0.385 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.172 -3.280 0.753 1.00 0.09 C ATOM 0 H VAL A 57 5.423 -0.227 2.396 1.00 0.08 H new ATOM 0 HA VAL A 57 6.798 -2.820 2.936 1.00 0.08 H new ATOM 0 HB VAL A 57 6.348 -1.570 0.176 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.489 -3.613 -0.641 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.550 -2.677 0.439 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.741 -4.145 1.039 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.018 -3.614 -0.273 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.269 -4.147 1.406 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.319 -2.680 1.071 1.00 0.09 H new ATOM 899 N ASP A 58 8.991 -1.666 2.851 1.00 0.09 N ATOM 900 CA ASP A 58 10.291 -0.934 2.937 1.00 0.09 C ATOM 901 C ASP A 58 11.130 -1.338 1.722 1.00 0.10 C ATOM 902 O ASP A 58 11.674 -2.422 1.664 1.00 0.11 O ATOM 903 CB ASP A 58 11.013 -1.346 4.224 1.00 0.11 C ATOM 904 CG ASP A 58 12.277 -0.506 4.420 1.00 0.13 C ATOM 905 OD1 ASP A 58 12.979 -0.298 3.451 1.00 1.06 O ATOM 906 OD2 ASP A 58 12.530 -0.100 5.543 1.00 1.08 O ATOM 0 H ASP A 58 9.013 -2.615 3.223 1.00 0.09 H new ATOM 0 HA ASP A 58 10.133 0.144 2.949 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.348 -1.218 5.078 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.275 -2.403 4.179 1.00 0.11 H new ATOM 911 N VAL A 59 11.212 -0.487 0.738 1.00 0.12 N ATOM 912 CA VAL A 59 11.984 -0.834 -0.493 1.00 0.15 C ATOM 913 C VAL A 59 13.448 -1.125 -0.153 1.00 0.18 C ATOM 914 O VAL A 59 14.206 -1.565 -0.994 1.00 0.27 O ATOM 915 CB VAL A 59 11.917 0.336 -1.474 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.492 0.471 -2.011 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.317 1.627 -0.756 1.00 0.22 C ATOM 0 H VAL A 59 10.778 0.436 0.731 1.00 0.12 H new ATOM 0 HA VAL A 59 11.547 -1.727 -0.940 1.00 0.15 H new ATOM 0 HB VAL A 59 12.601 0.155 -2.303 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.444 1.305 -2.711 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.207 -0.448 -2.523 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.807 0.652 -1.183 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.269 2.462 -1.455 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.633 1.809 0.073 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.333 1.531 -0.374 1.00 0.22 H new ATOM 927 N ASP A 60 13.859 -0.875 1.063 1.00 0.16 N ATOM 928 CA ASP A 60 15.287 -1.121 1.451 1.00 0.18 C ATOM 929 C ASP A 60 15.401 -2.382 2.311 1.00 0.17 C ATOM 930 O ASP A 60 16.296 -3.185 2.136 1.00 0.18 O ATOM 931 CB ASP A 60 15.789 0.071 2.257 1.00 0.21 C ATOM 932 CG ASP A 60 15.572 1.357 1.458 1.00 0.24 C ATOM 933 OD1 ASP A 60 15.662 1.299 0.243 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.318 2.378 2.076 1.00 1.11 O ATOM 0 H ASP A 60 13.267 -0.510 1.809 1.00 0.16 H new ATOM 0 HA ASP A 60 15.882 -1.254 0.547 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.260 0.128 3.209 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.847 -0.052 2.487 1.00 0.21 H new ATOM 939 N ASP A 61 14.511 -2.559 3.249 1.00 0.17 N ATOM 940 CA ASP A 61 14.575 -3.762 4.132 1.00 0.17 C ATOM 941 C ASP A 61 13.743 -4.890 3.508 1.00 0.16 C ATOM 942 O ASP A 61 13.836 -6.033 3.910 1.00 0.18 O ATOM 943 CB ASP A 61 14.039 -3.380 5.526 1.00 0.19 C ATOM 944 CG ASP A 61 13.597 -4.627 6.299 1.00 0.22 C ATOM 945 OD1 ASP A 61 12.531 -5.139 6.000 1.00 1.12 O ATOM 946 OD2 ASP A 61 14.334 -5.048 7.177 1.00 1.07 O ATOM 0 H ASP A 61 13.739 -1.921 3.444 1.00 0.17 H new ATOM 0 HA ASP A 61 15.602 -4.112 4.235 1.00 0.17 H new ATOM 0 HB2 ASP A 61 14.812 -2.854 6.086 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.198 -2.694 5.422 1.00 0.19 H new ATOM 951 N ALA A 62 12.948 -4.575 2.516 1.00 0.16 N ATOM 952 CA ALA A 62 12.116 -5.616 1.831 1.00 0.16 C ATOM 953 C ALA A 62 12.405 -5.557 0.328 1.00 0.16 C ATOM 954 O ALA A 62 11.509 -5.606 -0.491 1.00 0.15 O ATOM 955 CB ALA A 62 10.632 -5.336 2.083 1.00 0.17 C ATOM 0 H ALA A 62 12.838 -3.631 2.146 1.00 0.16 H new ATOM 0 HA ALA A 62 12.359 -6.605 2.219 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.029 -6.094 1.584 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.434 -5.362 3.154 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.376 -4.352 1.690 1.00 0.17 H new ATOM 961 N GLN A 63 13.654 -5.442 -0.033 1.00 0.20 N ATOM 962 CA GLN A 63 14.019 -5.367 -1.477 1.00 0.22 C ATOM 963 C GLN A 63 13.452 -6.577 -2.221 1.00 0.20 C ATOM 964 O GLN A 63 13.353 -6.578 -3.432 1.00 0.20 O ATOM 965 CB GLN A 63 15.542 -5.352 -1.619 1.00 0.29 C ATOM 966 CG GLN A 63 16.143 -4.383 -0.597 1.00 0.90 C ATOM 967 CD GLN A 63 17.617 -4.141 -0.928 1.00 1.53 C ATOM 968 OE1 GLN A 63 17.953 -3.804 -2.046 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.518 -4.297 0.004 1.00 2.22 N ATOM 0 H GLN A 63 14.442 -5.397 0.614 1.00 0.20 H new ATOM 0 HA GLN A 63 13.602 -4.455 -1.904 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.942 -6.354 -1.464 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.820 -5.050 -2.629 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.597 -3.440 -0.610 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.048 -4.793 0.408 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.237 -4.580 0.943 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.503 -4.136 -0.207 1.00 2.22 H new ATOM 978 N ASP A 64 13.077 -7.605 -1.513 1.00 0.19 N ATOM 979 CA ASP A 64 12.519 -8.805 -2.192 1.00 0.20 C ATOM 980 C ASP A 64 11.143 -8.464 -2.762 1.00 0.17 C ATOM 981 O ASP A 64 10.791 -8.878 -3.849 1.00 0.19 O ATOM 982 CB ASP A 64 12.398 -9.955 -1.185 1.00 0.22 C ATOM 983 CG ASP A 64 11.887 -9.425 0.156 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.560 -8.252 0.226 1.00 1.09 O ATOM 985 OD2 ASP A 64 11.827 -10.203 1.094 1.00 1.11 O ATOM 0 H ASP A 64 13.133 -7.666 -0.496 1.00 0.19 H new ATOM 0 HA ASP A 64 13.181 -9.111 -3.002 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.717 -10.715 -1.568 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.367 -10.435 -1.050 1.00 0.22 H new ATOM 990 N VAL A 65 10.364 -7.701 -2.047 1.00 0.15 N ATOM 991 CA VAL A 65 9.021 -7.326 -2.562 1.00 0.16 C ATOM 992 C VAL A 65 9.195 -6.263 -3.647 1.00 0.16 C ATOM 993 O VAL A 65 8.596 -6.335 -4.703 1.00 0.19 O ATOM 994 CB VAL A 65 8.168 -6.773 -1.419 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.707 -6.703 -1.863 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.286 -7.697 -0.202 1.00 0.18 C ATOM 0 H VAL A 65 10.600 -7.322 -1.130 1.00 0.15 H new ATOM 0 HA VAL A 65 8.521 -8.200 -2.979 1.00 0.16 H new ATOM 0 HB VAL A 65 8.517 -5.775 -1.154 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.098 -6.309 -1.049 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.621 -6.048 -2.730 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.359 -7.702 -2.126 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.679 -7.304 0.613 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.936 -8.695 -0.467 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.328 -7.750 0.115 1.00 0.18 H new ATOM 1006 N ALA A 66 10.026 -5.282 -3.404 1.00 0.16 N ATOM 1007 CA ALA A 66 10.252 -4.226 -4.431 1.00 0.18 C ATOM 1008 C ALA A 66 10.869 -4.872 -5.669 1.00 0.19 C ATOM 1009 O ALA A 66 10.596 -4.486 -6.789 1.00 0.20 O ATOM 1010 CB ALA A 66 11.211 -3.162 -3.882 1.00 0.22 C ATOM 0 H ALA A 66 10.556 -5.168 -2.540 1.00 0.16 H new ATOM 0 HA ALA A 66 9.304 -3.753 -4.686 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.372 -2.393 -4.637 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.780 -2.709 -2.989 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.164 -3.627 -3.629 1.00 0.22 H new ATOM 1016 N SER A 67 11.698 -5.863 -5.476 1.00 0.21 N ATOM 1017 CA SER A 67 12.331 -6.543 -6.638 1.00 0.26 C ATOM 1018 C SER A 67 11.247 -7.230 -7.469 1.00 0.26 C ATOM 1019 O SER A 67 11.233 -7.150 -8.681 1.00 0.29 O ATOM 1020 CB SER A 67 13.329 -7.587 -6.138 1.00 0.31 C ATOM 1021 OG SER A 67 14.488 -6.928 -5.641 1.00 1.29 O ATOM 0 H SER A 67 11.963 -6.230 -4.562 1.00 0.21 H new ATOM 0 HA SER A 67 12.854 -5.809 -7.251 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.876 -8.193 -5.353 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.601 -8.265 -6.948 1.00 0.31 H new ATOM 0 HG SER A 67 14.245 -6.379 -4.866 1.00 1.29 H new ATOM 1027 N GLU A 68 10.336 -7.905 -6.821 1.00 0.26 N ATOM 1028 CA GLU A 68 9.246 -8.597 -7.563 1.00 0.30 C ATOM 1029 C GLU A 68 8.383 -7.561 -8.285 1.00 0.31 C ATOM 1030 O GLU A 68 7.925 -7.781 -9.389 1.00 0.36 O ATOM 1031 CB GLU A 68 8.380 -9.381 -6.575 1.00 0.31 C ATOM 1032 CG GLU A 68 7.362 -10.225 -7.342 1.00 0.39 C ATOM 1033 CD GLU A 68 6.461 -10.965 -6.350 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.635 -10.762 -5.160 1.00 2.20 O ATOM 1035 OE2 GLU A 68 5.615 -11.720 -6.797 1.00 2.19 O ATOM 0 H GLU A 68 10.301 -8.007 -5.807 1.00 0.26 H new ATOM 0 HA GLU A 68 9.679 -9.281 -8.293 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.007 -10.023 -5.956 1.00 0.31 H new ATOM 0 HB3 GLU A 68 7.865 -8.694 -5.903 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.761 -9.588 -7.991 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.877 -10.939 -7.985 1.00 0.39 H new ATOM 1042 N ALA A 69 8.151 -6.432 -7.667 1.00 0.29 N ATOM 1043 CA ALA A 69 7.308 -5.381 -8.316 1.00 0.31 C ATOM 1044 C ALA A 69 8.181 -4.471 -9.186 1.00 0.29 C ATOM 1045 O ALA A 69 7.694 -3.556 -9.821 1.00 0.33 O ATOM 1046 CB ALA A 69 6.624 -4.542 -7.236 1.00 0.31 C ATOM 0 H ALA A 69 8.508 -6.191 -6.742 1.00 0.29 H new ATOM 0 HA ALA A 69 6.557 -5.862 -8.942 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.009 -3.775 -7.706 1.00 0.31 H new ATOM 0 HB2 ALA A 69 5.995 -5.185 -6.620 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.380 -4.068 -6.611 1.00 0.31 H new ATOM 1052 N GLU A 70 9.462 -4.712 -9.225 1.00 0.27 N ATOM 1053 CA GLU A 70 10.355 -3.856 -10.059 1.00 0.29 C ATOM 1054 C GLU A 70 10.079 -2.379 -9.760 1.00 0.25 C ATOM 1055 O GLU A 70 9.778 -1.601 -10.644 1.00 0.26 O ATOM 1056 CB GLU A 70 10.089 -4.131 -11.541 1.00 0.38 C ATOM 1057 CG GLU A 70 10.533 -5.555 -11.884 1.00 1.18 C ATOM 1058 CD GLU A 70 9.580 -6.559 -11.234 1.00 1.61 C ATOM 1059 OE1 GLU A 70 8.388 -6.295 -11.225 1.00 2.06 O ATOM 1060 OE2 GLU A 70 10.057 -7.575 -10.756 1.00 2.34 O ATOM 0 H GLU A 70 9.930 -5.463 -8.717 1.00 0.27 H new ATOM 0 HA GLU A 70 11.395 -4.086 -9.825 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.029 -4.007 -11.760 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.628 -3.412 -12.158 1.00 0.38 H new ATOM 0 HG2 GLU A 70 10.542 -5.694 -12.965 1.00 1.18 H new ATOM 0 HG3 GLU A 70 11.551 -5.724 -11.533 1.00 1.18 H new ATOM 1067 N VAL A 71 10.178 -1.987 -8.520 1.00 0.22 N ATOM 1068 CA VAL A 71 9.921 -0.563 -8.159 1.00 0.19 C ATOM 1069 C VAL A 71 11.153 0.281 -8.497 1.00 0.23 C ATOM 1070 O VAL A 71 12.272 -0.103 -8.219 1.00 0.28 O ATOM 1071 CB VAL A 71 9.623 -0.461 -6.660 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.081 0.932 -6.350 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.570 -1.504 -6.273 1.00 0.19 C ATOM 0 H VAL A 71 10.427 -2.593 -7.738 1.00 0.22 H new ATOM 0 HA VAL A 71 9.065 -0.194 -8.724 1.00 0.19 H new ATOM 0 HB VAL A 71 10.538 -0.639 -6.096 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.867 1.010 -5.284 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.823 1.681 -6.627 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.166 1.101 -6.917 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.359 -1.430 -5.206 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.655 -1.324 -6.837 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.945 -2.502 -6.500 1.00 0.19 H new ATOM 1083 N LYS A 72 10.954 1.428 -9.102 1.00 0.24 N ATOM 1084 CA LYS A 72 12.109 2.310 -9.475 1.00 0.29 C ATOM 1085 C LYS A 72 11.818 3.754 -9.048 1.00 0.26 C ATOM 1086 O LYS A 72 12.623 4.641 -9.248 1.00 0.27 O ATOM 1087 CB LYS A 72 12.314 2.259 -10.990 1.00 0.35 C ATOM 1088 CG LYS A 72 12.433 0.800 -11.439 1.00 0.43 C ATOM 1089 CD LYS A 72 12.646 0.744 -12.953 1.00 1.16 C ATOM 1090 CE LYS A 72 12.663 -0.715 -13.414 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.863 -1.401 -12.856 1.00 2.40 N ATOM 0 H LYS A 72 10.036 1.794 -9.355 1.00 0.24 H new ATOM 0 HA LYS A 72 13.009 1.961 -8.970 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.478 2.740 -11.497 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.213 2.810 -11.265 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.266 0.318 -10.927 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.531 0.251 -11.168 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.851 1.288 -13.463 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.585 1.231 -13.217 1.00 1.16 H new ATOM 0 HE2 LYS A 72 11.756 -1.222 -13.085 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.678 -0.763 -14.503 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.016 -2.298 -13.360 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 14.697 -0.791 -12.973 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 13.714 -1.594 -11.845 1.00 2.40 H new ATOM 1105 N ALA A 73 10.678 3.998 -8.458 1.00 0.22 N ATOM 1106 CA ALA A 73 10.345 5.389 -8.011 1.00 0.20 C ATOM 1107 C ALA A 73 9.392 5.309 -6.817 1.00 0.18 C ATOM 1108 O ALA A 73 8.377 4.655 -6.881 1.00 0.16 O ATOM 1109 CB ALA A 73 9.669 6.157 -9.167 1.00 0.21 C ATOM 0 H ALA A 73 9.962 3.298 -8.265 1.00 0.22 H new ATOM 0 HA ALA A 73 11.256 5.913 -7.722 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.428 7.168 -8.840 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.347 6.203 -10.019 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.754 5.642 -9.460 1.00 0.21 H new ATOM 1115 N THR A 74 9.710 5.975 -5.730 1.00 0.18 N ATOM 1116 CA THR A 74 8.818 5.937 -4.523 1.00 0.17 C ATOM 1117 C THR A 74 8.218 7.340 -4.301 1.00 0.17 C ATOM 1118 O THR A 74 8.851 8.321 -4.641 1.00 0.19 O ATOM 1119 CB THR A 74 9.660 5.557 -3.286 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.872 6.293 -3.312 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.994 4.047 -3.267 1.00 0.19 C ATOM 0 H THR A 74 10.550 6.544 -5.626 1.00 0.18 H new ATOM 0 HA THR A 74 8.023 5.207 -4.673 1.00 0.17 H new ATOM 0 HB THR A 74 9.079 5.791 -2.394 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.413 6.060 -2.529 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.587 3.817 -2.382 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.069 3.470 -3.244 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.561 3.788 -4.161 1.00 0.19 H new ATOM 1129 N PRO A 75 7.034 7.424 -3.711 1.00 0.17 N ATOM 1130 CA PRO A 75 6.219 6.260 -3.276 1.00 0.16 C ATOM 1131 C PRO A 75 5.525 5.614 -4.492 1.00 0.14 C ATOM 1132 O PRO A 75 5.095 6.300 -5.399 1.00 0.14 O ATOM 1133 CB PRO A 75 5.167 6.868 -2.319 1.00 0.17 C ATOM 1134 CG PRO A 75 5.234 8.416 -2.479 1.00 0.20 C ATOM 1135 CD PRO A 75 6.433 8.734 -3.401 1.00 0.19 C ATOM 0 HA PRO A 75 6.817 5.482 -2.801 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.170 6.500 -2.560 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.373 6.579 -1.288 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.308 8.798 -2.908 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.358 8.897 -1.509 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.109 9.244 -4.308 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.149 9.389 -2.905 1.00 0.19 H new ATOM 1143 N THR A 76 5.398 4.304 -4.504 1.00 0.13 N ATOM 1144 CA THR A 76 4.710 3.613 -5.647 1.00 0.12 C ATOM 1145 C THR A 76 3.446 2.955 -5.107 1.00 0.12 C ATOM 1146 O THR A 76 3.513 2.027 -4.326 1.00 0.18 O ATOM 1147 CB THR A 76 5.616 2.519 -6.249 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.959 2.965 -6.240 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.195 2.233 -7.694 1.00 0.13 C ATOM 0 H THR A 76 5.742 3.684 -3.771 1.00 0.13 H new ATOM 0 HA THR A 76 4.479 4.342 -6.423 1.00 0.12 H new ATOM 0 HB THR A 76 5.522 1.610 -5.656 1.00 0.12 H new ATOM 0 HG1 THR A 76 7.033 3.792 -6.761 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.838 1.460 -8.114 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.160 1.892 -7.711 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.287 3.143 -8.287 1.00 0.13 H new ATOM 1157 N PHE A 77 2.294 3.407 -5.514 1.00 0.09 N ATOM 1158 CA PHE A 77 1.045 2.769 -5.009 1.00 0.09 C ATOM 1159 C PHE A 77 0.668 1.632 -5.939 1.00 0.09 C ATOM 1160 O PHE A 77 0.479 1.815 -7.124 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.097 3.779 -4.961 1.00 0.10 C ATOM 1162 CG PHE A 77 0.188 4.789 -3.886 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.053 4.456 -2.542 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.684 6.062 -4.224 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.198 5.401 -1.530 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.939 7.008 -3.213 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.695 6.680 -1.866 1.00 0.12 C ATOM 0 H PHE A 77 2.162 4.180 -6.166 1.00 0.09 H new ATOM 0 HA PHE A 77 1.220 2.396 -4.000 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.201 4.275 -5.926 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.040 3.271 -4.760 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.430 3.477 -2.286 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.869 6.313 -5.258 1.00 0.14 H new ATOM 0 HE1 PHE A 77 0.011 5.149 -0.497 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.322 7.985 -3.471 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.888 7.406 -1.090 1.00 0.12 H new ATOM 1177 N GLN A 78 0.558 0.456 -5.397 1.00 0.07 N ATOM 1178 CA GLN A 78 0.190 -0.736 -6.208 1.00 0.07 C ATOM 1179 C GLN A 78 -1.072 -1.333 -5.598 1.00 0.06 C ATOM 1180 O GLN A 78 -1.191 -1.451 -4.394 1.00 0.07 O ATOM 1181 CB GLN A 78 1.338 -1.742 -6.151 1.00 0.08 C ATOM 1182 CG GLN A 78 2.661 -1.009 -6.371 1.00 0.12 C ATOM 1183 CD GLN A 78 3.774 -2.030 -6.613 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.546 -3.068 -7.201 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.979 -1.777 -6.180 1.00 1.03 N ATOM 0 H GLN A 78 0.710 0.265 -4.407 1.00 0.07 H new ATOM 0 HA GLN A 78 0.009 -0.472 -7.250 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.346 -2.249 -5.186 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.203 -2.510 -6.913 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.579 -0.335 -7.224 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.898 -0.395 -5.502 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.171 -0.905 -5.686 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.729 -2.451 -6.335 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.030 -1.675 -6.415 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.315 -2.228 -5.889 1.00 0.07 C ATOM 1196 C PHE A 79 -3.372 -3.732 -6.126 1.00 0.07 C ATOM 1197 O PHE A 79 -3.053 -4.222 -7.193 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.482 -1.546 -6.612 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.513 -0.085 -6.226 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.506 0.776 -6.680 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.537 0.409 -5.402 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.515 2.136 -6.318 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.552 1.766 -5.032 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.542 2.630 -5.489 1.00 0.11 C ATOM 0 H PHE A 79 -1.980 -1.595 -7.431 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.382 -2.040 -4.817 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.368 -1.648 -7.691 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.423 -2.026 -6.344 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.718 0.394 -7.312 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.314 -0.254 -5.052 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.739 2.798 -6.674 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.339 2.144 -4.397 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.553 3.672 -5.205 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.781 -4.466 -5.124 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.877 -5.948 -5.242 1.00 0.08 C ATOM 1216 C PHE A 80 -5.266 -6.388 -4.793 1.00 0.11 C ATOM 1217 O PHE A 80 -5.918 -5.733 -4.004 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.813 -6.603 -4.350 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.464 -6.547 -5.031 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -0.621 -5.436 -4.835 1.00 0.09 C ATOM 1221 CD2 PHE A 80 -1.046 -7.608 -5.859 1.00 0.14 C ATOM 1222 CE1 PHE A 80 0.637 -5.385 -5.465 1.00 0.11 C ATOM 1223 CE2 PHE A 80 0.215 -7.556 -6.488 1.00 0.17 C ATOM 1224 CZ PHE A 80 1.055 -6.444 -6.290 1.00 0.14 C ATOM 0 H PHE A 80 -4.056 -4.093 -4.215 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.711 -6.251 -6.276 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.766 -6.091 -3.389 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.084 -7.639 -4.146 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -0.940 -4.622 -4.201 1.00 0.09 H new ATOM 0 HD2 PHE A 80 -1.691 -8.461 -6.012 1.00 0.14 H new ATOM 0 HE1 PHE A 80 1.282 -4.532 -5.314 1.00 0.11 H new ATOM 0 HE2 PHE A 80 0.536 -8.369 -7.122 1.00 0.17 H new ATOM 0 HZ PHE A 80 2.021 -6.404 -6.772 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.720 -7.494 -5.294 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.062 -7.996 -4.912 1.00 0.14 C ATOM 1236 C LYS A 81 -7.065 -9.507 -5.122 1.00 0.14 C ATOM 1237 O LYS A 81 -6.762 -9.985 -6.195 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.124 -7.323 -5.795 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.502 -7.399 -5.124 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.491 -6.507 -5.880 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.769 -6.354 -5.056 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.781 -5.592 -5.843 1.00 1.48 N ATOM 0 H LYS A 81 -5.214 -8.079 -5.959 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.289 -7.766 -3.871 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.854 -6.281 -5.970 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.159 -7.811 -6.769 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.858 -8.429 -5.117 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.430 -7.079 -4.084 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.047 -5.529 -6.067 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.722 -6.943 -6.852 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.163 -7.335 -4.791 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.552 -5.834 -4.123 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.651 -5.488 -5.282 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.404 -4.651 -6.075 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.995 -6.105 -6.722 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.375 -10.257 -4.104 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.369 -11.740 -4.241 1.00 0.20 C ATOM 1258 C LYS A 82 -5.996 -12.212 -4.732 1.00 0.20 C ATOM 1259 O LYS A 82 -5.871 -13.261 -5.332 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.455 -12.178 -5.238 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.820 -12.208 -4.546 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.913 -12.448 -5.589 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.288 -12.369 -4.921 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.351 -12.546 -5.950 1.00 1.67 N ATOM 0 H LYS A 82 -7.633 -9.908 -3.181 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.575 -12.187 -3.268 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.482 -11.491 -6.084 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.218 -13.165 -5.636 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.841 -12.996 -3.793 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -9.998 -11.266 -4.027 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.841 -11.705 -6.384 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.779 -13.425 -6.053 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.377 -13.139 -4.155 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.407 -11.407 -4.422 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.285 -12.492 -5.497 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.270 -11.796 -6.666 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.241 -13.474 -6.407 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.962 -11.458 -4.470 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.596 -11.881 -4.907 1.00 0.21 C ATOM 1280 C GLY A 83 -3.316 -11.409 -6.338 1.00 0.19 C ATOM 1281 O GLY A 83 -2.268 -11.685 -6.886 1.00 0.22 O ATOM 0 H GLY A 83 -5.002 -10.568 -3.973 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.848 -11.469 -4.230 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.511 -12.966 -4.853 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.239 -10.706 -6.952 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.017 -10.222 -8.359 1.00 0.17 C ATOM 1287 C GLN A 84 -3.888 -8.698 -8.387 1.00 0.16 C ATOM 1288 O GLN A 84 -4.524 -7.993 -7.630 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.207 -10.616 -9.231 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.466 -12.118 -9.099 1.00 0.23 C ATOM 1291 CD GLN A 84 -6.735 -12.488 -9.869 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -6.771 -13.486 -10.562 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -7.786 -11.720 -9.777 1.00 2.08 N ATOM 0 H GLN A 84 -5.136 -10.445 -6.543 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.100 -10.675 -8.735 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.092 -10.056 -8.930 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.008 -10.361 -10.272 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.616 -12.680 -9.487 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.574 -12.388 -8.048 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -7.756 -10.882 -9.196 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.637 -11.957 -10.286 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.079 -8.187 -9.280 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.911 -6.709 -9.393 1.00 0.17 C ATOM 1304 C LYS A 85 -3.989 -6.160 -10.329 1.00 0.16 C ATOM 1305 O LYS A 85 -4.308 -6.765 -11.334 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.528 -6.388 -9.957 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.208 -4.916 -9.673 1.00 0.25 C ATOM 1308 CD LYS A 85 0.083 -4.511 -10.381 1.00 0.30 C ATOM 1309 CE LYS A 85 1.245 -5.390 -9.908 1.00 0.89 C ATOM 1310 NZ LYS A 85 2.531 -4.681 -10.160 1.00 1.70 N ATOM 0 H LYS A 85 -2.525 -8.734 -9.939 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.007 -6.251 -8.409 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.776 -7.032 -9.502 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.504 -6.579 -11.030 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.030 -4.286 -10.012 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.107 -4.759 -8.599 1.00 0.25 H new ATOM 0 HD2 LYS A 85 -0.040 -4.608 -11.460 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.304 -3.463 -10.178 1.00 0.30 H new ATOM 0 HE2 LYS A 85 1.140 -5.611 -8.846 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.233 -6.344 -10.435 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 3.323 -5.274 -9.840 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 2.629 -4.491 -11.178 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.540 -3.782 -9.638 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.567 -5.027 -10.002 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.644 -4.441 -10.867 1.00 0.16 C ATOM 1326 C VAL A 86 -5.329 -2.976 -11.205 1.00 0.18 C ATOM 1327 O VAL A 86 -5.971 -2.382 -12.048 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.977 -4.521 -10.120 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.396 -5.985 -9.986 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.819 -3.912 -8.724 1.00 0.17 C ATOM 0 H VAL A 86 -4.339 -4.481 -9.171 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.701 -5.004 -11.798 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.737 -3.970 -10.675 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.346 -6.044 -9.454 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.507 -6.424 -10.978 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.634 -6.532 -9.431 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.769 -3.969 -8.192 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -6.059 -4.464 -8.170 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.516 -2.869 -8.814 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.354 -2.383 -10.565 1.00 0.15 N ATOM 1341 CA GLY A 87 -4.030 -0.957 -10.880 1.00 0.18 C ATOM 1342 C GLY A 87 -2.790 -0.503 -10.102 1.00 0.10 C ATOM 1343 O GLY A 87 -2.336 -1.171 -9.195 1.00 0.08 O ATOM 0 H GLY A 87 -3.774 -2.817 -9.847 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.856 -0.845 -11.950 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.878 -0.321 -10.627 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.238 0.635 -10.454 1.00 0.10 N ATOM 1348 CA GLU A 88 -1.028 1.135 -9.737 1.00 0.10 C ATOM 1349 C GLU A 88 -0.673 2.545 -10.209 1.00 0.10 C ATOM 1350 O GLU A 88 -0.961 2.932 -11.323 1.00 0.11 O ATOM 1351 CB GLU A 88 0.157 0.198 -10.000 1.00 0.17 C ATOM 1352 CG GLU A 88 0.408 0.061 -11.509 1.00 0.25 C ATOM 1353 CD GLU A 88 -0.726 -0.740 -12.151 1.00 1.25 C ATOM 1354 OE1 GLU A 88 -0.712 -1.953 -12.030 1.00 1.94 O ATOM 1355 OE2 GLU A 88 -1.591 -0.124 -12.752 1.00 2.04 O ATOM 0 H GLU A 88 -2.575 1.236 -11.206 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.244 1.161 -8.669 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.050 0.585 -9.510 1.00 0.17 H new ATOM 0 HB3 GLU A 88 -0.044 -0.782 -9.568 1.00 0.17 H new ATOM 0 HG2 GLU A 88 0.474 1.048 -11.967 1.00 0.25 H new ATOM 0 HG3 GLU A 88 1.362 -0.436 -11.685 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.027 3.306 -9.368 1.00 0.09 N ATOM 1363 CA PHE A 89 0.372 4.683 -9.769 1.00 0.09 C ATOM 1364 C PHE A 89 1.341 5.275 -8.743 1.00 0.09 C ATOM 1365 O PHE A 89 1.113 5.223 -7.554 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.869 5.581 -9.932 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.425 6.026 -8.590 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.755 7.006 -7.823 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.631 5.472 -8.114 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.289 7.421 -6.591 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.162 5.891 -6.881 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.493 6.866 -6.119 1.00 0.11 C ATOM 0 H PHE A 89 0.241 3.033 -8.422 1.00 0.09 H new ATOM 0 HA PHE A 89 0.880 4.631 -10.732 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.608 6.457 -10.526 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.639 5.040 -10.483 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.168 7.436 -8.184 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.148 4.724 -8.697 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.774 8.168 -6.005 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.085 5.463 -6.518 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.903 7.188 -5.173 1.00 0.11 H new ATOM 1382 N SER A 90 2.429 5.840 -9.200 1.00 0.13 N ATOM 1383 CA SER A 90 3.426 6.448 -8.262 1.00 0.14 C ATOM 1384 C SER A 90 3.262 7.967 -8.267 1.00 0.14 C ATOM 1385 O SER A 90 2.269 8.495 -8.729 1.00 0.17 O ATOM 1386 CB SER A 90 4.838 6.094 -8.728 1.00 0.15 C ATOM 1387 OG SER A 90 5.224 6.979 -9.772 1.00 0.16 O ATOM 0 H SER A 90 2.673 5.908 -10.188 1.00 0.13 H new ATOM 0 HA SER A 90 3.263 6.064 -7.255 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.537 6.168 -7.895 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.869 5.063 -9.080 1.00 0.15 H new ATOM 0 HG SER A 90 5.824 7.666 -9.413 1.00 0.16 H new ATOM 1393 N GLY A 91 4.228 8.675 -7.753 1.00 0.12 N ATOM 1394 CA GLY A 91 4.134 10.164 -7.725 1.00 0.13 C ATOM 1395 C GLY A 91 3.305 10.600 -6.516 1.00 0.13 C ATOM 1396 O GLY A 91 2.225 10.095 -6.277 1.00 0.13 O ATOM 0 H GLY A 91 5.081 8.287 -7.350 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.131 10.601 -7.672 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.675 10.527 -8.644 1.00 0.13 H new ATOM 1400 N ALA A 92 3.802 11.529 -5.746 1.00 0.15 N ATOM 1401 CA ALA A 92 3.040 11.988 -4.547 1.00 0.17 C ATOM 1402 C ALA A 92 1.628 12.434 -4.952 1.00 0.15 C ATOM 1403 O ALA A 92 1.422 13.547 -5.393 1.00 0.16 O ATOM 1404 CB ALA A 92 3.778 13.167 -3.894 1.00 0.20 C ATOM 0 H ALA A 92 4.700 11.990 -5.893 1.00 0.15 H new ATOM 0 HA ALA A 92 2.962 11.162 -3.840 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.223 13.504 -3.018 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.776 12.849 -3.591 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.860 13.986 -4.609 1.00 0.20 H new ATOM 1410 N ASN A 93 0.649 11.581 -4.777 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.760 11.958 -5.117 1.00 0.13 C ATOM 1412 C ASN A 93 -1.691 11.376 -4.051 1.00 0.12 C ATOM 1413 O ASN A 93 -2.377 10.396 -4.269 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.133 11.411 -6.498 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.331 12.189 -7.045 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.265 12.475 -6.321 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.340 12.550 -8.295 1.00 1.15 N ATOM 0 H ASN A 93 0.765 10.636 -4.412 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.858 13.043 -5.141 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.286 11.501 -7.178 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.375 10.350 -6.428 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.131 13.074 -8.669 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.556 12.309 -8.901 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.698 11.975 -2.896 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.555 11.479 -1.779 1.00 0.20 C ATOM 1426 C LYS A 94 -4.041 11.622 -2.125 1.00 0.18 C ATOM 1427 O LYS A 94 -4.846 10.777 -1.786 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.239 12.286 -0.512 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.008 13.757 -0.901 1.00 0.38 C ATOM 1430 CD LYS A 94 -2.033 14.657 0.342 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.688 14.580 1.068 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.392 15.071 0.165 1.00 1.19 N ATOM 0 H LYS A 94 -1.140 12.799 -2.672 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.344 10.422 -1.614 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.062 12.209 0.199 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.354 11.883 -0.020 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.049 13.858 -1.410 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.777 14.078 -1.604 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.241 15.687 0.052 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.835 14.346 1.011 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.718 15.181 1.977 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.484 13.553 1.371 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 0.990 15.751 0.677 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 0.973 14.268 -0.150 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -0.032 15.537 -0.662 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.419 12.683 -2.778 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.857 12.868 -3.116 1.00 0.20 C ATOM 1448 C GLU A 95 -6.306 11.782 -4.099 1.00 0.17 C ATOM 1449 O GLU A 95 -7.453 11.383 -4.118 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.043 14.243 -3.762 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.973 15.330 -2.690 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.141 16.701 -3.345 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.306 16.742 -4.553 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -6.102 17.687 -2.628 1.00 1.95 O ATOM 0 H GLU A 95 -3.797 13.428 -3.092 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.456 12.797 -2.208 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.271 14.410 -4.513 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.003 14.287 -4.276 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.753 15.172 -1.945 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.018 15.279 -2.167 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.409 11.309 -4.920 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.772 10.257 -5.912 1.00 0.14 C ATOM 1463 C LYS A 96 -6.061 8.940 -5.187 1.00 0.12 C ATOM 1464 O LYS A 96 -6.884 8.159 -5.618 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.621 10.074 -6.908 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.873 8.837 -7.780 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.914 8.832 -8.987 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.522 9.624 -10.155 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.460 8.746 -10.910 1.00 2.05 N ATOM 0 H LYS A 96 -4.434 11.608 -4.947 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.667 10.561 -6.455 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.529 10.960 -7.537 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.679 9.965 -6.371 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.731 7.932 -7.190 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.906 8.832 -8.127 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.957 9.269 -8.702 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.716 7.806 -9.298 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -5.049 10.501 -9.779 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.733 9.985 -10.815 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.873 9.279 -11.702 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -4.943 7.923 -11.280 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -6.219 8.423 -10.277 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.402 8.681 -4.087 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.671 7.407 -3.357 1.00 0.11 C ATOM 1485 C LEU A 97 -7.179 7.261 -3.155 1.00 0.11 C ATOM 1486 O LEU A 97 -7.719 6.173 -3.176 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.987 7.438 -1.981 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.506 7.075 -2.113 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.820 7.350 -0.768 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.353 5.582 -2.501 1.00 0.13 C ATOM 0 H LEU A 97 -4.698 9.288 -3.667 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.282 6.570 -3.936 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.087 8.430 -1.540 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.481 6.738 -1.307 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.042 7.676 -2.896 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.762 7.097 -0.841 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.925 8.405 -0.515 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.285 6.743 0.009 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.295 5.336 -2.592 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.806 4.958 -1.731 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.851 5.401 -3.454 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.855 8.352 -2.949 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.328 8.282 -2.732 1.00 0.14 C ATOM 1504 C GLU A 98 -10.025 7.844 -4.023 1.00 0.13 C ATOM 1505 O GLU A 98 -10.742 6.863 -4.055 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.853 9.656 -2.313 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.277 9.513 -1.770 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.832 10.895 -1.423 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.364 11.862 -2.001 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.715 10.963 -0.584 1.00 2.05 O ATOM 0 H GLU A 98 -7.455 9.290 -2.921 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.537 7.557 -1.946 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.204 10.089 -1.552 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.843 10.336 -3.165 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.913 9.030 -2.511 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.278 8.876 -0.885 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.830 8.577 -5.084 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.489 8.226 -6.375 1.00 0.14 C ATOM 1519 C ALA A 99 -10.068 6.827 -6.838 1.00 0.12 C ATOM 1520 O ALA A 99 -10.859 6.089 -7.385 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.089 9.250 -7.437 1.00 0.15 C ATOM 0 H ALA A 99 -9.240 9.408 -5.113 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.569 8.234 -6.230 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.568 8.999 -8.383 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.407 10.244 -7.122 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.006 9.239 -7.564 1.00 0.15 H new ATOM 1527 N THR A 100 -8.829 6.459 -6.642 1.00 0.11 N ATOM 1528 CA THR A 100 -8.373 5.111 -7.100 1.00 0.11 C ATOM 1529 C THR A 100 -9.071 4.014 -6.292 1.00 0.10 C ATOM 1530 O THR A 100 -9.544 3.037 -6.836 1.00 0.11 O ATOM 1531 CB THR A 100 -6.857 4.997 -6.922 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.240 6.188 -7.389 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.333 3.802 -7.722 1.00 0.12 C ATOM 0 H THR A 100 -8.116 7.029 -6.187 1.00 0.11 H new ATOM 0 HA THR A 100 -8.627 4.988 -8.153 1.00 0.11 H new ATOM 0 HB THR A 100 -6.624 4.853 -5.867 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.313 6.885 -6.703 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.253 3.723 -7.593 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.809 2.888 -7.365 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.563 3.942 -8.778 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.144 4.167 -5.000 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.818 3.130 -4.165 1.00 0.11 C ATOM 1543 C ILE A 101 -11.284 3.020 -4.596 1.00 0.13 C ATOM 1544 O ILE A 101 -11.771 1.950 -4.896 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.732 3.540 -2.684 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.273 3.384 -2.197 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.658 2.645 -1.846 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -8.027 4.232 -0.940 1.00 0.18 C ATOM 0 H ILE A 101 -8.768 4.963 -4.485 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.330 2.164 -4.297 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.044 4.579 -2.573 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.067 2.336 -1.981 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.586 3.688 -2.987 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.595 2.937 -0.798 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.685 2.758 -2.193 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.351 1.604 -1.952 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.994 4.108 -0.614 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.212 5.282 -1.167 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.700 3.909 -0.146 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.989 4.117 -4.635 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.422 4.074 -5.048 1.00 0.17 C ATOM 1562 C ASN A 102 -13.530 3.537 -6.478 1.00 0.18 C ATOM 1563 O ASN A 102 -14.590 3.147 -6.926 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.007 5.486 -4.988 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.523 5.422 -5.187 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.154 4.446 -4.832 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.137 6.429 -5.746 1.00 1.03 N ATOM 0 H ASN A 102 -11.635 5.044 -4.398 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.975 3.419 -4.375 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.775 5.946 -4.027 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.555 6.111 -5.758 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.147 6.397 -5.885 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.607 7.248 -6.044 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.443 3.523 -7.199 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.481 3.023 -8.604 1.00 0.18 C ATOM 1576 C GLU A 103 -12.546 1.493 -8.623 1.00 0.19 C ATOM 1577 O GLU A 103 -13.496 0.904 -9.097 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.215 3.480 -9.337 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.424 3.362 -10.848 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.322 4.503 -11.330 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -11.982 5.646 -11.075 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -13.336 4.213 -11.944 1.00 2.01 O ATOM 0 H GLU A 103 -11.528 3.837 -6.876 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.367 3.423 -9.098 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -10.982 4.511 -9.072 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.365 2.871 -9.029 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.464 3.399 -11.363 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -11.878 2.401 -11.089 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.521 0.848 -8.135 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.487 -0.644 -8.143 1.00 0.19 C ATOM 1591 C LEU A 104 -12.085 -1.205 -6.851 1.00 0.19 C ATOM 1592 O LEU A 104 -11.817 -2.330 -6.475 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.032 -1.099 -8.273 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.355 -0.331 -9.415 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -7.901 -0.788 -9.546 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.100 -0.593 -10.732 1.00 0.35 C ATOM 0 H LEU A 104 -10.699 1.294 -7.728 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.077 -1.012 -8.982 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.500 -0.924 -7.338 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -9.991 -2.171 -8.467 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.381 0.737 -9.196 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.420 -0.242 -10.358 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.372 -0.592 -8.613 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.873 -1.856 -9.761 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.615 -0.045 -11.540 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.081 -1.660 -10.955 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.134 -0.260 -10.638 1.00 0.35 H new ATOM 1608 N VAL A 105 -12.897 -0.447 -6.168 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.503 -0.968 -4.910 1.00 0.22 C ATOM 1610 C VAL A 105 -14.423 -2.145 -5.237 1.00 0.26 C ATOM 1611 O VAL A 105 -14.931 -2.184 -6.345 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.313 0.135 -4.223 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.413 0.623 -5.167 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -14.950 -0.423 -2.949 1.00 0.27 C ATOM 1615 OXT VAL A 105 -14.606 -2.986 -4.373 1.00 1.18 O ATOM 0 H VAL A 105 -13.166 0.503 -6.423 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.708 -1.298 -4.241 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.655 0.966 -3.970 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -15.990 1.408 -4.678 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -14.962 1.017 -6.078 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.072 -0.208 -5.418 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.527 0.360 -2.458 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.609 -1.253 -3.205 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.169 -0.774 -2.275 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.653 0.696 6.386 1.00 0.00 N ATOM 1627 CA PHE B 1 22.211 1.764 5.447 1.00 0.00 C ATOM 1628 C PHE B 1 20.949 1.296 4.707 1.00 0.00 C ATOM 1629 O PHE B 1 20.878 0.171 4.252 1.00 0.00 O ATOM 1630 CB PHE B 1 23.349 2.065 4.449 1.00 0.00 C ATOM 1631 CG PHE B 1 23.324 1.077 3.300 1.00 0.00 C ATOM 1632 CD1 PHE B 1 22.514 1.337 2.181 1.00 0.00 C ATOM 1633 CD2 PHE B 1 24.095 -0.101 3.354 1.00 0.00 C ATOM 1634 CE1 PHE B 1 22.471 0.422 1.113 1.00 0.00 C ATOM 1635 CE2 PHE B 1 24.055 -1.017 2.284 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.241 -0.756 1.163 1.00 0.00 C ATOM 0 H1 PHE B 1 23.172 1.124 7.179 1.00 0.00 H new ATOM 0 H2 PHE B 1 21.822 0.188 6.750 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.274 0.029 5.885 1.00 0.00 H new ATOM 0 HA PHE B 1 21.977 2.676 5.996 1.00 0.00 H new ATOM 0 HB2 PHE B 1 23.245 3.080 4.066 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.311 2.014 4.959 1.00 0.00 H new ATOM 0 HD1 PHE B 1 21.924 2.241 2.141 1.00 0.00 H new ATOM 0 HD2 PHE B 1 24.716 -0.302 4.215 1.00 0.00 H new ATOM 0 HE1 PHE B 1 21.847 0.623 0.255 1.00 0.00 H new ATOM 0 HE2 PHE B 1 24.648 -1.919 2.323 1.00 0.00 H new ATOM 0 HZ PHE B 1 23.208 -1.459 0.344 1.00 0.00 H new ATOM 1648 N ARG B 2 19.956 2.148 4.580 1.00 0.00 N ATOM 1649 CA ARG B 2 18.694 1.756 3.867 1.00 0.00 C ATOM 1650 C ARG B 2 18.456 2.698 2.683 1.00 0.00 C ATOM 1651 O ARG B 2 17.451 3.373 2.610 1.00 0.00 O ATOM 1652 CB ARG B 2 17.509 1.851 4.838 1.00 0.00 C ATOM 1653 CG ARG B 2 17.758 0.954 6.056 1.00 0.00 C ATOM 1654 CD ARG B 2 17.973 -0.500 5.613 1.00 0.00 C ATOM 1655 NE ARG B 2 17.536 -1.411 6.702 1.00 0.00 N ATOM 1656 CZ ARG B 2 17.335 -2.669 6.447 1.00 0.00 C ATOM 1657 NH1 ARG B 2 17.548 -3.133 5.247 1.00 0.00 N ATOM 1658 NH2 ARG B 2 16.909 -3.465 7.388 1.00 0.00 N ATOM 0 H ARG B 2 19.965 3.102 4.941 1.00 0.00 H new ATOM 0 HA ARG B 2 18.789 0.733 3.502 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.372 2.884 5.158 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.590 1.549 4.335 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.632 1.307 6.604 1.00 0.00 H new ATOM 0 HG3 ARG B 2 16.910 1.012 6.738 1.00 0.00 H new ATOM 0 HD2 ARG B 2 17.408 -0.703 4.704 1.00 0.00 H new ATOM 0 HD3 ARG B 2 19.024 -0.670 5.380 1.00 0.00 H new ATOM 0 HE ARG B 2 17.394 -1.051 7.646 1.00 0.00 H new ATOM 0 HH11 ARG B 2 17.872 -2.508 4.509 1.00 0.00 H new ATOM 0 HH12 ARG B 2 17.390 -4.121 5.047 1.00 0.00 H new ATOM 0 HH21 ARG B 2 16.734 -3.100 8.324 1.00 0.00 H new ATOM 0 HH22 ARG B 2 16.751 -4.453 7.188 1.00 0.00 H new ATOM 1672 N PHE B 3 19.373 2.740 1.746 1.00 0.00 N ATOM 1673 CA PHE B 3 19.208 3.631 0.551 1.00 0.00 C ATOM 1674 C PHE B 3 18.855 2.780 -0.671 1.00 0.00 C ATOM 1675 O PHE B 3 19.205 1.620 -0.754 1.00 0.00 O ATOM 1676 CB PHE B 3 20.518 4.390 0.292 1.00 0.00 C ATOM 1677 CG PHE B 3 20.627 5.554 1.253 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.992 5.329 2.595 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.357 6.862 0.808 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.087 6.412 3.489 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.453 7.944 1.702 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.817 7.719 3.044 1.00 0.00 C ATOM 0 H PHE B 3 20.234 2.193 1.757 1.00 0.00 H new ATOM 0 HA PHE B 3 18.408 4.348 0.737 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.369 3.721 0.417 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.544 4.750 -0.736 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.199 4.326 2.938 1.00 0.00 H new ATOM 0 HD2 PHE B 3 20.076 7.035 -0.220 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.367 6.239 4.518 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.248 8.947 1.359 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.889 8.549 3.731 1.00 0.00 H new ATOM 1692 N ARG B 4 18.161 3.351 -1.620 1.00 0.00 N ATOM 1693 CA ARG B 4 17.775 2.586 -2.843 1.00 0.00 C ATOM 1694 C ARG B 4 17.742 3.550 -4.042 1.00 0.00 C ATOM 1695 O ARG B 4 18.774 3.888 -4.588 1.00 0.00 O ATOM 1696 CB ARG B 4 16.393 1.934 -2.610 1.00 0.00 C ATOM 1697 CG ARG B 4 16.561 0.463 -2.188 1.00 0.00 C ATOM 1698 CD ARG B 4 17.135 -0.373 -3.354 1.00 0.00 C ATOM 1699 NE ARG B 4 16.311 -1.601 -3.534 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.416 -2.303 -4.630 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.246 -1.931 -5.567 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.692 -3.377 -4.789 1.00 0.00 N ATOM 0 H ARG B 4 17.843 4.320 -1.601 1.00 0.00 H new ATOM 0 HA ARG B 4 18.498 1.797 -3.053 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.851 2.481 -1.839 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.797 1.992 -3.521 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.225 0.400 -1.326 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.598 0.055 -1.880 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.136 0.215 -4.272 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.170 -0.643 -3.147 1.00 0.00 H new ATOM 0 HE ARG B 4 15.665 -1.893 -2.801 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.812 -1.092 -5.443 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.328 -2.480 -6.423 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.044 -3.668 -4.057 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.774 -3.925 -5.645 1.00 0.00 H new ATOM 1716 N TYR B 5 16.572 3.997 -4.457 1.00 0.00 N ATOM 1717 CA TYR B 5 16.480 4.943 -5.620 1.00 0.00 C ATOM 1718 C TYR B 5 15.885 6.286 -5.171 1.00 0.00 C ATOM 1719 O TYR B 5 15.781 6.571 -3.994 1.00 0.00 O ATOM 1720 CB TYR B 5 15.642 4.320 -6.753 1.00 0.00 C ATOM 1721 CG TYR B 5 14.477 3.527 -6.210 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.654 2.191 -5.791 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.206 4.115 -6.157 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.553 1.454 -5.310 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.110 3.380 -5.685 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.280 2.050 -5.259 1.00 0.00 C ATOM 1727 OH TYR B 5 11.199 1.330 -4.793 1.00 0.00 O ATOM 0 H TYR B 5 15.677 3.745 -4.038 1.00 0.00 H new ATOM 0 HA TYR B 5 17.484 5.127 -6.002 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.272 5.108 -7.409 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.274 3.671 -7.359 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.631 1.734 -5.839 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.071 5.137 -6.481 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.687 0.434 -4.981 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.132 3.836 -5.648 1.00 0.00 H new ATOM 0 HH TYR B 5 11.498 0.445 -4.497 1.00 0.00 H new ATOM 1737 N VAL B 6 15.546 7.133 -6.108 1.00 0.00 N ATOM 1738 CA VAL B 6 15.017 8.487 -5.757 1.00 0.00 C ATOM 1739 C VAL B 6 13.585 8.428 -5.216 1.00 0.00 C ATOM 1740 O VAL B 6 12.782 7.609 -5.618 1.00 0.00 O ATOM 1741 CB VAL B 6 15.024 9.367 -7.014 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.995 10.842 -6.611 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.284 9.086 -7.825 1.00 0.00 C ATOM 0 H VAL B 6 15.613 6.944 -7.108 1.00 0.00 H new ATOM 0 HA VAL B 6 15.658 8.899 -4.978 1.00 0.00 H new ATOM 0 HB VAL B 6 14.145 9.141 -7.617 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.000 11.464 -7.506 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.093 11.044 -6.034 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.872 11.071 -6.005 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.289 9.711 -8.718 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.163 9.310 -7.221 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.302 8.036 -8.117 1.00 0.00 H new ATOM 1753 N CYS B 7 13.260 9.340 -4.331 1.00 0.00 N ATOM 1754 CA CYS B 7 11.877 9.413 -3.774 1.00 0.00 C ATOM 1755 C CYS B 7 11.137 10.540 -4.488 1.00 0.00 C ATOM 1756 O CYS B 7 11.243 11.692 -4.116 1.00 0.00 O ATOM 1757 CB CYS B 7 11.924 9.719 -2.271 1.00 0.00 C ATOM 1758 SG CYS B 7 13.156 8.673 -1.460 1.00 0.00 S ATOM 0 H CYS B 7 13.903 10.044 -3.969 1.00 0.00 H new ATOM 0 HA CYS B 7 11.371 8.459 -3.922 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.168 10.770 -2.114 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.943 9.549 -1.827 1.00 0.00 H new ATOM 1763 N GLU B 8 10.399 10.234 -5.521 1.00 0.00 N ATOM 1764 CA GLU B 8 9.679 11.317 -6.250 1.00 0.00 C ATOM 1765 C GLU B 8 8.367 11.641 -5.538 1.00 0.00 C ATOM 1766 O GLU B 8 7.324 11.792 -6.154 1.00 0.00 O ATOM 1767 CB GLU B 8 9.390 10.888 -7.691 1.00 0.00 C ATOM 1768 CG GLU B 8 8.887 9.438 -7.718 1.00 0.00 C ATOM 1769 CD GLU B 8 8.080 9.200 -8.999 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.691 8.920 -10.016 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.865 9.302 -8.938 1.00 0.00 O ATOM 0 H GLU B 8 10.264 9.292 -5.888 1.00 0.00 H new ATOM 0 HA GLU B 8 10.310 12.205 -6.266 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.644 11.548 -8.133 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.293 10.979 -8.294 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.730 8.749 -7.673 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.267 9.241 -6.843 1.00 0.00 H new ATOM 1778 N GLY B 9 8.417 11.788 -4.249 1.00 0.00 N ATOM 1779 CA GLY B 9 7.186 12.149 -3.503 1.00 0.00 C ATOM 1780 C GLY B 9 6.890 13.629 -3.824 1.00 0.00 C ATOM 1781 O GLY B 9 6.954 14.000 -4.980 1.00 0.00 O ATOM 0 H GLY B 9 9.256 11.674 -3.679 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.352 11.514 -3.802 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.327 12.006 -2.432 1.00 0.00 H new ATOM 1785 N PRO B 10 6.602 14.460 -2.835 1.00 0.00 N ATOM 1786 CA PRO B 10 6.351 15.888 -3.109 1.00 0.00 C ATOM 1787 C PRO B 10 7.663 16.550 -3.562 1.00 0.00 C ATOM 1788 O PRO B 10 7.864 17.737 -3.396 1.00 0.00 O ATOM 1789 CB PRO B 10 5.855 16.474 -1.765 1.00 0.00 C ATOM 1790 CG PRO B 10 5.974 15.349 -0.696 1.00 0.00 C ATOM 1791 CD PRO B 10 6.487 14.077 -1.412 1.00 0.00 C ATOM 0 HA PRO B 10 5.619 16.053 -3.900 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.453 17.340 -1.480 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.823 16.814 -1.852 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.660 15.645 0.097 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.008 15.162 -0.228 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.449 13.758 -1.010 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.795 13.245 -1.282 1.00 0.00 H new ATOM 1799 N SER B 11 8.557 15.783 -4.130 1.00 0.00 N ATOM 1800 CA SER B 11 9.856 16.345 -4.592 1.00 0.00 C ATOM 1801 C SER B 11 9.680 16.951 -5.985 1.00 0.00 C ATOM 1802 O SER B 11 10.329 17.916 -6.339 1.00 0.00 O ATOM 1803 CB SER B 11 10.897 15.222 -4.648 1.00 0.00 C ATOM 1804 OG SER B 11 12.195 15.790 -4.757 1.00 0.00 O ATOM 0 H SER B 11 8.439 14.783 -4.294 1.00 0.00 H new ATOM 0 HA SER B 11 10.190 17.119 -3.901 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.832 14.605 -3.752 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.700 14.570 -5.499 1.00 0.00 H new ATOM 0 HG SER B 11 12.863 15.074 -4.792 1.00 0.00 H new ATOM 1810 N HIS B 12 8.803 16.393 -6.780 1.00 0.00 N ATOM 1811 CA HIS B 12 8.575 16.929 -8.158 1.00 0.00 C ATOM 1812 C HIS B 12 7.332 17.824 -8.156 1.00 0.00 C ATOM 1813 O HIS B 12 6.866 18.253 -7.120 1.00 0.00 O ATOM 1814 CB HIS B 12 8.363 15.756 -9.124 1.00 0.00 C ATOM 1815 CG HIS B 12 8.571 16.218 -10.542 1.00 0.00 C ATOM 1816 ND1 HIS B 12 8.893 17.530 -10.855 1.00 0.00 N ATOM 1817 CD2 HIS B 12 8.507 15.552 -11.741 1.00 0.00 C ATOM 1818 CE1 HIS B 12 9.010 17.611 -12.192 1.00 0.00 C ATOM 1819 NE2 HIS B 12 8.785 16.434 -12.782 1.00 0.00 N ATOM 0 H HIS B 12 8.232 15.585 -6.533 1.00 0.00 H new ATOM 0 HA HIS B 12 9.439 17.513 -8.475 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.058 14.950 -8.889 1.00 0.00 H new ATOM 0 HB3 HIS B 12 7.357 15.354 -9.007 1.00 0.00 H new ATOM 0 HD2 HIS B 12 8.276 14.504 -11.859 1.00 0.00 H new ATOM 0 HE1 HIS B 12 9.256 18.518 -12.724 1.00 0.00 H new ATOM 0 HE2 HIS B 12 8.811 16.226 -13.780 1.00 0.00 H new ATOM 1827 N GLY B 13 6.790 18.108 -9.310 1.00 0.00 N ATOM 1828 CA GLY B 13 5.579 18.973 -9.373 1.00 0.00 C ATOM 1829 C GLY B 13 5.020 18.972 -10.796 1.00 0.00 C ATOM 1830 O GLY B 13 4.805 20.049 -11.327 1.00 0.00 O ATOM 1831 OXT GLY B 13 4.818 17.895 -11.332 1.00 0.00 O ATOM 0 H GLY B 13 7.134 17.778 -10.211 1.00 0.00 H new ATOM 0 HA2 GLY B 13 4.824 18.610 -8.675 1.00 0.00 H new ATOM 0 HA3 GLY B 13 5.830 19.990 -9.071 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -6.847 -9.927 -1.389 1.00 0.24 O HETATM 1839 O HOH A 107 8.953 -3.302 5.360 1.00 0.40 O HETATM 1842 O HOH A 108 12.878 1.756 2.146 1.00 0.32 O HETATM 1845 O HOH A 109 -8.914 -8.664 -0.091 1.00 0.26 O HETATM 1848 O HOH A 110 -7.467 -12.875 0.766 1.00 0.21 O HETATM 1851 O HOH A 111 -12.069 -2.771 0.258 1.00 0.37 O