USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 GLN :FLIP amide:sc= 0.0684 F(o=-0.4,f=0.85) USER MOD Set 1.2: B 58 THR OG1 : rot -25:sc= 0.78 USER MOD Set 2.1: B 7 TYR OH : rot 59:sc= 0.45 USER MOD Set 2.2: B 28 SER OG : rot -164:sc= -0.0375 USER MOD Set 2.3: B 29 SER OG : rot 103:sc= 0.136 USER MOD Set 3.1: A 58 THR OG1 : rot -31:sc= 0.967 USER MOD Set 3.2: A 61 THR OG1 : rot -170:sc= -0.863 USER MOD Set 3.3: B 8 GLN :FLIP amide:sc= 0.0916 F(o=-1.6!,f=0.2) USER MOD Set 4.1: A 28 SER OG : rot 75:sc= 0.101 USER MOD Set 4.2: A 29 SER OG : rot 180:sc= 0.101 USER MOD Set 5.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 22 ASN : amide:sc= 0 X(o=0,f=0.033) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0481 (180deg=-0.386) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0451 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= -0.0611 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -177:sc= 0.561 (180deg=0.554) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 0.614 (180deg=0.462) USER MOD Single : A 25 THR OG1 : rot 73:sc= 0.348 USER MOD Single : A 26 MET CE :methyl -148:sc= -5.76! (180deg=-7.57!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= -1.19 (180deg=-1.29) USER MOD Single : A 37 SER OG : rot -150:sc=0.000296 USER MOD Single : A 40 HIS : no HE2:sc= -0.106 K(o=-0.11,f=-0.95) USER MOD Single : A 44 SER OG : rot -127:sc= -0.362 USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 0.347 (180deg=0.332) USER MOD Single : A 48 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.68) USER MOD Single : A 49 SER OG : rot 87:sc= -0.0427 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0435 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 160:sc= -0.241 (180deg=-0.94) USER MOD Single : B 1 MET N :NH3+ 143:sc= 0.0439 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= -0.159 USER MOD Single : B 3 LYS NZ :NH3+ 168:sc= -0.0335 (180deg=-0.234) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ -146:sc= 1.22 (180deg=0.157) USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 THR OG1 : rot 160:sc= -0.135 USER MOD Single : B 26 MET CE :methyl -150:sc= -6.02! (180deg=-7.7!) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -176:sc= -0.782 (180deg=-0.857) USER MOD Single : B 37 SER OG : rot -160:sc= 0 USER MOD Single : B 40 HIS : no HE2:sc= 0.0647 K(o=0.065,f=-0.94) USER MOD Single : B 44 SER OG : rot -120:sc= -0.328 USER MOD Single : B 46 LYS NZ :NH3+ -174:sc= 0.835 (180deg=0.567) USER MOD Single : B 48 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.53) USER MOD Single : B 49 SER OG : rot 87:sc=-0.00208 USER MOD Single : B 54 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0.0642 USER MOD Single : B 60 MET CE :methyl -157:sc= -0.698 (180deg=-1.77!) USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.00379 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.775 7.800 11.076 1.00 0.00 N ATOM 2 CA MET A 1 -11.026 8.176 9.855 1.00 0.00 C ATOM 3 C MET A 1 -10.211 6.978 9.353 1.00 0.00 C ATOM 4 O MET A 1 -9.773 6.140 10.143 1.00 0.00 O ATOM 5 CB MET A 1 -10.091 9.387 10.127 1.00 0.00 C ATOM 6 CG MET A 1 -9.357 9.929 8.887 1.00 0.00 C ATOM 7 SD MET A 1 -8.292 11.342 9.258 1.00 0.00 S ATOM 8 CE MET A 1 -9.486 12.580 9.772 1.00 0.00 C ATOM 0 H1 MET A 1 -11.793 8.605 11.734 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.749 7.540 10.820 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.309 6.990 11.533 1.00 0.00 H new ATOM 0 HA MET A 1 -11.743 8.468 9.087 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.681 10.193 10.563 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.350 9.096 10.872 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.755 9.132 8.451 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.091 10.222 8.136 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.019 13.565 9.756 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.336 12.570 9.090 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.829 12.358 10.783 1.00 0.00 H new ATOM 18 N TYR A 2 -10.028 6.907 8.027 1.00 0.00 N ATOM 19 CA TYR A 2 -9.195 5.882 7.386 1.00 0.00 C ATOM 20 C TYR A 2 -7.715 6.082 7.748 1.00 0.00 C ATOM 21 O TYR A 2 -7.262 7.211 7.985 1.00 0.00 O ATOM 22 CB TYR A 2 -9.427 5.851 5.855 1.00 0.00 C ATOM 23 CG TYR A 2 -9.661 7.216 5.189 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.602 8.005 4.747 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.959 7.709 5.005 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.824 9.226 4.142 1.00 0.00 C ATOM 27 CE2 TYR A 2 -11.185 8.928 4.405 1.00 0.00 C ATOM 28 CZ TYR A 2 -10.114 9.684 3.974 1.00 0.00 C ATOM 29 OH TYR A 2 -10.338 10.906 3.374 1.00 0.00 O ATOM 0 H TYR A 2 -10.454 7.560 7.369 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.492 4.905 7.768 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.563 5.381 5.385 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.288 5.215 5.649 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.589 7.655 4.880 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.800 7.121 5.341 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.990 9.821 3.801 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -12.194 9.290 4.273 1.00 0.00 H new ATOM 0 HH TYR A 2 -11.302 11.078 3.332 1.00 0.00 H new ATOM 39 N LYS A 3 -6.972 4.969 7.751 1.00 0.00 N ATOM 40 CA LYS A 3 -5.675 4.869 8.429 1.00 0.00 C ATOM 41 C LYS A 3 -4.873 3.660 7.926 1.00 0.00 C ATOM 42 O LYS A 3 -5.362 2.860 7.116 1.00 0.00 O ATOM 43 CB LYS A 3 -5.861 4.850 9.995 1.00 0.00 C ATOM 44 CG LYS A 3 -7.064 4.050 10.559 1.00 0.00 C ATOM 45 CD LYS A 3 -6.971 2.530 10.309 1.00 0.00 C ATOM 46 CE LYS A 3 -8.080 1.746 11.023 1.00 0.00 C ATOM 47 NZ LYS A 3 -9.417 2.024 10.473 1.00 0.00 N ATOM 0 H LYS A 3 -7.255 4.109 7.281 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.093 5.757 8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.950 4.447 10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.952 5.881 10.336 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.137 4.229 11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.983 4.428 10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.027 2.338 9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.000 2.169 10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.874 0.679 10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.069 1.994 12.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.128 1.469 10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.629 3.037 10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.440 1.762 9.467 1.00 0.00 H new ATOM 61 N PHE A 4 -3.644 3.543 8.444 1.00 0.00 N ATOM 62 CA PHE A 4 -2.698 2.486 8.082 1.00 0.00 C ATOM 63 C PHE A 4 -2.656 1.432 9.188 1.00 0.00 C ATOM 64 O PHE A 4 -2.205 1.701 10.302 1.00 0.00 O ATOM 65 CB PHE A 4 -1.295 3.082 7.829 1.00 0.00 C ATOM 66 CG PHE A 4 -1.213 3.922 6.556 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.644 5.251 6.539 1.00 0.00 C ATOM 68 CD2 PHE A 4 -0.705 3.375 5.376 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.567 5.999 5.386 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.630 4.126 4.225 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.060 5.436 4.230 1.00 0.00 C ATOM 0 H PHE A 4 -3.275 4.193 9.138 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.029 2.008 7.160 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.012 3.699 8.682 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.570 2.271 7.767 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.041 5.696 7.439 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.367 2.349 5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.903 7.026 5.385 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.235 3.690 3.319 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.000 6.025 3.327 1.00 0.00 H new ATOM 81 N GLU A 5 -3.123 0.232 8.855 1.00 0.00 N ATOM 82 CA GLU A 5 -3.170 -0.896 9.789 1.00 0.00 C ATOM 83 C GLU A 5 -1.918 -1.754 9.589 1.00 0.00 C ATOM 84 O GLU A 5 -1.799 -2.440 8.562 1.00 0.00 O ATOM 85 CB GLU A 5 -4.456 -1.736 9.580 1.00 0.00 C ATOM 86 CG GLU A 5 -5.762 -1.063 10.047 1.00 0.00 C ATOM 87 CD GLU A 5 -7.046 -1.859 9.735 1.00 0.00 C ATOM 88 OE1 GLU A 5 -6.983 -2.956 9.133 1.00 0.00 O ATOM 89 OE2 GLU A 5 -8.149 -1.371 10.064 1.00 0.00 O ATOM 0 H GLU A 5 -3.482 0.011 7.926 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.193 -0.519 10.812 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.547 -1.974 8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.343 -2.682 10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.705 -0.899 11.123 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.837 -0.082 9.578 1.00 0.00 H new ATOM 96 N ILE A 6 -1.002 -1.715 10.577 1.00 0.00 N ATOM 97 CA ILE A 6 0.295 -2.401 10.518 1.00 0.00 C ATOM 98 C ILE A 6 0.182 -3.697 11.285 1.00 0.00 C ATOM 99 O ILE A 6 -0.045 -3.685 12.490 1.00 0.00 O ATOM 100 CB ILE A 6 1.448 -1.566 11.171 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.429 -0.106 10.647 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.839 -2.244 10.929 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.269 0.842 11.467 1.00 0.00 C ATOM 0 H ILE A 6 -1.148 -1.200 11.445 1.00 0.00 H new ATOM 0 HA ILE A 6 0.537 -2.556 9.467 1.00 0.00 H new ATOM 0 HB ILE A 6 1.283 -1.537 12.248 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.784 -0.094 9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.400 0.253 10.634 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.622 -1.644 11.393 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.839 -3.242 11.368 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.026 -2.319 9.858 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.208 1.844 11.042 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.901 0.860 12.493 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.307 0.508 11.460 1.00 0.00 H new ATOM 115 N TYR A 7 0.357 -4.799 10.608 1.00 0.00 N ATOM 116 CA TYR A 7 0.314 -6.103 11.239 1.00 0.00 C ATOM 117 C TYR A 7 1.464 -6.957 10.720 1.00 0.00 C ATOM 118 O TYR A 7 2.302 -6.504 9.932 1.00 0.00 O ATOM 119 CB TYR A 7 -1.077 -6.764 11.024 1.00 0.00 C ATOM 120 CG TYR A 7 -1.451 -7.027 9.554 1.00 0.00 C ATOM 121 CD1 TYR A 7 -1.976 -6.013 8.745 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.279 -8.290 8.977 1.00 0.00 C ATOM 123 CE1 TYR A 7 -2.309 -6.249 7.427 1.00 0.00 C ATOM 124 CE2 TYR A 7 -1.612 -8.526 7.662 1.00 0.00 C ATOM 125 CZ TYR A 7 -2.124 -7.508 6.892 1.00 0.00 C ATOM 126 OH TYR A 7 -2.459 -7.756 5.582 1.00 0.00 O ATOM 0 H TYR A 7 0.534 -4.825 9.604 1.00 0.00 H new ATOM 0 HA TYR A 7 0.444 -6.002 12.317 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.100 -7.710 11.564 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.839 -6.124 11.469 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.123 -5.027 9.160 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.877 -9.095 9.574 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.712 -5.454 6.818 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.471 -9.508 7.236 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.264 -8.692 5.366 1.00 0.00 H new ATOM 136 N GLN A 8 1.535 -8.167 11.236 1.00 0.00 N ATOM 137 CA GLN A 8 2.360 -9.223 10.655 1.00 0.00 C ATOM 138 C GLN A 8 1.441 -10.407 10.359 1.00 0.00 C ATOM 139 O GLN A 8 0.451 -10.636 11.068 1.00 0.00 O ATOM 140 CB GLN A 8 3.556 -9.610 11.578 1.00 0.00 C ATOM 141 CG GLN A 8 3.268 -10.642 12.683 1.00 0.00 C ATOM 142 CD GLN A 8 4.367 -10.693 13.746 1.00 0.00 C ATOM 143 OE1 GLN A 8 5.429 -11.434 13.475 1.00 0.00 O flip ATOM 144 NE2 GLN A 8 4.287 -10.024 14.776 1.00 0.00 N flip ATOM 0 H GLN A 8 1.024 -8.453 12.071 1.00 0.00 H new ATOM 0 HA GLN A 8 2.823 -8.875 9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.359 -9.998 10.951 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.930 -8.701 12.050 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.318 -10.401 13.160 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.158 -11.629 12.233 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.455 -9.463 14.956 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.053 -10.031 15.449 1.00 0.00 H new ATOM 153 N ASP A 9 1.766 -11.126 9.303 1.00 0.00 N ATOM 154 CA ASP A 9 1.010 -12.279 8.823 1.00 0.00 C ATOM 155 C ASP A 9 1.415 -13.496 9.657 1.00 0.00 C ATOM 156 O ASP A 9 2.478 -13.450 10.284 1.00 0.00 O ATOM 157 CB ASP A 9 1.329 -12.471 7.321 1.00 0.00 C ATOM 158 CG ASP A 9 0.603 -13.653 6.665 1.00 0.00 C ATOM 159 OD1 ASP A 9 -0.640 -13.610 6.556 1.00 0.00 O ATOM 160 OD2 ASP A 9 1.272 -14.630 6.255 1.00 0.00 O ATOM 0 H ASP A 9 2.588 -10.922 8.734 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.066 -12.138 8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.067 -11.558 6.787 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.404 -12.611 7.205 1.00 0.00 H new ATOM 165 N LYS A 10 0.577 -14.566 9.640 1.00 0.00 N ATOM 166 CA LYS A 10 0.805 -15.824 10.410 1.00 0.00 C ATOM 167 C LYS A 10 2.221 -16.401 10.160 1.00 0.00 C ATOM 168 O LYS A 10 2.865 -16.929 11.067 1.00 0.00 O ATOM 169 CB LYS A 10 -0.300 -16.901 10.133 1.00 0.00 C ATOM 170 CG LYS A 10 -0.175 -17.742 8.830 1.00 0.00 C ATOM 171 CD LYS A 10 -0.600 -16.994 7.547 1.00 0.00 C ATOM 172 CE LYS A 10 -2.105 -16.674 7.483 1.00 0.00 C ATOM 173 NZ LYS A 10 -2.467 -15.963 6.227 1.00 0.00 N ATOM 0 H LYS A 10 -0.281 -14.583 9.089 1.00 0.00 H new ATOM 0 HA LYS A 10 0.735 -15.557 11.464 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.317 -17.590 10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.265 -16.395 10.115 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.859 -18.069 8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.784 -18.640 8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.037 -16.063 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.329 -17.596 6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.676 -17.599 7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.383 -16.061 8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.478 -15.720 6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.903 -15.093 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.273 -16.578 5.411 1.00 0.00 H new ATOM 187 N ALA A 11 2.696 -16.224 8.910 1.00 0.00 N ATOM 188 CA ALA A 11 4.066 -16.582 8.474 1.00 0.00 C ATOM 189 C ALA A 11 5.179 -15.714 9.151 1.00 0.00 C ATOM 190 O ALA A 11 6.357 -15.851 8.811 1.00 0.00 O ATOM 191 CB ALA A 11 4.144 -16.472 6.939 1.00 0.00 C ATOM 0 H ALA A 11 2.131 -15.822 8.162 1.00 0.00 H new ATOM 0 HA ALA A 11 4.259 -17.607 8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.148 -16.733 6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.423 -17.154 6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.915 -15.450 6.635 1.00 0.00 H new ATOM 197 N GLY A 12 4.791 -14.850 10.114 1.00 0.00 N ATOM 198 CA GLY A 12 5.691 -13.916 10.798 1.00 0.00 C ATOM 199 C GLY A 12 6.197 -12.814 9.880 1.00 0.00 C ATOM 200 O GLY A 12 7.280 -12.272 10.096 1.00 0.00 O ATOM 0 H GLY A 12 3.826 -14.787 10.438 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.170 -13.468 11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.541 -14.466 11.202 1.00 0.00 H new ATOM 204 N GLU A 13 5.391 -12.463 8.865 1.00 0.00 N ATOM 205 CA GLU A 13 5.815 -11.548 7.773 1.00 0.00 C ATOM 206 C GLU A 13 5.090 -10.204 7.878 1.00 0.00 C ATOM 207 O GLU A 13 3.888 -10.147 7.682 1.00 0.00 O ATOM 208 CB GLU A 13 5.539 -12.206 6.394 1.00 0.00 C ATOM 209 CG GLU A 13 6.463 -13.390 6.063 1.00 0.00 C ATOM 210 CD GLU A 13 7.945 -12.986 5.990 1.00 0.00 C ATOM 211 OE1 GLU A 13 8.378 -12.481 4.931 1.00 0.00 O ATOM 212 OE2 GLU A 13 8.679 -13.154 6.991 1.00 0.00 O ATOM 0 H GLU A 13 4.432 -12.798 8.771 1.00 0.00 H new ATOM 0 HA GLU A 13 6.885 -11.364 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.505 -12.549 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.643 -11.450 5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.339 -14.165 6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.162 -13.825 5.110 1.00 0.00 H new ATOM 219 N TYR A 14 5.826 -9.142 8.255 1.00 0.00 N ATOM 220 CA TYR A 14 5.259 -7.785 8.396 1.00 0.00 C ATOM 221 C TYR A 14 4.642 -7.260 7.089 1.00 0.00 C ATOM 222 O TYR A 14 5.317 -7.161 6.066 1.00 0.00 O ATOM 223 CB TYR A 14 6.313 -6.797 8.963 1.00 0.00 C ATOM 224 CG TYR A 14 6.753 -7.164 10.386 1.00 0.00 C ATOM 225 CD1 TYR A 14 5.922 -6.902 11.478 1.00 0.00 C ATOM 226 CD2 TYR A 14 7.964 -7.812 10.634 1.00 0.00 C ATOM 227 CE1 TYR A 14 6.290 -7.264 12.757 1.00 0.00 C ATOM 228 CE2 TYR A 14 8.327 -8.180 11.910 1.00 0.00 C ATOM 229 CZ TYR A 14 7.489 -7.907 12.965 1.00 0.00 C ATOM 230 OH TYR A 14 7.847 -8.290 14.237 1.00 0.00 O ATOM 0 H TYR A 14 6.822 -9.197 8.469 1.00 0.00 H new ATOM 0 HA TYR A 14 4.441 -7.859 9.113 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.184 -6.784 8.308 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.899 -5.789 8.962 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.975 -6.408 11.318 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.628 -8.029 9.810 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.640 -7.044 13.591 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.268 -8.682 12.082 1.00 0.00 H new ATOM 0 HH TYR A 14 8.721 -8.732 14.212 1.00 0.00 H new ATOM 240 N ARG A 15 3.332 -6.977 7.167 1.00 0.00 N ATOM 241 CA ARG A 15 2.528 -6.381 6.082 1.00 0.00 C ATOM 242 C ARG A 15 1.635 -5.313 6.698 1.00 0.00 C ATOM 243 O ARG A 15 1.022 -5.551 7.732 1.00 0.00 O ATOM 244 CB ARG A 15 1.630 -7.429 5.301 1.00 0.00 C ATOM 245 CG ARG A 15 1.627 -8.891 5.835 1.00 0.00 C ATOM 246 CD ARG A 15 2.334 -9.875 4.887 1.00 0.00 C ATOM 247 NE ARG A 15 3.749 -9.525 4.671 1.00 0.00 N ATOM 248 CZ ARG A 15 4.498 -9.921 3.638 1.00 0.00 C ATOM 249 NH1 ARG A 15 4.036 -10.794 2.752 1.00 0.00 N ATOM 250 NH2 ARG A 15 5.727 -9.464 3.520 1.00 0.00 N ATOM 0 H ARG A 15 2.786 -7.161 8.009 1.00 0.00 H new ATOM 0 HA ARG A 15 3.219 -5.969 5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.603 -7.065 5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.958 -7.448 4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.116 -8.918 6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.597 -9.215 5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.270 -10.882 5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.815 -9.889 3.929 1.00 0.00 H new ATOM 0 HE ARG A 15 4.194 -8.930 5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.095 -11.174 2.853 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.622 -11.085 1.969 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.098 -8.814 4.213 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.308 -9.760 2.735 1.00 0.00 H new ATOM 264 N PHE A 16 1.529 -4.156 6.049 1.00 0.00 N ATOM 265 CA PHE A 16 0.518 -3.156 6.413 1.00 0.00 C ATOM 266 C PHE A 16 -0.367 -2.854 5.210 1.00 0.00 C ATOM 267 O PHE A 16 -0.154 -3.391 4.104 1.00 0.00 O ATOM 268 CB PHE A 16 1.145 -1.875 7.033 1.00 0.00 C ATOM 269 CG PHE A 16 2.059 -1.049 6.136 1.00 0.00 C ATOM 270 CD1 PHE A 16 3.411 -1.350 6.027 1.00 0.00 C ATOM 271 CD2 PHE A 16 1.571 0.053 5.434 1.00 0.00 C ATOM 272 CE1 PHE A 16 4.251 -0.582 5.245 1.00 0.00 C ATOM 273 CE2 PHE A 16 2.409 0.813 4.656 1.00 0.00 C ATOM 274 CZ PHE A 16 3.752 0.497 4.562 1.00 0.00 C ATOM 0 H PHE A 16 2.128 -3.884 5.269 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.111 -3.575 7.199 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.334 -1.232 7.374 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.712 -2.169 7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.811 -2.198 6.562 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.524 0.311 5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.299 -0.831 5.172 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.017 1.662 4.115 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.407 1.100 3.951 1.00 0.00 H new ATOM 284 N ARG A 17 -1.405 -2.058 5.479 1.00 0.00 N ATOM 285 CA ARG A 17 -2.424 -1.674 4.492 1.00 0.00 C ATOM 286 C ARG A 17 -2.888 -0.229 4.732 1.00 0.00 C ATOM 287 O ARG A 17 -2.569 0.363 5.767 1.00 0.00 O ATOM 288 CB ARG A 17 -3.626 -2.657 4.637 1.00 0.00 C ATOM 289 CG ARG A 17 -4.362 -2.537 6.000 1.00 0.00 C ATOM 290 CD ARG A 17 -4.993 -3.844 6.512 1.00 0.00 C ATOM 291 NE ARG A 17 -6.198 -4.277 5.773 1.00 0.00 N ATOM 292 CZ ARG A 17 -6.959 -5.339 6.116 1.00 0.00 C ATOM 293 NH1 ARG A 17 -6.676 -6.059 7.199 1.00 0.00 N ATOM 294 NH2 ARG A 17 -8.006 -5.669 5.383 1.00 0.00 N ATOM 0 H ARG A 17 -1.566 -1.655 6.402 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.009 -1.727 3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.337 -2.471 3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.266 -3.679 4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.656 -2.174 6.747 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.145 -1.784 5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.247 -4.637 6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.253 -3.719 7.563 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.472 -3.739 4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.876 -5.811 7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.259 -6.859 7.447 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.242 -5.122 4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.579 -6.471 5.644 1.00 0.00 H new ATOM 308 N PHE A 18 -3.653 0.310 3.772 1.00 0.00 N ATOM 309 CA PHE A 18 -4.380 1.583 3.933 1.00 0.00 C ATOM 310 C PHE A 18 -5.860 1.299 3.698 1.00 0.00 C ATOM 311 O PHE A 18 -6.233 0.581 2.753 1.00 0.00 O ATOM 312 CB PHE A 18 -3.867 2.687 2.974 1.00 0.00 C ATOM 313 CG PHE A 18 -4.579 4.040 3.073 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.859 4.625 4.311 1.00 0.00 C ATOM 315 CD2 PHE A 18 -4.938 4.741 1.924 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.483 5.851 4.386 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.557 5.967 2.000 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.830 6.522 3.233 1.00 0.00 C ATOM 0 H PHE A 18 -3.787 -0.124 2.859 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.213 1.967 4.939 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.805 2.842 3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.958 2.324 1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.583 4.110 5.219 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.726 4.314 0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.701 6.287 5.350 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.828 6.494 1.097 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.317 7.484 3.295 1.00 0.00 H new ATOM 328 N LYS A 19 -6.681 1.842 4.588 1.00 0.00 N ATOM 329 CA LYS A 19 -8.110 1.569 4.652 1.00 0.00 C ATOM 330 C LYS A 19 -8.938 2.690 3.997 1.00 0.00 C ATOM 331 O LYS A 19 -8.395 3.667 3.471 1.00 0.00 O ATOM 332 CB LYS A 19 -8.500 1.373 6.145 1.00 0.00 C ATOM 333 CG LYS A 19 -7.718 0.224 6.827 1.00 0.00 C ATOM 334 CD LYS A 19 -7.981 -1.141 6.135 1.00 0.00 C ATOM 335 CE LYS A 19 -9.399 -1.678 6.386 1.00 0.00 C ATOM 336 NZ LYS A 19 -9.558 -2.213 7.757 1.00 0.00 N ATOM 0 H LYS A 19 -6.364 2.499 5.301 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.331 0.662 4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.319 2.301 6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.568 1.168 6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.651 0.445 6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.006 0.161 7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.824 -1.034 5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.254 -1.870 6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.123 -0.879 6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.622 -2.463 5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.563 -2.407 7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.013 -3.094 7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.210 -1.515 8.445 1.00 0.00 H new ATOM 350 N ALA A 20 -10.267 2.505 4.037 1.00 0.00 N ATOM 351 CA ALA A 20 -11.267 3.516 3.639 1.00 0.00 C ATOM 352 C ALA A 20 -12.250 3.688 4.805 1.00 0.00 C ATOM 353 O ALA A 20 -12.181 2.921 5.778 1.00 0.00 O ATOM 354 CB ALA A 20 -11.977 3.114 2.341 1.00 0.00 C ATOM 0 H ALA A 20 -10.688 1.631 4.353 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.780 4.469 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.707 3.878 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.244 3.017 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.486 2.161 2.485 1.00 0.00 H new ATOM 360 N SER A 21 -13.234 4.598 4.685 1.00 0.00 N ATOM 361 CA SER A 21 -13.953 5.129 5.862 1.00 0.00 C ATOM 362 C SER A 21 -14.900 4.056 6.467 1.00 0.00 C ATOM 363 O SER A 21 -15.184 4.083 7.664 1.00 0.00 O ATOM 364 CB SER A 21 -14.773 6.370 5.429 1.00 0.00 C ATOM 365 OG SER A 21 -15.632 6.072 4.331 1.00 0.00 O ATOM 0 H SER A 21 -13.549 4.980 3.793 1.00 0.00 H new ATOM 0 HA SER A 21 -13.227 5.406 6.626 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.367 6.727 6.271 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.095 7.177 5.153 1.00 0.00 H new ATOM 0 HG SER A 21 -16.137 6.875 4.083 1.00 0.00 H new ATOM 371 N ASN A 22 -15.372 3.104 5.624 1.00 0.00 N ATOM 372 CA ASN A 22 -16.339 2.060 6.055 1.00 0.00 C ATOM 373 C ASN A 22 -15.645 0.702 6.285 1.00 0.00 C ATOM 374 O ASN A 22 -16.319 -0.301 6.558 1.00 0.00 O ATOM 375 CB ASN A 22 -17.488 1.911 5.019 1.00 0.00 C ATOM 376 CG ASN A 22 -18.135 3.239 4.625 1.00 0.00 C ATOM 377 OD1 ASN A 22 -19.071 3.709 5.270 1.00 0.00 O ATOM 378 ND2 ASN A 22 -17.639 3.853 3.557 1.00 0.00 N ATOM 0 H ASN A 22 -15.100 3.037 4.643 1.00 0.00 H new ATOM 0 HA ASN A 22 -16.764 2.383 7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.098 1.427 4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -18.253 1.252 5.430 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.035 4.741 3.250 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.862 3.436 3.044 1.00 0.00 H new ATOM 385 N GLY A 23 -14.297 0.680 6.228 1.00 0.00 N ATOM 386 CA GLY A 23 -13.516 -0.535 6.515 1.00 0.00 C ATOM 387 C GLY A 23 -13.008 -1.277 5.284 1.00 0.00 C ATOM 388 O GLY A 23 -12.635 -2.452 5.382 1.00 0.00 O ATOM 0 H GLY A 23 -13.729 1.492 5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.662 -0.262 7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.132 -1.215 7.103 1.00 0.00 H new ATOM 392 N GLU A 24 -12.984 -0.599 4.131 1.00 0.00 N ATOM 393 CA GLU A 24 -12.440 -1.169 2.873 1.00 0.00 C ATOM 394 C GLU A 24 -10.909 -1.102 2.898 1.00 0.00 C ATOM 395 O GLU A 24 -10.351 -0.277 3.606 1.00 0.00 O ATOM 396 CB GLU A 24 -12.952 -0.392 1.625 1.00 0.00 C ATOM 397 CG GLU A 24 -14.470 -0.410 1.378 1.00 0.00 C ATOM 398 CD GLU A 24 -15.304 0.241 2.484 1.00 0.00 C ATOM 399 OE1 GLU A 24 -14.968 1.377 2.905 1.00 0.00 O ATOM 400 OE2 GLU A 24 -16.290 -0.372 2.938 1.00 0.00 O ATOM 0 H GLU A 24 -13.336 0.353 4.034 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.779 -2.203 2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.634 0.647 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.458 -0.800 0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.678 0.099 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.793 -1.444 1.259 1.00 0.00 H new ATOM 407 N THR A 25 -10.240 -1.971 2.131 1.00 0.00 N ATOM 408 CA THR A 25 -8.783 -1.902 1.912 1.00 0.00 C ATOM 409 C THR A 25 -8.521 -1.761 0.407 1.00 0.00 C ATOM 410 O THR A 25 -9.140 -2.451 -0.413 1.00 0.00 O ATOM 411 CB THR A 25 -8.050 -3.161 2.474 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.424 -3.358 3.840 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.517 -3.056 2.368 1.00 0.00 C ATOM 0 H THR A 25 -10.691 -2.745 1.642 1.00 0.00 H new ATOM 0 HA THR A 25 -8.389 -1.039 2.448 1.00 0.00 H new ATOM 0 HB THR A 25 -8.355 -4.012 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.344 -3.692 3.882 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.062 -3.959 2.774 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.231 -2.944 1.322 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.172 -2.190 2.933 1.00 0.00 H new ATOM 421 N MET A 26 -7.610 -0.851 0.067 1.00 0.00 N ATOM 422 CA MET A 26 -7.288 -0.502 -1.327 1.00 0.00 C ATOM 423 C MET A 26 -5.856 -0.924 -1.712 1.00 0.00 C ATOM 424 O MET A 26 -5.554 -1.015 -2.903 1.00 0.00 O ATOM 425 CB MET A 26 -7.605 1.003 -1.584 1.00 0.00 C ATOM 426 CG MET A 26 -7.280 1.945 -0.420 1.00 0.00 C ATOM 427 SD MET A 26 -5.534 1.965 0.003 1.00 0.00 S ATOM 428 CE MET A 26 -4.867 2.633 -1.507 1.00 0.00 C ATOM 0 H MET A 26 -7.066 -0.327 0.753 1.00 0.00 H new ATOM 0 HA MET A 26 -7.927 -1.075 -1.998 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.048 1.330 -2.462 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.664 1.099 -1.824 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.597 2.955 -0.679 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.856 1.644 0.455 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.873 2.219 -1.680 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.519 2.371 -2.340 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.799 3.718 -1.426 1.00 0.00 H new ATOM 438 N PHE A 27 -4.983 -1.180 -0.709 1.00 0.00 N ATOM 439 CA PHE A 27 -3.729 -1.945 -0.922 1.00 0.00 C ATOM 440 C PHE A 27 -3.109 -2.428 0.394 1.00 0.00 C ATOM 441 O PHE A 27 -3.477 -1.961 1.476 1.00 0.00 O ATOM 442 CB PHE A 27 -2.681 -1.191 -1.793 1.00 0.00 C ATOM 443 CG PHE A 27 -2.074 0.118 -1.284 1.00 0.00 C ATOM 444 CD1 PHE A 27 -2.468 0.746 -0.108 1.00 0.00 C ATOM 445 CD2 PHE A 27 -1.124 0.757 -2.071 1.00 0.00 C ATOM 446 CE1 PHE A 27 -1.934 1.964 0.248 1.00 0.00 C ATOM 447 CE2 PHE A 27 -0.591 1.963 -1.705 1.00 0.00 C ATOM 448 CZ PHE A 27 -1.010 2.571 -0.551 1.00 0.00 C ATOM 0 H PHE A 27 -5.122 -0.870 0.253 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.028 -2.825 -1.491 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.858 -1.880 -1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.148 -0.981 -2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.199 0.274 0.532 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.800 0.292 -2.990 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.248 2.441 1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.158 2.434 -2.324 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.607 3.534 -0.273 1.00 0.00 H new ATOM 458 N SER A 28 -2.133 -3.341 0.240 1.00 0.00 N ATOM 459 CA SER A 28 -1.561 -4.124 1.347 1.00 0.00 C ATOM 460 C SER A 28 -0.374 -4.978 0.883 1.00 0.00 C ATOM 461 O SER A 28 0.095 -4.839 -0.239 1.00 0.00 O ATOM 462 CB SER A 28 -2.664 -5.034 1.945 1.00 0.00 C ATOM 463 OG SER A 28 -3.270 -5.844 0.952 1.00 0.00 O ATOM 0 H SER A 28 -1.716 -3.557 -0.666 1.00 0.00 H new ATOM 0 HA SER A 28 -1.192 -3.432 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.232 -5.669 2.719 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.424 -4.417 2.425 1.00 0.00 H new ATOM 0 HG SER A 28 -2.659 -6.568 0.703 1.00 0.00 H new ATOM 469 N SER A 29 0.161 -5.799 1.813 1.00 0.00 N ATOM 470 CA SER A 29 0.934 -7.040 1.484 1.00 0.00 C ATOM 471 C SER A 29 2.444 -6.811 1.308 1.00 0.00 C ATOM 472 O SER A 29 3.173 -7.748 0.954 1.00 0.00 O ATOM 473 CB SER A 29 0.335 -7.799 0.255 1.00 0.00 C ATOM 474 OG SER A 29 -1.041 -8.079 0.457 1.00 0.00 O ATOM 0 H SER A 29 0.075 -5.630 2.815 1.00 0.00 H new ATOM 0 HA SER A 29 0.826 -7.675 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.460 -7.198 -0.646 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.880 -8.729 0.095 1.00 0.00 H new ATOM 0 HG SER A 29 -1.397 -8.552 -0.324 1.00 0.00 H new ATOM 480 N GLU A 30 2.916 -5.584 1.574 1.00 0.00 N ATOM 481 CA GLU A 30 4.348 -5.272 1.535 1.00 0.00 C ATOM 482 C GLU A 30 4.939 -5.339 2.964 1.00 0.00 C ATOM 483 O GLU A 30 5.470 -6.375 3.361 1.00 0.00 O ATOM 484 CB GLU A 30 4.597 -3.884 0.872 1.00 0.00 C ATOM 485 CG GLU A 30 6.091 -3.519 0.684 1.00 0.00 C ATOM 486 CD GLU A 30 6.842 -4.400 -0.337 1.00 0.00 C ATOM 487 OE1 GLU A 30 7.272 -5.517 0.019 1.00 0.00 O ATOM 488 OE2 GLU A 30 7.025 -3.959 -1.484 1.00 0.00 O ATOM 0 H GLU A 30 2.323 -4.791 1.819 1.00 0.00 H new ATOM 0 HA GLU A 30 4.857 -6.015 0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.107 -3.868 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.122 -3.115 1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.161 -2.478 0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.594 -3.593 1.648 1.00 0.00 H new ATOM 495 N GLY A 31 4.819 -4.232 3.734 1.00 0.00 N ATOM 496 CA GLY A 31 5.423 -4.124 5.079 1.00 0.00 C ATOM 497 C GLY A 31 6.819 -3.509 5.050 1.00 0.00 C ATOM 498 O GLY A 31 7.372 -3.177 6.106 1.00 0.00 O ATOM 0 H GLY A 31 4.307 -3.399 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.777 -3.519 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.476 -5.115 5.529 1.00 0.00 H new ATOM 502 N TYR A 32 7.373 -3.411 3.822 1.00 0.00 N ATOM 503 CA TYR A 32 8.662 -2.776 3.492 1.00 0.00 C ATOM 504 C TYR A 32 9.853 -3.672 3.907 1.00 0.00 C ATOM 505 O TYR A 32 10.578 -4.169 3.039 1.00 0.00 O ATOM 506 CB TYR A 32 8.773 -1.333 4.075 1.00 0.00 C ATOM 507 CG TYR A 32 10.048 -0.559 3.674 1.00 0.00 C ATOM 508 CD1 TYR A 32 10.519 -0.577 2.357 1.00 0.00 C ATOM 509 CD2 TYR A 32 10.780 0.182 4.606 1.00 0.00 C ATOM 510 CE1 TYR A 32 11.657 0.107 1.994 1.00 0.00 C ATOM 511 CE2 TYR A 32 11.921 0.864 4.243 1.00 0.00 C ATOM 512 CZ TYR A 32 12.352 0.823 2.938 1.00 0.00 C ATOM 513 OH TYR A 32 13.489 1.497 2.572 1.00 0.00 O ATOM 0 H TYR A 32 6.910 -3.791 2.997 1.00 0.00 H new ATOM 0 HA TYR A 32 8.704 -2.670 2.408 1.00 0.00 H new ATOM 0 HB2 TYR A 32 7.903 -0.760 3.753 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.731 -1.393 5.163 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.979 -1.139 1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.444 0.221 5.632 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.002 0.081 0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 32 12.474 1.428 4.980 1.00 0.00 H new ATOM 0 HH TYR A 32 13.863 1.955 3.353 1.00 0.00 H new ATOM 523 N LYS A 33 10.035 -3.888 5.219 1.00 0.00 N ATOM 524 CA LYS A 33 11.173 -4.671 5.745 1.00 0.00 C ATOM 525 C LYS A 33 10.801 -5.285 7.112 1.00 0.00 C ATOM 526 O LYS A 33 10.779 -6.506 7.280 1.00 0.00 O ATOM 527 CB LYS A 33 12.417 -3.743 5.880 1.00 0.00 C ATOM 528 CG LYS A 33 13.768 -4.444 6.155 1.00 0.00 C ATOM 529 CD LYS A 33 14.367 -5.115 4.900 1.00 0.00 C ATOM 530 CE LYS A 33 15.780 -5.677 5.138 1.00 0.00 C ATOM 531 NZ LYS A 33 16.369 -6.240 3.897 1.00 0.00 N ATOM 0 H LYS A 33 9.408 -3.531 5.940 1.00 0.00 H new ATOM 0 HA LYS A 33 11.410 -5.483 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.513 -3.164 4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.229 -3.034 6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.478 -3.713 6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.629 -5.197 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.710 -5.923 4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.402 -4.389 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.426 -4.886 5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.738 -6.452 5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.320 -6.608 4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.767 -7.012 3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.433 -5.495 3.174 1.00 0.00 H new ATOM 545 N ALA A 34 10.507 -4.405 8.076 1.00 0.00 N ATOM 546 CA ALA A 34 10.141 -4.761 9.467 1.00 0.00 C ATOM 547 C ALA A 34 9.003 -3.842 9.928 1.00 0.00 C ATOM 548 O ALA A 34 8.508 -3.050 9.122 1.00 0.00 O ATOM 549 CB ALA A 34 11.370 -4.626 10.376 1.00 0.00 C ATOM 0 H ALA A 34 10.515 -3.398 7.914 1.00 0.00 H new ATOM 0 HA ALA A 34 9.800 -5.795 9.518 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.097 -4.889 11.398 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.156 -5.296 10.027 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.731 -3.598 10.350 1.00 0.00 H new ATOM 555 N LYS A 35 8.582 -3.922 11.213 1.00 0.00 N ATOM 556 CA LYS A 35 7.532 -3.047 11.758 1.00 0.00 C ATOM 557 C LYS A 35 8.039 -1.596 11.836 1.00 0.00 C ATOM 558 O LYS A 35 7.359 -0.687 11.382 1.00 0.00 O ATOM 559 CB LYS A 35 7.081 -3.595 13.152 1.00 0.00 C ATOM 560 CG LYS A 35 6.190 -2.669 14.032 1.00 0.00 C ATOM 561 CD LYS A 35 7.000 -1.778 15.017 1.00 0.00 C ATOM 562 CE LYS A 35 6.106 -0.856 15.856 1.00 0.00 C ATOM 563 NZ LYS A 35 5.139 -1.617 16.679 1.00 0.00 N ATOM 0 H LYS A 35 8.959 -4.588 11.888 1.00 0.00 H new ATOM 0 HA LYS A 35 6.663 -3.045 11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.540 -4.527 12.989 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.976 -3.842 13.722 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.594 -2.028 13.382 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.493 -3.284 14.601 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.582 -2.416 15.682 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.710 -1.173 14.453 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.729 -0.240 16.505 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.565 -0.178 15.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.479 -0.957 17.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.607 -2.273 16.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.651 -2.156 17.406 1.00 0.00 H new ATOM 577 N ALA A 36 9.234 -1.400 12.431 1.00 0.00 N ATOM 578 CA ALA A 36 9.873 -0.066 12.544 1.00 0.00 C ATOM 579 C ALA A 36 9.988 0.602 11.166 1.00 0.00 C ATOM 580 O ALA A 36 9.592 1.758 10.981 1.00 0.00 O ATOM 581 CB ALA A 36 11.253 -0.191 13.207 1.00 0.00 C ATOM 0 H ALA A 36 9.782 -2.154 12.845 1.00 0.00 H new ATOM 0 HA ALA A 36 9.245 0.566 13.172 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.711 0.795 13.284 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.140 -0.617 14.204 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.889 -0.840 12.605 1.00 0.00 H new ATOM 587 N SER A 37 10.466 -0.194 10.197 1.00 0.00 N ATOM 588 CA SER A 37 10.618 0.223 8.797 1.00 0.00 C ATOM 589 C SER A 37 9.246 0.496 8.138 1.00 0.00 C ATOM 590 O SER A 37 9.152 1.319 7.224 1.00 0.00 O ATOM 591 CB SER A 37 11.371 -0.876 8.020 1.00 0.00 C ATOM 592 OG SER A 37 12.495 -1.348 8.742 1.00 0.00 O ATOM 0 H SER A 37 10.761 -1.156 10.367 1.00 0.00 H new ATOM 0 HA SER A 37 11.187 1.152 8.771 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.695 -1.706 7.815 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.695 -0.484 7.056 1.00 0.00 H new ATOM 0 HG SER A 37 13.186 -1.644 8.114 1.00 0.00 H new ATOM 598 N ALA A 38 8.196 -0.206 8.622 1.00 0.00 N ATOM 599 CA ALA A 38 6.818 -0.050 8.125 1.00 0.00 C ATOM 600 C ALA A 38 6.266 1.335 8.484 1.00 0.00 C ATOM 601 O ALA A 38 5.679 1.990 7.626 1.00 0.00 O ATOM 602 CB ALA A 38 5.903 -1.167 8.665 1.00 0.00 C ATOM 0 H ALA A 38 8.285 -0.896 9.368 1.00 0.00 H new ATOM 0 HA ALA A 38 6.839 -0.136 7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.892 -1.026 8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.282 -2.136 8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.887 -1.129 9.754 1.00 0.00 H new ATOM 608 N ILE A 39 6.443 1.773 9.760 1.00 0.00 N ATOM 609 CA ILE A 39 6.098 3.149 10.186 1.00 0.00 C ATOM 610 C ILE A 39 6.821 4.192 9.310 1.00 0.00 C ATOM 611 O ILE A 39 6.178 5.116 8.820 1.00 0.00 O ATOM 612 CB ILE A 39 6.411 3.422 11.727 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.370 2.731 12.678 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.491 4.939 12.057 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.490 1.232 12.816 1.00 0.00 C ATOM 0 H ILE A 39 6.822 1.191 10.507 1.00 0.00 H new ATOM 0 HA ILE A 39 5.020 3.247 10.054 1.00 0.00 H new ATOM 0 HB ILE A 39 7.391 2.979 11.906 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.463 3.175 13.669 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.368 2.963 12.317 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.706 5.070 13.118 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.284 5.398 11.467 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.539 5.414 11.818 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.721 0.866 13.496 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.362 0.765 11.839 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.474 0.981 13.212 1.00 0.00 H new ATOM 627 N HIS A 40 8.153 4.018 9.115 1.00 0.00 N ATOM 628 CA HIS A 40 8.987 4.950 8.304 1.00 0.00 C ATOM 629 C HIS A 40 8.447 5.071 6.868 1.00 0.00 C ATOM 630 O HIS A 40 8.415 6.176 6.286 1.00 0.00 O ATOM 631 CB HIS A 40 10.483 4.524 8.297 1.00 0.00 C ATOM 632 CG HIS A 40 11.190 4.755 9.612 1.00 0.00 C ATOM 633 ND1 HIS A 40 11.454 6.011 10.112 1.00 0.00 N ATOM 634 CD2 HIS A 40 11.675 3.892 10.531 1.00 0.00 C ATOM 635 CE1 HIS A 40 12.066 5.905 11.271 1.00 0.00 C ATOM 636 NE2 HIS A 40 12.214 4.629 11.551 1.00 0.00 N ATOM 0 H HIS A 40 8.677 3.237 9.510 1.00 0.00 H new ATOM 0 HA HIS A 40 8.926 5.931 8.775 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.549 3.467 8.041 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.004 5.074 7.514 1.00 0.00 H new ATOM 0 HD1 HIS A 40 11.212 6.889 9.653 1.00 0.00 H new ATOM 0 HD2 HIS A 40 11.643 2.814 10.472 1.00 0.00 H new ATOM 0 HE1 HIS A 40 12.392 6.728 11.889 1.00 0.00 H new ATOM 645 N ALA A 41 8.002 3.933 6.315 1.00 0.00 N ATOM 646 CA ALA A 41 7.319 3.886 5.025 1.00 0.00 C ATOM 647 C ALA A 41 6.059 4.768 5.066 1.00 0.00 C ATOM 648 O ALA A 41 5.915 5.681 4.271 1.00 0.00 O ATOM 649 CB ALA A 41 6.989 2.429 4.657 1.00 0.00 C ATOM 0 H ALA A 41 8.109 3.019 6.756 1.00 0.00 H new ATOM 0 HA ALA A 41 7.974 4.281 4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.480 2.403 3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.911 1.851 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.342 1.998 5.421 1.00 0.00 H new ATOM 655 N ILE A 42 5.193 4.535 6.047 1.00 0.00 N ATOM 656 CA ILE A 42 3.959 5.325 6.243 1.00 0.00 C ATOM 657 C ILE A 42 4.262 6.828 6.470 1.00 0.00 C ATOM 658 O ILE A 42 3.455 7.690 6.109 1.00 0.00 O ATOM 659 CB ILE A 42 3.120 4.740 7.423 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.810 3.240 7.140 1.00 0.00 C ATOM 661 CG2 ILE A 42 1.811 5.539 7.648 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.328 2.453 8.326 1.00 0.00 C ATOM 0 H ILE A 42 5.318 3.793 6.736 1.00 0.00 H new ATOM 0 HA ILE A 42 3.372 5.253 5.327 1.00 0.00 H new ATOM 0 HB ILE A 42 3.705 4.824 8.339 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.056 3.183 6.355 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.711 2.766 6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.255 5.101 8.477 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.053 6.576 7.881 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.203 5.503 6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.140 1.422 8.026 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.087 2.471 9.108 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.406 2.894 8.705 1.00 0.00 H new ATOM 674 N GLU A 43 5.456 7.138 7.005 1.00 0.00 N ATOM 675 CA GLU A 43 5.871 8.531 7.245 1.00 0.00 C ATOM 676 C GLU A 43 6.059 9.261 5.914 1.00 0.00 C ATOM 677 O GLU A 43 5.791 10.461 5.839 1.00 0.00 O ATOM 678 CB GLU A 43 7.155 8.624 8.101 1.00 0.00 C ATOM 679 CG GLU A 43 7.002 8.092 9.539 1.00 0.00 C ATOM 680 CD GLU A 43 8.200 8.409 10.443 1.00 0.00 C ATOM 681 OE1 GLU A 43 9.271 7.796 10.262 1.00 0.00 O ATOM 682 OE2 GLU A 43 8.081 9.286 11.321 1.00 0.00 O ATOM 0 H GLU A 43 6.150 6.443 7.279 1.00 0.00 H new ATOM 0 HA GLU A 43 5.076 9.014 7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.950 8.068 7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.474 9.666 8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.101 8.518 9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.860 7.012 9.504 1.00 0.00 H new ATOM 689 N SER A 44 6.484 8.517 4.860 1.00 0.00 N ATOM 690 CA SER A 44 6.535 9.031 3.473 1.00 0.00 C ATOM 691 C SER A 44 5.175 9.556 3.020 1.00 0.00 C ATOM 692 O SER A 44 5.092 10.557 2.294 1.00 0.00 O ATOM 693 CB SER A 44 6.982 7.920 2.508 1.00 0.00 C ATOM 694 OG SER A 44 8.337 7.558 2.721 1.00 0.00 O ATOM 0 H SER A 44 6.798 7.551 4.950 1.00 0.00 H new ATOM 0 HA SER A 44 7.252 9.851 3.458 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.346 7.045 2.640 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.852 8.256 1.479 1.00 0.00 H new ATOM 0 HG SER A 44 8.826 7.607 1.873 1.00 0.00 H new ATOM 700 N ILE A 45 4.110 8.855 3.448 1.00 0.00 N ATOM 701 CA ILE A 45 2.754 9.179 3.023 1.00 0.00 C ATOM 702 C ILE A 45 2.323 10.516 3.651 1.00 0.00 C ATOM 703 O ILE A 45 1.754 11.381 2.973 1.00 0.00 O ATOM 704 CB ILE A 45 1.688 8.060 3.374 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.277 6.620 3.293 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.507 8.172 2.399 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.644 6.154 1.908 1.00 0.00 C ATOM 0 H ILE A 45 4.171 8.063 4.087 1.00 0.00 H new ATOM 0 HA ILE A 45 2.780 9.249 1.936 1.00 0.00 H new ATOM 0 HB ILE A 45 1.369 8.225 4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.166 6.572 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.551 5.924 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.232 7.406 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.050 9.157 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.863 8.033 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.044 5.141 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.757 6.162 1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.397 6.821 1.487 1.00 0.00 H new ATOM 719 N LYS A 46 2.644 10.667 4.949 1.00 0.00 N ATOM 720 CA LYS A 46 2.344 11.884 5.748 1.00 0.00 C ATOM 721 C LYS A 46 2.987 13.159 5.166 1.00 0.00 C ATOM 722 O LYS A 46 2.479 14.262 5.392 1.00 0.00 O ATOM 723 CB LYS A 46 2.783 11.687 7.244 1.00 0.00 C ATOM 724 CG LYS A 46 1.802 10.930 8.192 1.00 0.00 C ATOM 725 CD LYS A 46 1.511 9.451 7.801 1.00 0.00 C ATOM 726 CE LYS A 46 0.306 9.274 6.874 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.932 9.764 7.515 1.00 0.00 N ATOM 0 H LYS A 46 3.124 9.944 5.484 1.00 0.00 H new ATOM 0 HA LYS A 46 1.264 12.025 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.733 11.152 7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.970 12.672 7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.212 10.948 9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.858 11.474 8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.394 9.035 7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.345 8.872 8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.476 9.815 5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.193 8.221 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.731 9.648 6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.113 9.219 8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.824 10.770 7.755 1.00 0.00 H new ATOM 741 N ARG A 47 4.084 12.987 4.409 1.00 0.00 N ATOM 742 CA ARG A 47 4.886 14.112 3.878 1.00 0.00 C ATOM 743 C ARG A 47 4.085 14.968 2.862 1.00 0.00 C ATOM 744 O ARG A 47 3.969 16.188 3.030 1.00 0.00 O ATOM 745 CB ARG A 47 6.191 13.596 3.213 1.00 0.00 C ATOM 746 CG ARG A 47 7.073 12.688 4.091 1.00 0.00 C ATOM 747 CD ARG A 47 7.447 13.303 5.447 1.00 0.00 C ATOM 748 NE ARG A 47 8.162 12.333 6.301 1.00 0.00 N ATOM 749 CZ ARG A 47 8.462 12.510 7.596 1.00 0.00 C ATOM 750 NH1 ARG A 47 8.053 13.595 8.241 1.00 0.00 N ATOM 751 NH2 ARG A 47 9.157 11.581 8.242 1.00 0.00 N ATOM 0 H ARG A 47 4.442 12.069 4.146 1.00 0.00 H new ATOM 0 HA ARG A 47 5.141 14.746 4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.925 13.049 2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.783 14.456 2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.550 11.747 4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.987 12.451 3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.073 14.181 5.289 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.544 13.642 5.956 1.00 0.00 H new ATOM 0 HE ARG A 47 8.452 11.455 5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.506 14.303 7.752 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.286 13.721 9.226 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.460 10.738 7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.388 11.710 9.227 1.00 0.00 H new ATOM 765 N ASN A 48 3.511 14.296 1.842 1.00 0.00 N ATOM 766 CA ASN A 48 2.877 14.974 0.672 1.00 0.00 C ATOM 767 C ASN A 48 2.231 13.957 -0.306 1.00 0.00 C ATOM 768 O ASN A 48 1.907 14.294 -1.442 1.00 0.00 O ATOM 769 CB ASN A 48 3.918 15.900 -0.052 1.00 0.00 C ATOM 770 CG ASN A 48 3.338 16.802 -1.149 1.00 0.00 C ATOM 771 OD1 ASN A 48 3.423 16.493 -2.338 1.00 0.00 O ATOM 772 ND2 ASN A 48 2.713 17.898 -0.750 1.00 0.00 N ATOM 0 H ASN A 48 3.469 13.278 1.798 1.00 0.00 H new ATOM 0 HA ASN A 48 2.067 15.601 1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.402 16.529 0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.694 15.273 -0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.282 18.518 -1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.662 18.123 0.244 1.00 0.00 H new ATOM 779 N SER A 49 2.007 12.712 0.142 1.00 0.00 N ATOM 780 CA SER A 49 1.520 11.631 -0.745 1.00 0.00 C ATOM 781 C SER A 49 0.107 11.892 -1.262 1.00 0.00 C ATOM 782 O SER A 49 -0.212 11.466 -2.361 1.00 0.00 O ATOM 783 CB SER A 49 1.558 10.293 -0.039 1.00 0.00 C ATOM 784 OG SER A 49 1.233 9.217 -0.901 1.00 0.00 O ATOM 0 H SER A 49 2.153 12.424 1.110 1.00 0.00 H new ATOM 0 HA SER A 49 2.193 11.611 -1.602 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.553 10.133 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.860 10.307 0.798 1.00 0.00 H new ATOM 0 HG SER A 49 2.042 8.912 -1.362 1.00 0.00 H new ATOM 790 N ALA A 50 -0.736 12.569 -0.462 1.00 0.00 N ATOM 791 CA ALA A 50 -2.049 13.049 -0.924 1.00 0.00 C ATOM 792 C ALA A 50 -1.914 14.021 -2.117 1.00 0.00 C ATOM 793 O ALA A 50 -2.756 14.028 -3.016 1.00 0.00 O ATOM 794 CB ALA A 50 -2.827 13.678 0.239 1.00 0.00 C ATOM 0 H ALA A 50 -0.529 12.796 0.511 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.617 12.191 -1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.795 14.028 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.976 12.934 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.263 14.519 0.641 1.00 0.00 H new ATOM 800 N GLY A 51 -0.823 14.804 -2.131 1.00 0.00 N ATOM 801 CA GLY A 51 -0.518 15.724 -3.239 1.00 0.00 C ATOM 802 C GLY A 51 0.455 15.152 -4.280 1.00 0.00 C ATOM 803 O GLY A 51 0.831 15.866 -5.217 1.00 0.00 O ATOM 0 H GLY A 51 -0.132 14.818 -1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.448 15.996 -3.738 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.096 16.642 -2.829 1.00 0.00 H new ATOM 807 N ALA A 52 0.862 13.867 -4.111 1.00 0.00 N ATOM 808 CA ALA A 52 1.785 13.172 -5.046 1.00 0.00 C ATOM 809 C ALA A 52 1.147 12.978 -6.432 1.00 0.00 C ATOM 810 O ALA A 52 -0.067 13.107 -6.588 1.00 0.00 O ATOM 811 CB ALA A 52 2.202 11.812 -4.463 1.00 0.00 C ATOM 0 H ALA A 52 0.562 13.287 -3.328 1.00 0.00 H new ATOM 0 HA ALA A 52 2.668 13.799 -5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.878 11.311 -5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.707 11.964 -3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.317 11.195 -4.310 1.00 0.00 H new ATOM 817 N ASP A 53 1.967 12.657 -7.442 1.00 0.00 N ATOM 818 CA ASP A 53 1.462 12.383 -8.796 1.00 0.00 C ATOM 819 C ASP A 53 1.131 10.882 -8.935 1.00 0.00 C ATOM 820 O ASP A 53 1.615 10.053 -8.160 1.00 0.00 O ATOM 821 CB ASP A 53 2.485 12.843 -9.868 1.00 0.00 C ATOM 822 CG ASP A 53 1.881 12.881 -11.283 1.00 0.00 C ATOM 823 OD1 ASP A 53 1.108 13.816 -11.569 1.00 0.00 O ATOM 824 OD2 ASP A 53 2.127 11.968 -12.094 1.00 0.00 O ATOM 0 H ASP A 53 2.980 12.581 -7.349 1.00 0.00 H new ATOM 0 HA ASP A 53 0.546 12.952 -8.958 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.857 13.834 -9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.342 12.169 -9.860 1.00 0.00 H new ATOM 829 N THR A 54 0.245 10.554 -9.875 1.00 0.00 N ATOM 830 CA THR A 54 -0.094 9.168 -10.222 1.00 0.00 C ATOM 831 C THR A 54 0.468 8.871 -11.627 1.00 0.00 C ATOM 832 O THR A 54 -0.120 9.267 -12.635 1.00 0.00 O ATOM 833 CB THR A 54 -1.650 8.966 -10.168 1.00 0.00 C ATOM 834 OG1 THR A 54 -2.150 9.413 -8.892 1.00 0.00 O ATOM 835 CG2 THR A 54 -2.069 7.506 -10.376 1.00 0.00 C ATOM 0 H THR A 54 -0.264 11.247 -10.424 1.00 0.00 H new ATOM 0 HA THR A 54 0.348 8.473 -9.507 1.00 0.00 H new ATOM 0 HB THR A 54 -2.073 9.552 -10.984 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.121 9.288 -8.859 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.155 7.429 -10.328 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.724 7.164 -11.352 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.627 6.886 -9.596 1.00 0.00 H new ATOM 843 N VAL A 55 1.647 8.225 -11.672 1.00 0.00 N ATOM 844 CA VAL A 55 2.345 7.873 -12.924 1.00 0.00 C ATOM 845 C VAL A 55 2.032 6.418 -13.296 1.00 0.00 C ATOM 846 O VAL A 55 2.197 5.530 -12.460 1.00 0.00 O ATOM 847 CB VAL A 55 3.904 8.042 -12.778 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.620 7.855 -14.137 1.00 0.00 C ATOM 849 CG2 VAL A 55 4.254 9.405 -12.146 1.00 0.00 C ATOM 0 H VAL A 55 2.147 7.930 -10.834 1.00 0.00 H new ATOM 0 HA VAL A 55 1.995 8.547 -13.706 1.00 0.00 H new ATOM 0 HB VAL A 55 4.262 7.260 -12.108 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.695 7.978 -14.002 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.415 6.856 -14.522 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.256 8.599 -14.845 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.336 9.497 -12.056 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.873 10.207 -12.777 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.800 9.475 -11.157 1.00 0.00 H new ATOM 859 N ASP A 56 1.570 6.192 -14.539 1.00 0.00 N ATOM 860 CA ASP A 56 1.273 4.844 -15.053 1.00 0.00 C ATOM 861 C ASP A 56 2.321 4.426 -16.108 1.00 0.00 C ATOM 862 O ASP A 56 2.390 4.995 -17.202 1.00 0.00 O ATOM 863 CB ASP A 56 -0.152 4.790 -15.640 1.00 0.00 C ATOM 864 CG ASP A 56 -0.572 3.356 -15.997 1.00 0.00 C ATOM 865 OD1 ASP A 56 -0.266 2.881 -17.114 1.00 0.00 O ATOM 866 OD2 ASP A 56 -1.205 2.693 -15.158 1.00 0.00 O ATOM 0 H ASP A 56 1.393 6.937 -15.213 1.00 0.00 H new ATOM 0 HA ASP A 56 1.324 4.137 -14.225 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.857 5.206 -14.920 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.201 5.415 -16.532 1.00 0.00 H new ATOM 871 N LEU A 57 3.137 3.435 -15.736 1.00 0.00 N ATOM 872 CA LEU A 57 4.189 2.845 -16.586 1.00 0.00 C ATOM 873 C LEU A 57 3.685 1.598 -17.353 1.00 0.00 C ATOM 874 O LEU A 57 4.333 1.177 -18.315 1.00 0.00 O ATOM 875 CB LEU A 57 5.438 2.448 -15.729 1.00 0.00 C ATOM 876 CG LEU A 57 6.152 3.581 -14.906 1.00 0.00 C ATOM 877 CD1 LEU A 57 6.562 4.782 -15.781 1.00 0.00 C ATOM 878 CD2 LEU A 57 5.316 4.036 -13.704 1.00 0.00 C ATOM 0 H LEU A 57 3.087 3.006 -14.812 1.00 0.00 H new ATOM 0 HA LEU A 57 4.468 3.608 -17.313 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.131 1.669 -15.031 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.176 2.004 -16.398 1.00 0.00 H new ATOM 0 HG LEU A 57 7.070 3.137 -14.521 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.050 5.534 -15.161 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.251 4.448 -16.557 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.675 5.214 -16.244 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.849 4.819 -13.166 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.358 4.422 -14.052 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.145 3.190 -13.038 1.00 0.00 H new ATOM 890 N THR A 58 2.536 1.014 -16.939 1.00 0.00 N ATOM 891 CA THR A 58 2.023 -0.250 -17.537 1.00 0.00 C ATOM 892 C THR A 58 1.154 0.005 -18.789 1.00 0.00 C ATOM 893 O THR A 58 0.567 -0.921 -19.359 1.00 0.00 O ATOM 894 CB THR A 58 1.284 -1.145 -16.478 1.00 0.00 C ATOM 895 OG1 THR A 58 0.751 -2.343 -17.064 1.00 0.00 O ATOM 896 CG2 THR A 58 0.184 -0.408 -15.716 1.00 0.00 C ATOM 0 H THR A 58 1.946 1.392 -16.198 1.00 0.00 H new ATOM 0 HA THR A 58 2.894 -0.812 -17.873 1.00 0.00 H new ATOM 0 HB THR A 58 2.054 -1.415 -15.755 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.498 -2.167 -17.994 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.282 -1.087 -15.003 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.616 0.438 -15.182 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.567 -0.048 -16.419 1.00 0.00 H new ATOM 904 N THR A 59 1.122 1.260 -19.254 1.00 0.00 N ATOM 905 CA THR A 59 0.587 1.604 -20.584 1.00 0.00 C ATOM 906 C THR A 59 1.575 1.151 -21.688 1.00 0.00 C ATOM 907 O THR A 59 1.204 1.060 -22.859 1.00 0.00 O ATOM 908 CB THR A 59 0.279 3.145 -20.694 1.00 0.00 C ATOM 909 OG1 THR A 59 1.218 3.894 -19.893 1.00 0.00 O ATOM 910 CG2 THR A 59 -1.154 3.489 -20.252 1.00 0.00 C ATOM 0 H THR A 59 1.463 2.063 -18.726 1.00 0.00 H new ATOM 0 HA THR A 59 -0.355 1.074 -20.724 1.00 0.00 H new ATOM 0 HB THR A 59 0.377 3.417 -21.745 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.021 4.851 -19.968 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.316 4.563 -20.347 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.867 2.957 -20.883 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.296 3.191 -19.213 1.00 0.00 H new ATOM 918 N MET A 60 2.836 0.887 -21.284 1.00 0.00 N ATOM 919 CA MET A 60 3.864 0.307 -22.158 1.00 0.00 C ATOM 920 C MET A 60 3.800 -1.229 -22.083 1.00 0.00 C ATOM 921 O MET A 60 3.615 -1.902 -23.103 1.00 0.00 O ATOM 922 CB MET A 60 5.275 0.814 -21.740 1.00 0.00 C ATOM 923 CG MET A 60 6.438 0.271 -22.588 1.00 0.00 C ATOM 924 SD MET A 60 8.042 0.902 -22.047 1.00 0.00 S ATOM 925 CE MET A 60 9.171 0.098 -23.189 1.00 0.00 C ATOM 0 H MET A 60 3.166 1.073 -20.337 1.00 0.00 H new ATOM 0 HA MET A 60 3.678 0.619 -23.186 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.284 1.903 -21.793 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.448 0.544 -20.698 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.443 -0.818 -22.537 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.279 0.540 -23.632 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.193 0.402 -22.964 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.083 -0.984 -23.087 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.923 0.387 -24.210 1.00 0.00 H new ATOM 935 N THR A 61 3.930 -1.769 -20.853 1.00 0.00 N ATOM 936 CA THR A 61 4.029 -3.220 -20.614 1.00 0.00 C ATOM 937 C THR A 61 2.690 -3.926 -20.907 1.00 0.00 C ATOM 938 O THR A 61 1.616 -3.348 -20.697 1.00 0.00 O ATOM 939 CB THR A 61 4.492 -3.516 -19.147 1.00 0.00 C ATOM 940 OG1 THR A 61 3.570 -2.943 -18.210 1.00 0.00 O ATOM 941 CG2 THR A 61 5.906 -2.961 -18.868 1.00 0.00 C ATOM 0 H THR A 61 3.969 -1.210 -20.000 1.00 0.00 H new ATOM 0 HA THR A 61 4.779 -3.616 -21.299 1.00 0.00 H new ATOM 0 HB THR A 61 4.518 -4.599 -19.030 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.947 -2.995 -17.307 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.189 -3.187 -17.840 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.619 -3.422 -19.551 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.909 -1.881 -19.016 1.00 0.00 H new ATOM 949 N ALA A 62 2.773 -5.174 -21.391 1.00 0.00 N ATOM 950 CA ALA A 62 1.603 -5.968 -21.796 1.00 0.00 C ATOM 951 C ALA A 62 1.872 -7.458 -21.479 1.00 0.00 C ATOM 952 O ALA A 62 2.537 -8.142 -22.285 1.00 0.00 O ATOM 953 CB ALA A 62 1.297 -5.733 -23.295 1.00 0.00 C ATOM 954 OXT ALA A 62 1.459 -7.927 -20.404 1.00 0.00 O ATOM 0 H ALA A 62 3.659 -5.664 -21.513 1.00 0.00 H new ATOM 0 HA ALA A 62 0.720 -5.657 -21.237 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.429 -6.325 -23.586 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.088 -4.676 -23.462 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.158 -6.032 -23.893 1.00 0.00 H new TER 960 ALA A 62 ATOM 961 N MET B 1 9.271 15.693 -7.422 1.00 0.00 N ATOM 962 CA MET B 1 8.401 15.175 -6.340 1.00 0.00 C ATOM 963 C MET B 1 8.229 13.651 -6.477 1.00 0.00 C ATOM 964 O MET B 1 8.273 13.101 -7.583 1.00 0.00 O ATOM 965 CB MET B 1 7.015 15.883 -6.369 1.00 0.00 C ATOM 966 CG MET B 1 6.065 15.519 -5.214 1.00 0.00 C ATOM 967 SD MET B 1 4.432 16.273 -5.386 1.00 0.00 S ATOM 968 CE MET B 1 3.888 15.623 -6.972 1.00 0.00 C ATOM 0 H1 MET B 1 8.924 16.624 -7.731 1.00 0.00 H new ATOM 0 H2 MET B 1 10.245 15.786 -7.070 1.00 0.00 H new ATOM 0 H3 MET B 1 9.255 15.033 -8.226 1.00 0.00 H new ATOM 0 HA MET B 1 8.876 15.387 -5.382 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.176 16.961 -6.359 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.523 15.643 -7.311 1.00 0.00 H new ATOM 0 HG2 MET B 1 5.957 14.435 -5.167 1.00 0.00 H new ATOM 0 HG3 MET B 1 6.509 15.836 -4.271 1.00 0.00 H new ATOM 0 HE1 MET B 1 2.803 15.701 -7.044 1.00 0.00 H new ATOM 0 HE2 MET B 1 4.348 16.196 -7.777 1.00 0.00 H new ATOM 0 HE3 MET B 1 4.183 14.577 -7.057 1.00 0.00 H new ATOM 978 N TYR B 2 8.045 12.984 -5.328 1.00 0.00 N ATOM 979 CA TYR B 2 7.668 11.562 -5.264 1.00 0.00 C ATOM 980 C TYR B 2 6.223 11.347 -5.761 1.00 0.00 C ATOM 981 O TYR B 2 5.398 12.268 -5.769 1.00 0.00 O ATOM 982 CB TYR B 2 7.867 10.999 -3.833 1.00 0.00 C ATOM 983 CG TYR B 2 7.598 11.991 -2.693 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.306 12.445 -2.409 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.648 12.506 -1.929 1.00 0.00 C ATOM 986 CE1 TYR B 2 6.083 13.356 -1.402 1.00 0.00 C ATOM 987 CE2 TYR B 2 8.424 13.423 -0.930 1.00 0.00 C ATOM 988 CZ TYR B 2 7.147 13.847 -0.672 1.00 0.00 C ATOM 989 OH TYR B 2 6.935 14.778 0.311 1.00 0.00 O ATOM 0 H TYR B 2 8.154 13.417 -4.411 1.00 0.00 H new ATOM 0 HA TYR B 2 8.328 11.008 -5.931 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.211 10.138 -3.705 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.891 10.636 -3.742 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.472 12.076 -2.988 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.657 12.177 -2.128 1.00 0.00 H new ATOM 0 HE1 TYR B 2 5.078 13.686 -1.183 1.00 0.00 H new ATOM 0 HE2 TYR B 2 9.251 13.808 -0.351 1.00 0.00 H new ATOM 0 HH TYR B 2 7.790 15.015 0.727 1.00 0.00 H new ATOM 999 N LYS B 3 5.932 10.094 -6.128 1.00 0.00 N ATOM 1000 CA LYS B 3 4.733 9.731 -6.893 1.00 0.00 C ATOM 1001 C LYS B 3 4.499 8.214 -6.864 1.00 0.00 C ATOM 1002 O LYS B 3 5.313 7.451 -6.324 1.00 0.00 O ATOM 1003 CB LYS B 3 4.807 10.287 -8.370 1.00 0.00 C ATOM 1004 CG LYS B 3 6.202 10.296 -9.056 1.00 0.00 C ATOM 1005 CD LYS B 3 6.825 8.898 -9.258 1.00 0.00 C ATOM 1006 CE LYS B 3 8.199 8.974 -9.947 1.00 0.00 C ATOM 1007 NZ LYS B 3 9.155 9.826 -9.190 1.00 0.00 N ATOM 0 H LYS B 3 6.526 9.297 -5.901 1.00 0.00 H new ATOM 0 HA LYS B 3 3.873 10.201 -6.416 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.130 9.696 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.426 11.308 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.112 10.784 -10.027 1.00 0.00 H new ATOM 0 HG3 LYS B 3 6.883 10.900 -8.457 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.931 8.405 -8.292 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.152 8.284 -9.857 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.610 7.970 -10.048 1.00 0.00 H new ATOM 0 HE3 LYS B 3 8.078 9.372 -10.955 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 10.115 9.691 -9.568 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 8.882 10.825 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.138 9.559 -8.185 1.00 0.00 H new ATOM 1021 N PHE B 4 3.379 7.802 -7.469 1.00 0.00 N ATOM 1022 CA PHE B 4 2.942 6.407 -7.532 1.00 0.00 C ATOM 1023 C PHE B 4 3.233 5.842 -8.922 1.00 0.00 C ATOM 1024 O PHE B 4 2.640 6.268 -9.915 1.00 0.00 O ATOM 1025 CB PHE B 4 1.439 6.299 -7.198 1.00 0.00 C ATOM 1026 CG PHE B 4 1.122 6.570 -5.727 1.00 0.00 C ATOM 1027 CD1 PHE B 4 0.989 7.875 -5.242 1.00 0.00 C ATOM 1028 CD2 PHE B 4 0.960 5.513 -4.828 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.708 8.106 -3.911 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.677 5.748 -3.500 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.551 7.041 -3.043 1.00 0.00 C ATOM 0 H PHE B 4 2.740 8.444 -7.937 1.00 0.00 H new ATOM 0 HA PHE B 4 3.492 5.824 -6.794 1.00 0.00 H new ATOM 0 HB2 PHE B 4 0.885 7.005 -7.817 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.087 5.301 -7.460 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.107 8.710 -5.916 1.00 0.00 H new ATOM 0 HD2 PHE B 4 1.058 4.496 -5.179 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.611 9.118 -3.547 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.554 4.919 -2.818 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.329 7.224 -2.002 1.00 0.00 H new ATOM 1041 N GLU B 5 4.154 4.880 -8.970 1.00 0.00 N ATOM 1042 CA GLU B 5 4.566 4.232 -10.216 1.00 0.00 C ATOM 1043 C GLU B 5 3.774 2.940 -10.392 1.00 0.00 C ATOM 1044 O GLU B 5 4.007 1.969 -9.663 1.00 0.00 O ATOM 1045 CB GLU B 5 6.101 3.983 -10.230 1.00 0.00 C ATOM 1046 CG GLU B 5 6.923 5.279 -10.414 1.00 0.00 C ATOM 1047 CD GLU B 5 8.431 5.055 -10.608 1.00 0.00 C ATOM 1048 OE1 GLU B 5 9.025 4.305 -9.828 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.028 5.638 -11.533 1.00 0.00 O ATOM 0 H GLU B 5 4.637 4.527 -8.144 1.00 0.00 H new ATOM 0 HA GLU B 5 4.350 4.887 -11.060 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.394 3.503 -9.296 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.343 3.289 -11.035 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.535 5.821 -11.277 1.00 0.00 H new ATOM 0 HG3 GLU B 5 6.772 5.917 -9.543 1.00 0.00 H new ATOM 1056 N ILE B 6 2.842 2.945 -11.370 1.00 0.00 N ATOM 1057 CA ILE B 6 1.924 1.834 -11.633 1.00 0.00 C ATOM 1058 C ILE B 6 2.483 1.014 -12.773 1.00 0.00 C ATOM 1059 O ILE B 6 2.602 1.504 -13.891 1.00 0.00 O ATOM 1060 CB ILE B 6 0.497 2.325 -12.061 1.00 0.00 C ATOM 1061 CG1 ILE B 6 -0.017 3.423 -11.094 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.506 1.131 -12.152 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.214 4.185 -11.622 1.00 0.00 C ATOM 0 H ILE B 6 2.711 3.734 -12.003 1.00 0.00 H new ATOM 0 HA ILE B 6 1.830 1.259 -10.712 1.00 0.00 H new ATOM 0 HB ILE B 6 0.573 2.764 -13.056 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.281 2.962 -10.142 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.791 4.126 -10.894 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.487 1.502 -12.451 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.150 0.412 -12.890 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.583 0.645 -11.179 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.518 4.936 -10.893 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.949 4.675 -12.559 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.038 3.493 -11.795 1.00 0.00 H new ATOM 1075 N TYR B 7 2.786 -0.226 -12.514 1.00 0.00 N ATOM 1076 CA TYR B 7 3.295 -1.127 -13.532 1.00 0.00 C ATOM 1077 C TYR B 7 2.598 -2.475 -13.405 1.00 0.00 C ATOM 1078 O TYR B 7 1.712 -2.666 -12.564 1.00 0.00 O ATOM 1079 CB TYR B 7 4.843 -1.231 -13.437 1.00 0.00 C ATOM 1080 CG TYR B 7 5.370 -1.650 -12.050 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.620 -0.695 -11.055 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.596 -2.993 -11.731 1.00 0.00 C ATOM 1083 CE1 TYR B 7 6.085 -1.062 -9.808 1.00 0.00 C ATOM 1084 CE2 TYR B 7 6.059 -3.362 -10.482 1.00 0.00 C ATOM 1085 CZ TYR B 7 6.296 -2.395 -9.524 1.00 0.00 C ATOM 1086 OH TYR B 7 6.756 -2.763 -8.279 1.00 0.00 O ATOM 0 H TYR B 7 2.690 -0.650 -11.592 1.00 0.00 H new ATOM 0 HA TYR B 7 3.075 -0.738 -14.526 1.00 0.00 H new ATOM 0 HB2 TYR B 7 5.193 -1.950 -14.177 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.277 -0.266 -13.701 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.445 0.349 -11.268 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.406 -3.754 -12.473 1.00 0.00 H new ATOM 0 HE1 TYR B 7 6.282 -0.309 -9.059 1.00 0.00 H new ATOM 0 HE2 TYR B 7 6.235 -4.403 -10.256 1.00 0.00 H new ATOM 0 HH TYR B 7 6.126 -2.456 -7.594 1.00 0.00 H new ATOM 1096 N GLN B 8 2.971 -3.380 -14.283 1.00 0.00 N ATOM 1097 CA GLN B 8 2.663 -4.796 -14.136 1.00 0.00 C ATOM 1098 C GLN B 8 3.994 -5.555 -14.184 1.00 0.00 C ATOM 1099 O GLN B 8 4.948 -5.136 -14.857 1.00 0.00 O ATOM 1100 CB GLN B 8 1.649 -5.295 -15.206 1.00 0.00 C ATOM 1101 CG GLN B 8 2.240 -5.733 -16.549 1.00 0.00 C ATOM 1102 CD GLN B 8 1.181 -5.875 -17.642 1.00 0.00 C ATOM 1103 OE1 GLN B 8 0.553 -7.035 -17.720 1.00 0.00 O flip ATOM 1104 NE2 GLN B 8 0.899 -4.935 -18.379 1.00 0.00 N flip ATOM 0 H GLN B 8 3.500 -3.158 -15.126 1.00 0.00 H new ATOM 0 HA GLN B 8 2.165 -4.978 -13.183 1.00 0.00 H new ATOM 0 HB2 GLN B 8 1.094 -6.134 -14.786 1.00 0.00 H new ATOM 0 HB3 GLN B 8 0.929 -4.498 -15.393 1.00 0.00 H new ATOM 0 HG2 GLN B 8 2.988 -5.007 -16.866 1.00 0.00 H new ATOM 0 HG3 GLN B 8 2.754 -6.685 -16.421 1.00 0.00 H new ATOM 0 HE21 GLN B 8 1.402 -4.052 -18.294 1.00 0.00 H new ATOM 0 HE22 GLN B 8 0.161 -5.037 -19.076 1.00 0.00 H new ATOM 1113 N ASP B 9 4.041 -6.648 -13.446 1.00 0.00 N ATOM 1114 CA ASP B 9 5.216 -7.506 -13.322 1.00 0.00 C ATOM 1115 C ASP B 9 5.256 -8.438 -14.543 1.00 0.00 C ATOM 1116 O ASP B 9 4.221 -8.603 -15.194 1.00 0.00 O ATOM 1117 CB ASP B 9 5.094 -8.288 -11.987 1.00 0.00 C ATOM 1118 CG ASP B 9 6.272 -9.228 -11.696 1.00 0.00 C ATOM 1119 OD1 ASP B 9 7.328 -8.747 -11.240 1.00 0.00 O ATOM 1120 OD2 ASP B 9 6.145 -10.448 -11.926 1.00 0.00 O ATOM 0 H ASP B 9 3.245 -6.977 -12.900 1.00 0.00 H new ATOM 0 HA ASP B 9 6.146 -6.939 -13.301 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.003 -7.574 -11.168 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.174 -8.872 -12.004 1.00 0.00 H new ATOM 1125 N LYS B 10 6.440 -9.033 -14.832 1.00 0.00 N ATOM 1126 CA LYS B 10 6.672 -9.958 -15.978 1.00 0.00 C ATOM 1127 C LYS B 10 5.614 -11.083 -16.014 1.00 0.00 C ATOM 1128 O LYS B 10 5.162 -11.499 -17.079 1.00 0.00 O ATOM 1129 CB LYS B 10 8.101 -10.555 -15.899 1.00 0.00 C ATOM 1130 CG LYS B 10 8.463 -11.531 -17.040 1.00 0.00 C ATOM 1131 CD LYS B 10 9.791 -12.270 -16.790 1.00 0.00 C ATOM 1132 CE LYS B 10 10.171 -13.209 -17.940 1.00 0.00 C ATOM 1133 NZ LYS B 10 11.488 -13.849 -17.724 1.00 0.00 N ATOM 0 H LYS B 10 7.277 -8.883 -14.268 1.00 0.00 H new ATOM 0 HA LYS B 10 6.578 -9.387 -16.901 1.00 0.00 H new ATOM 0 HB2 LYS B 10 8.821 -9.737 -15.899 1.00 0.00 H new ATOM 0 HB3 LYS B 10 8.209 -11.076 -14.947 1.00 0.00 H new ATOM 0 HG2 LYS B 10 7.662 -12.261 -17.156 1.00 0.00 H new ATOM 0 HG3 LYS B 10 8.530 -10.979 -17.978 1.00 0.00 H new ATOM 0 HD2 LYS B 10 10.587 -11.539 -16.645 1.00 0.00 H new ATOM 0 HD3 LYS B 10 9.714 -12.845 -15.867 1.00 0.00 H new ATOM 0 HE2 LYS B 10 9.407 -13.979 -18.046 1.00 0.00 H new ATOM 0 HE3 LYS B 10 10.190 -12.648 -18.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 11.705 -14.475 -18.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 12.222 -13.116 -17.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 11.463 -14.406 -16.846 1.00 0.00 H new ATOM 1147 N ALA B 11 5.203 -11.524 -14.811 1.00 0.00 N ATOM 1148 CA ALA B 11 4.120 -12.516 -14.614 1.00 0.00 C ATOM 1149 C ALA B 11 2.709 -11.980 -15.036 1.00 0.00 C ATOM 1150 O ALA B 11 1.707 -12.666 -14.836 1.00 0.00 O ATOM 1151 CB ALA B 11 4.118 -12.975 -13.145 1.00 0.00 C ATOM 0 H ALA B 11 5.616 -11.200 -13.936 1.00 0.00 H new ATOM 0 HA ALA B 11 4.323 -13.363 -15.270 1.00 0.00 H new ATOM 0 HB1 ALA B 11 3.323 -13.705 -12.993 1.00 0.00 H new ATOM 0 HB2 ALA B 11 5.079 -13.429 -12.904 1.00 0.00 H new ATOM 0 HB3 ALA B 11 3.950 -12.116 -12.496 1.00 0.00 H new ATOM 1157 N GLY B 12 2.659 -10.772 -15.635 1.00 0.00 N ATOM 1158 CA GLY B 12 1.426 -10.093 -16.034 1.00 0.00 C ATOM 1159 C GLY B 12 0.595 -9.633 -14.850 1.00 0.00 C ATOM 1160 O GLY B 12 -0.628 -9.516 -14.949 1.00 0.00 O ATOM 0 H GLY B 12 3.498 -10.236 -15.856 1.00 0.00 H new ATOM 0 HA2 GLY B 12 1.676 -9.231 -16.653 1.00 0.00 H new ATOM 0 HA3 GLY B 12 0.830 -10.766 -16.650 1.00 0.00 H new ATOM 1164 N GLU B 13 1.271 -9.351 -13.722 1.00 0.00 N ATOM 1165 CA GLU B 13 0.596 -9.085 -12.431 1.00 0.00 C ATOM 1166 C GLU B 13 0.735 -7.610 -12.053 1.00 0.00 C ATOM 1167 O GLU B 13 1.837 -7.157 -11.766 1.00 0.00 O ATOM 1168 CB GLU B 13 1.179 -9.995 -11.314 1.00 0.00 C ATOM 1169 CG GLU B 13 1.025 -11.505 -11.589 1.00 0.00 C ATOM 1170 CD GLU B 13 1.404 -12.383 -10.387 1.00 0.00 C ATOM 1171 OE1 GLU B 13 2.607 -12.492 -10.076 1.00 0.00 O ATOM 1172 OE2 GLU B 13 0.499 -12.937 -9.725 1.00 0.00 O ATOM 0 H GLU B 13 2.289 -9.300 -13.675 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.464 -9.314 -12.539 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.237 -9.765 -11.188 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.687 -9.756 -10.371 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.007 -11.713 -11.871 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.649 -11.778 -12.440 1.00 0.00 H new ATOM 1179 N TYR B 14 -0.403 -6.901 -11.931 1.00 0.00 N ATOM 1180 CA TYR B 14 -0.400 -5.442 -11.736 1.00 0.00 C ATOM 1181 C TYR B 14 0.039 -5.138 -10.301 1.00 0.00 C ATOM 1182 O TYR B 14 -0.550 -5.646 -9.350 1.00 0.00 O ATOM 1183 CB TYR B 14 -1.787 -4.821 -12.050 1.00 0.00 C ATOM 1184 CG TYR B 14 -2.108 -4.857 -13.551 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -1.650 -3.847 -14.403 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -2.819 -5.915 -14.124 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -1.894 -3.892 -15.760 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -3.070 -5.955 -15.482 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.603 -4.943 -16.294 1.00 0.00 C ATOM 1190 OH TYR B 14 -2.838 -4.982 -17.649 1.00 0.00 O ATOM 0 H TYR B 14 -1.334 -7.316 -11.964 1.00 0.00 H new ATOM 0 HA TYR B 14 0.305 -4.988 -12.433 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -2.558 -5.361 -11.501 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.810 -3.789 -11.699 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.095 -3.017 -13.991 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -3.179 -6.715 -13.494 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -1.529 -3.104 -16.402 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.630 -6.776 -15.906 1.00 0.00 H new ATOM 0 HH TYR B 14 -3.351 -5.788 -17.869 1.00 0.00 H new ATOM 1200 N ARG B 15 1.132 -4.372 -10.192 1.00 0.00 N ATOM 1201 CA ARG B 15 1.723 -3.929 -8.913 1.00 0.00 C ATOM 1202 C ARG B 15 2.080 -2.452 -9.069 1.00 0.00 C ATOM 1203 O ARG B 15 2.665 -2.072 -10.087 1.00 0.00 O ATOM 1204 CB ARG B 15 3.037 -4.720 -8.545 1.00 0.00 C ATOM 1205 CG ARG B 15 3.011 -6.257 -8.760 1.00 0.00 C ATOM 1206 CD ARG B 15 1.956 -6.960 -7.905 1.00 0.00 C ATOM 1207 NE ARG B 15 1.923 -8.412 -8.114 1.00 0.00 N ATOM 1208 CZ ARG B 15 1.019 -9.242 -7.574 1.00 0.00 C ATOM 1209 NH1 ARG B 15 0.036 -8.782 -6.812 1.00 0.00 N ATOM 1210 NH2 ARG B 15 1.094 -10.535 -7.813 1.00 0.00 N ATOM 0 H ARG B 15 1.645 -4.033 -11.006 1.00 0.00 H new ATOM 0 HA ARG B 15 1.001 -4.108 -8.117 1.00 0.00 H new ATOM 0 HB2 ARG B 15 3.857 -4.308 -9.133 1.00 0.00 H new ATOM 0 HB3 ARG B 15 3.268 -4.527 -7.497 1.00 0.00 H new ATOM 0 HG2 ARG B 15 2.819 -6.468 -9.812 1.00 0.00 H new ATOM 0 HG3 ARG B 15 3.993 -6.668 -8.527 1.00 0.00 H new ATOM 0 HD2 ARG B 15 2.153 -6.754 -6.853 1.00 0.00 H new ATOM 0 HD3 ARG B 15 0.975 -6.543 -8.133 1.00 0.00 H new ATOM 0 HE ARG B 15 2.640 -8.820 -8.714 1.00 0.00 H new ATOM 0 HH11 ARG B 15 -0.041 -7.782 -6.628 1.00 0.00 H new ATOM 0 HH12 ARG B 15 -0.643 -9.429 -6.410 1.00 0.00 H new ATOM 0 HH21 ARG B 15 1.838 -10.902 -8.407 1.00 0.00 H new ATOM 0 HH22 ARG B 15 0.408 -11.170 -7.404 1.00 0.00 H new ATOM 1224 N PHE B 16 1.774 -1.625 -8.069 1.00 0.00 N ATOM 1225 CA PHE B 16 2.288 -0.252 -8.026 1.00 0.00 C ATOM 1226 C PHE B 16 3.071 -0.038 -6.743 1.00 0.00 C ATOM 1227 O PHE B 16 3.178 -0.948 -5.905 1.00 0.00 O ATOM 1228 CB PHE B 16 1.178 0.817 -8.245 1.00 0.00 C ATOM 1229 CG PHE B 16 0.085 0.940 -7.191 1.00 0.00 C ATOM 1230 CD1 PHE B 16 0.223 1.817 -6.117 1.00 0.00 C ATOM 1231 CD2 PHE B 16 -1.104 0.227 -7.308 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -0.788 1.963 -5.198 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -2.123 0.383 -6.390 1.00 0.00 C ATOM 1234 CZ PHE B 16 -1.964 1.250 -5.333 1.00 0.00 C ATOM 0 H PHE B 16 1.177 -1.878 -7.282 1.00 0.00 H new ATOM 0 HA PHE B 16 2.970 -0.117 -8.866 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.664 1.788 -8.337 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.698 0.609 -9.201 1.00 0.00 H new ATOM 0 HD1 PHE B 16 1.133 2.387 -6.006 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -1.232 -0.460 -8.131 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -0.663 2.639 -4.365 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -3.042 -0.173 -6.501 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.757 1.373 -4.610 1.00 0.00 H new ATOM 1244 N ARG B 17 3.695 1.142 -6.667 1.00 0.00 N ATOM 1245 CA ARG B 17 4.528 1.550 -5.533 1.00 0.00 C ATOM 1246 C ARG B 17 4.398 3.051 -5.263 1.00 0.00 C ATOM 1247 O ARG B 17 3.812 3.778 -6.069 1.00 0.00 O ATOM 1248 CB ARG B 17 6.003 1.171 -5.832 1.00 0.00 C ATOM 1249 CG ARG B 17 6.609 1.767 -7.113 1.00 0.00 C ATOM 1250 CD ARG B 17 8.025 1.229 -7.353 1.00 0.00 C ATOM 1251 NE ARG B 17 8.610 1.685 -8.617 1.00 0.00 N ATOM 1252 CZ ARG B 17 9.641 1.097 -9.246 1.00 0.00 C ATOM 1253 NH1 ARG B 17 10.165 -0.038 -8.784 1.00 0.00 N ATOM 1254 NH2 ARG B 17 10.141 1.652 -10.336 1.00 0.00 N ATOM 0 H ARG B 17 3.635 1.848 -7.400 1.00 0.00 H new ATOM 0 HA ARG B 17 4.191 1.030 -4.636 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.615 1.483 -4.986 1.00 0.00 H new ATOM 0 HB3 ARG B 17 6.072 0.085 -5.893 1.00 0.00 H new ATOM 0 HG2 ARG B 17 5.975 1.525 -7.966 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.637 2.854 -7.035 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.669 1.539 -6.530 1.00 0.00 H new ATOM 0 HD3 ARG B 17 7.999 0.139 -7.345 1.00 0.00 H new ATOM 0 HE ARG B 17 8.203 2.513 -9.053 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.783 -0.471 -7.943 1.00 0.00 H new ATOM 0 HH12 ARG B 17 10.948 -0.474 -9.271 1.00 0.00 H new ATOM 0 HH21 ARG B 17 9.744 2.521 -10.694 1.00 0.00 H new ATOM 0 HH22 ARG B 17 10.924 1.212 -10.819 1.00 0.00 H new ATOM 1268 N PHE B 18 4.961 3.496 -4.128 1.00 0.00 N ATOM 1269 CA PHE B 18 5.120 4.925 -3.806 1.00 0.00 C ATOM 1270 C PHE B 18 6.608 5.179 -3.571 1.00 0.00 C ATOM 1271 O PHE B 18 7.296 4.394 -2.897 1.00 0.00 O ATOM 1272 CB PHE B 18 4.285 5.359 -2.572 1.00 0.00 C ATOM 1273 CG PHE B 18 4.402 6.838 -2.174 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.349 7.852 -3.134 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.543 7.209 -0.840 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.445 9.176 -2.770 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.637 8.532 -0.475 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.591 9.516 -1.439 1.00 0.00 C ATOM 0 H PHE B 18 5.320 2.873 -3.405 1.00 0.00 H new ATOM 0 HA PHE B 18 4.746 5.522 -4.638 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.236 5.137 -2.770 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.585 4.748 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.231 7.593 -4.176 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.579 6.445 -0.078 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.406 9.948 -3.524 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.747 8.799 0.566 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.669 10.555 -1.153 1.00 0.00 H new ATOM 1288 N LYS B 19 7.089 6.257 -4.178 1.00 0.00 N ATOM 1289 CA LYS B 19 8.504 6.601 -4.234 1.00 0.00 C ATOM 1290 C LYS B 19 8.879 7.668 -3.191 1.00 0.00 C ATOM 1291 O LYS B 19 8.038 8.119 -2.403 1.00 0.00 O ATOM 1292 CB LYS B 19 8.824 7.087 -5.675 1.00 0.00 C ATOM 1293 CG LYS B 19 8.523 6.027 -6.763 1.00 0.00 C ATOM 1294 CD LYS B 19 9.363 4.741 -6.557 1.00 0.00 C ATOM 1295 CE LYS B 19 10.864 4.966 -6.812 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.170 5.203 -8.246 1.00 0.00 N ATOM 0 H LYS B 19 6.492 6.932 -4.656 1.00 0.00 H new ATOM 0 HA LYS B 19 9.100 5.721 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.244 7.986 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.876 7.366 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.462 5.776 -6.743 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.733 6.446 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.222 4.379 -5.539 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.998 3.962 -7.226 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.205 5.819 -6.226 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.422 4.097 -6.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.098 4.794 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.440 4.755 -8.835 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.187 6.226 -8.433 1.00 0.00 H new ATOM 1310 N ALA B 20 10.166 8.045 -3.216 1.00 0.00 N ATOM 1311 CA ALA B 20 10.735 9.159 -2.438 1.00 0.00 C ATOM 1312 C ALA B 20 11.500 10.075 -3.415 1.00 0.00 C ATOM 1313 O ALA B 20 11.717 9.693 -4.574 1.00 0.00 O ATOM 1314 CB ALA B 20 11.628 8.650 -1.305 1.00 0.00 C ATOM 0 H ALA B 20 10.860 7.571 -3.794 1.00 0.00 H new ATOM 0 HA ALA B 20 9.940 9.727 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA B 20 12.032 9.498 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA B 20 11.042 8.023 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.448 8.066 -1.723 1.00 0.00 H new ATOM 1320 N SER B 21 11.830 11.295 -2.966 1.00 0.00 N ATOM 1321 CA SER B 21 12.420 12.359 -3.816 1.00 0.00 C ATOM 1322 C SER B 21 13.663 11.966 -4.655 1.00 0.00 C ATOM 1323 O SER B 21 13.838 12.482 -5.767 1.00 0.00 O ATOM 1324 CB SER B 21 12.743 13.578 -2.932 1.00 0.00 C ATOM 1325 OG SER B 21 11.601 13.989 -2.197 1.00 0.00 O ATOM 0 H SER B 21 11.697 11.581 -1.996 1.00 0.00 H new ATOM 0 HA SER B 21 11.660 12.580 -4.565 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.552 13.330 -2.245 1.00 0.00 H new ATOM 0 HB3 SER B 21 13.095 14.401 -3.555 1.00 0.00 H new ATOM 0 HG SER B 21 11.831 14.763 -1.642 1.00 0.00 H new ATOM 1331 N ASN B 22 14.519 11.063 -4.137 1.00 0.00 N ATOM 1332 CA ASN B 22 15.784 10.674 -4.825 1.00 0.00 C ATOM 1333 C ASN B 22 15.656 9.314 -5.545 1.00 0.00 C ATOM 1334 O ASN B 22 16.648 8.800 -6.080 1.00 0.00 O ATOM 1335 CB ASN B 22 16.963 10.635 -3.820 1.00 0.00 C ATOM 1336 CG ASN B 22 17.178 11.940 -3.064 1.00 0.00 C ATOM 1337 OD1 ASN B 22 17.906 12.826 -3.515 1.00 0.00 O ATOM 1338 ND2 ASN B 22 16.553 12.070 -1.904 1.00 0.00 N ATOM 0 H ASN B 22 14.366 10.586 -3.248 1.00 0.00 H new ATOM 0 HA ASN B 22 15.984 11.433 -5.582 1.00 0.00 H new ATOM 0 HB2 ASN B 22 16.787 9.835 -3.101 1.00 0.00 H new ATOM 0 HB3 ASN B 22 17.877 10.384 -4.358 1.00 0.00 H new ATOM 0 HD21 ASN B 22 16.667 12.923 -1.356 1.00 0.00 H new ATOM 0 HD22 ASN B 22 15.957 11.318 -1.559 1.00 0.00 H new ATOM 1345 N GLY B 23 14.434 8.743 -5.578 1.00 0.00 N ATOM 1346 CA GLY B 23 14.167 7.491 -6.302 1.00 0.00 C ATOM 1347 C GLY B 23 14.072 6.255 -5.424 1.00 0.00 C ATOM 1348 O GLY B 23 14.178 5.137 -5.936 1.00 0.00 O ATOM 0 H GLY B 23 13.617 9.134 -5.109 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.234 7.599 -6.855 1.00 0.00 H new ATOM 0 HA3 GLY B 23 14.957 7.337 -7.037 1.00 0.00 H new ATOM 1352 N GLU B 24 13.866 6.447 -4.116 1.00 0.00 N ATOM 1353 CA GLU B 24 13.672 5.329 -3.162 1.00 0.00 C ATOM 1354 C GLU B 24 12.233 4.807 -3.261 1.00 0.00 C ATOM 1355 O GLU B 24 11.353 5.539 -3.687 1.00 0.00 O ATOM 1356 CB GLU B 24 13.955 5.774 -1.698 1.00 0.00 C ATOM 1357 CG GLU B 24 15.401 6.218 -1.397 1.00 0.00 C ATOM 1358 CD GLU B 24 15.844 7.467 -2.161 1.00 0.00 C ATOM 1359 OE1 GLU B 24 15.193 8.529 -2.001 1.00 0.00 O ATOM 1360 OE2 GLU B 24 16.817 7.393 -2.946 1.00 0.00 O ATOM 0 H GLU B 24 13.828 7.370 -3.684 1.00 0.00 H new ATOM 0 HA GLU B 24 14.377 4.540 -3.424 1.00 0.00 H new ATOM 0 HB2 GLU B 24 13.284 6.597 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU B 24 13.703 4.948 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU B 24 15.496 6.407 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU B 24 16.079 5.399 -1.638 1.00 0.00 H new ATOM 1367 N THR B 25 12.008 3.545 -2.877 1.00 0.00 N ATOM 1368 CA THR B 25 10.656 2.969 -2.744 1.00 0.00 C ATOM 1369 C THR B 25 10.468 2.499 -1.297 1.00 0.00 C ATOM 1370 O THR B 25 11.362 1.879 -0.710 1.00 0.00 O ATOM 1371 CB THR B 25 10.419 1.782 -3.738 1.00 0.00 C ATOM 1372 OG1 THR B 25 10.620 2.229 -5.080 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.009 1.172 -3.613 1.00 0.00 C ATOM 0 H THR B 25 12.756 2.890 -2.649 1.00 0.00 H new ATOM 0 HA THR B 25 9.924 3.737 -2.994 1.00 0.00 H new ATOM 0 HB THR B 25 11.137 1.004 -3.480 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.790 1.457 -5.660 1.00 0.00 H new ATOM 0 HG21 THR B 25 8.902 0.354 -4.326 1.00 0.00 H new ATOM 0 HG22 THR B 25 8.865 0.793 -2.601 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.262 1.937 -3.824 1.00 0.00 H new ATOM 1381 N MET B 26 9.295 2.811 -0.742 1.00 0.00 N ATOM 1382 CA MET B 26 8.959 2.536 0.664 1.00 0.00 C ATOM 1383 C MET B 26 7.827 1.493 0.791 1.00 0.00 C ATOM 1384 O MET B 26 7.662 0.904 1.861 1.00 0.00 O ATOM 1385 CB MET B 26 8.680 3.868 1.416 1.00 0.00 C ATOM 1386 CG MET B 26 7.934 4.934 0.604 1.00 0.00 C ATOM 1387 SD MET B 26 6.299 4.409 0.099 1.00 0.00 S ATOM 1388 CE MET B 26 5.530 4.230 1.695 1.00 0.00 C ATOM 0 H MET B 26 8.542 3.266 -1.258 1.00 0.00 H new ATOM 0 HA MET B 26 9.817 2.074 1.153 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.101 3.646 2.312 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.631 4.286 1.747 1.00 0.00 H new ATOM 0 HG2 MET B 26 7.850 5.844 1.199 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.519 5.184 -0.281 1.00 0.00 H new ATOM 0 HE1 MET B 26 4.767 3.454 1.646 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.283 3.953 2.433 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.069 5.174 1.985 1.00 0.00 H new ATOM 1398 N PHE B 27 7.052 1.265 -0.295 1.00 0.00 N ATOM 1399 CA PHE B 27 6.214 0.044 -0.436 1.00 0.00 C ATOM 1400 C PHE B 27 5.750 -0.184 -1.878 1.00 0.00 C ATOM 1401 O PHE B 27 5.831 0.721 -2.709 1.00 0.00 O ATOM 1402 CB PHE B 27 5.010 -0.033 0.558 1.00 0.00 C ATOM 1403 CG PHE B 27 3.904 1.015 0.475 1.00 0.00 C ATOM 1404 CD1 PHE B 27 3.958 2.119 -0.371 1.00 0.00 C ATOM 1405 CD2 PHE B 27 2.813 0.901 1.328 1.00 0.00 C ATOM 1406 CE1 PHE B 27 2.963 3.066 -0.351 1.00 0.00 C ATOM 1407 CE2 PHE B 27 1.833 1.859 1.353 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.916 2.944 0.513 1.00 0.00 C ATOM 0 H PHE B 27 6.987 1.906 -1.086 1.00 0.00 H new ATOM 0 HA PHE B 27 6.882 -0.772 -0.160 1.00 0.00 H new ATOM 0 HB2 PHE B 27 4.545 -1.011 0.433 1.00 0.00 H new ATOM 0 HB3 PHE B 27 5.417 -0.000 1.569 1.00 0.00 H new ATOM 0 HD1 PHE B 27 4.790 2.232 -1.050 1.00 0.00 H new ATOM 0 HD2 PHE B 27 2.736 0.044 1.981 1.00 0.00 H new ATOM 0 HE1 PHE B 27 3.011 3.910 -1.023 1.00 0.00 H new ATOM 0 HE2 PHE B 27 0.998 1.762 2.031 1.00 0.00 H new ATOM 0 HZ PHE B 27 1.148 3.703 0.538 1.00 0.00 H new ATOM 1418 N SER B 28 5.229 -1.400 -2.105 1.00 0.00 N ATOM 1419 CA SER B 28 4.936 -1.930 -3.445 1.00 0.00 C ATOM 1420 C SER B 28 4.201 -3.281 -3.347 1.00 0.00 C ATOM 1421 O SER B 28 3.798 -3.700 -2.257 1.00 0.00 O ATOM 1422 CB SER B 28 6.276 -2.093 -4.230 1.00 0.00 C ATOM 1423 OG SER B 28 6.093 -2.572 -5.556 1.00 0.00 O ATOM 0 H SER B 28 4.997 -2.050 -1.354 1.00 0.00 H new ATOM 0 HA SER B 28 4.285 -1.234 -3.974 1.00 0.00 H new ATOM 0 HB2 SER B 28 6.788 -1.132 -4.265 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.926 -2.781 -3.688 1.00 0.00 H new ATOM 0 HG SER B 28 6.949 -2.893 -5.909 1.00 0.00 H new ATOM 1429 N SER B 29 3.946 -3.893 -4.523 1.00 0.00 N ATOM 1430 CA SER B 29 3.753 -5.366 -4.674 1.00 0.00 C ATOM 1431 C SER B 29 2.295 -5.817 -4.535 1.00 0.00 C ATOM 1432 O SER B 29 2.013 -7.023 -4.555 1.00 0.00 O ATOM 1433 CB SER B 29 4.682 -6.189 -3.718 1.00 0.00 C ATOM 1434 OG SER B 29 6.044 -5.814 -3.868 1.00 0.00 O ATOM 0 H SER B 29 3.866 -3.384 -5.403 1.00 0.00 H new ATOM 0 HA SER B 29 4.047 -5.580 -5.702 1.00 0.00 H new ATOM 0 HB2 SER B 29 4.372 -6.034 -2.685 1.00 0.00 H new ATOM 0 HB3 SER B 29 4.571 -7.253 -3.927 1.00 0.00 H new ATOM 0 HG SER B 29 6.311 -5.243 -3.118 1.00 0.00 H new ATOM 1440 N GLU B 30 1.374 -4.856 -4.463 1.00 0.00 N ATOM 1441 CA GLU B 30 -0.067 -5.130 -4.401 1.00 0.00 C ATOM 1442 C GLU B 30 -0.695 -4.972 -5.807 1.00 0.00 C ATOM 1443 O GLU B 30 -0.821 -5.957 -6.543 1.00 0.00 O ATOM 1444 CB GLU B 30 -0.766 -4.227 -3.315 1.00 0.00 C ATOM 1445 CG GLU B 30 0.125 -3.101 -2.696 1.00 0.00 C ATOM 1446 CD GLU B 30 0.486 -1.931 -3.631 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -0.362 -1.508 -4.427 1.00 0.00 O ATOM 1448 OE2 GLU B 30 1.605 -1.409 -3.533 1.00 0.00 O ATOM 0 H GLU B 30 1.604 -3.862 -4.446 1.00 0.00 H new ATOM 0 HA GLU B 30 -0.225 -6.162 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -1.645 -3.764 -3.764 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -1.121 -4.869 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -0.389 -2.697 -1.824 1.00 0.00 H new ATOM 0 HG3 GLU B 30 1.050 -3.553 -2.339 1.00 0.00 H new ATOM 1455 N GLY B 31 -1.065 -3.729 -6.167 1.00 0.00 N ATOM 1456 CA GLY B 31 -1.749 -3.416 -7.425 1.00 0.00 C ATOM 1457 C GLY B 31 -3.270 -3.442 -7.286 1.00 0.00 C ATOM 1458 O GLY B 31 -3.980 -3.033 -8.210 1.00 0.00 O ATOM 0 H GLY B 31 -0.894 -2.910 -5.584 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -1.436 -2.431 -7.770 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.445 -4.132 -8.188 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.735 -3.963 -6.118 1.00 0.00 N ATOM 1463 CA TYR B 32 -5.146 -4.032 -5.697 1.00 0.00 C ATOM 1464 C TYR B 32 -5.915 -5.129 -6.471 1.00 0.00 C ATOM 1465 O TYR B 32 -6.317 -6.135 -5.875 1.00 0.00 O ATOM 1466 CB TYR B 32 -5.840 -2.637 -5.780 1.00 0.00 C ATOM 1467 CG TYR B 32 -7.311 -2.589 -5.318 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -7.730 -3.182 -4.120 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -8.277 -1.944 -6.084 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -9.052 -3.126 -3.723 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -9.591 -1.888 -5.691 1.00 0.00 C ATOM 1472 CZ TYR B 32 -9.974 -2.478 -4.515 1.00 0.00 C ATOM 1473 OH TYR B 32 -11.285 -2.417 -4.128 1.00 0.00 O ATOM 0 H TYR B 32 -3.104 -4.360 -5.422 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.165 -4.322 -4.647 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -5.267 -1.931 -5.179 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -5.792 -2.289 -6.812 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -7.009 -3.691 -3.497 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -7.985 -1.475 -7.012 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -9.361 -3.588 -2.797 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -10.320 -1.381 -6.306 1.00 0.00 H new ATOM 0 HH TYR B 32 -11.801 -1.923 -4.799 1.00 0.00 H new ATOM 1483 N LYS B 33 -6.098 -4.945 -7.789 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.853 -5.896 -8.628 1.00 0.00 C ATOM 1485 C LYS B 33 -6.364 -5.831 -10.089 1.00 0.00 C ATOM 1486 O LYS B 33 -5.875 -6.821 -10.643 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.378 -5.591 -8.540 1.00 0.00 C ATOM 1488 CG LYS B 33 -9.270 -6.567 -9.341 1.00 0.00 C ATOM 1489 CD LYS B 33 -9.113 -8.033 -8.875 1.00 0.00 C ATOM 1490 CE LYS B 33 -9.911 -9.024 -9.728 1.00 0.00 C ATOM 1491 NZ LYS B 33 -9.790 -10.414 -9.210 1.00 0.00 N ATOM 0 H LYS B 33 -5.732 -4.142 -8.301 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.681 -6.907 -8.258 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.682 -5.616 -7.493 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.555 -4.577 -8.899 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.313 -6.267 -9.240 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -9.020 -6.497 -10.400 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.058 -8.306 -8.903 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.436 -8.114 -7.837 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -10.961 -8.730 -9.742 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -9.556 -8.987 -10.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -10.343 -11.058 -9.811 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -8.791 -10.703 -9.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -10.152 -10.454 -8.236 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.512 -4.649 -10.691 1.00 0.00 N ATOM 1506 CA ALA B 34 -6.136 -4.363 -12.095 1.00 0.00 C ATOM 1507 C ALA B 34 -5.482 -2.980 -12.151 1.00 0.00 C ATOM 1508 O ALA B 34 -5.283 -2.366 -11.098 1.00 0.00 O ATOM 1509 CB ALA B 34 -7.386 -4.424 -12.991 1.00 0.00 C ATOM 0 H ALA B 34 -6.905 -3.839 -10.212 1.00 0.00 H new ATOM 0 HA ALA B 34 -5.428 -5.107 -12.460 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -7.105 -4.213 -14.023 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.828 -5.419 -12.932 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -8.112 -3.684 -12.654 1.00 0.00 H new ATOM 1515 N LYS B 35 -5.155 -2.465 -13.359 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.566 -1.127 -13.514 1.00 0.00 C ATOM 1517 C LYS B 35 -5.595 -0.045 -13.145 1.00 0.00 C ATOM 1518 O LYS B 35 -5.292 0.845 -12.370 1.00 0.00 O ATOM 1519 CB LYS B 35 -4.036 -0.967 -14.976 1.00 0.00 C ATOM 1520 CG LYS B 35 -3.637 0.469 -15.425 1.00 0.00 C ATOM 1521 CD LYS B 35 -4.782 1.238 -16.144 1.00 0.00 C ATOM 1522 CE LYS B 35 -4.351 2.633 -16.611 1.00 0.00 C ATOM 1523 NZ LYS B 35 -3.200 2.576 -17.546 1.00 0.00 N ATOM 0 H LYS B 35 -5.292 -2.962 -14.239 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.723 -1.007 -12.833 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -3.167 -1.614 -15.095 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -4.803 -1.335 -15.657 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -3.321 1.039 -14.551 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -2.778 0.406 -16.093 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -5.120 0.659 -17.004 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -5.632 1.331 -15.469 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -5.191 3.127 -17.100 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -4.085 3.239 -15.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -2.898 3.542 -17.784 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -2.412 2.068 -17.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -3.482 2.078 -18.414 1.00 0.00 H new ATOM 1537 N ALA B 36 -6.812 -0.141 -13.724 1.00 0.00 N ATOM 1538 CA ALA B 36 -7.923 0.798 -13.440 1.00 0.00 C ATOM 1539 C ALA B 36 -8.191 0.877 -11.927 1.00 0.00 C ATOM 1540 O ALA B 36 -8.273 1.964 -11.346 1.00 0.00 O ATOM 1541 CB ALA B 36 -9.191 0.361 -14.191 1.00 0.00 C ATOM 0 H ALA B 36 -7.053 -0.867 -14.398 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.637 1.791 -13.787 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -10.000 1.058 -13.975 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -8.995 0.354 -15.263 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.478 -0.640 -13.868 1.00 0.00 H new ATOM 1547 N SER B 37 -8.259 -0.311 -11.311 1.00 0.00 N ATOM 1548 CA SER B 37 -8.466 -0.475 -9.869 1.00 0.00 C ATOM 1549 C SER B 37 -7.265 0.076 -9.063 1.00 0.00 C ATOM 1550 O SER B 37 -7.435 0.521 -7.926 1.00 0.00 O ATOM 1551 CB SER B 37 -8.685 -1.968 -9.564 1.00 0.00 C ATOM 1552 OG SER B 37 -9.648 -2.544 -10.435 1.00 0.00 O ATOM 0 H SER B 37 -8.170 -1.197 -11.809 1.00 0.00 H new ATOM 0 HA SER B 37 -9.345 0.095 -9.569 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.740 -2.502 -9.661 1.00 0.00 H new ATOM 0 HB3 SER B 37 -9.012 -2.085 -8.531 1.00 0.00 H new ATOM 0 HG SER B 37 -9.998 -3.368 -10.037 1.00 0.00 H new ATOM 1558 N ALA B 38 -6.060 0.040 -9.680 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.818 0.539 -9.064 1.00 0.00 C ATOM 1560 C ALA B 38 -4.870 2.066 -8.909 1.00 0.00 C ATOM 1561 O ALA B 38 -4.530 2.578 -7.845 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.583 0.108 -9.876 1.00 0.00 C ATOM 0 H ALA B 38 -5.927 -0.337 -10.619 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.730 0.097 -8.071 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.681 0.491 -9.398 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.537 -0.980 -9.919 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.655 0.508 -10.887 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.294 2.794 -9.976 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.535 4.253 -9.901 1.00 0.00 C ATOM 1570 C ILE B 39 -6.553 4.584 -8.789 1.00 0.00 C ATOM 1571 O ILE B 39 -6.291 5.472 -7.977 1.00 0.00 O ATOM 1572 CB ILE B 39 -6.030 4.878 -11.282 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.880 4.974 -12.346 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.660 6.281 -11.081 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.440 3.675 -12.973 1.00 0.00 C ATOM 0 H ILE B 39 -5.475 2.391 -10.896 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.571 4.705 -9.667 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.789 4.194 -11.661 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.205 5.645 -13.141 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -4.014 5.436 -11.873 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -6.985 6.675 -12.044 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.517 6.202 -10.412 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.921 6.953 -10.645 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.642 3.869 -13.690 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -4.075 3.002 -12.197 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.284 3.214 -13.485 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.699 3.858 -8.758 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.767 4.070 -7.743 1.00 0.00 C ATOM 1589 C HIS B 40 -8.214 3.913 -6.314 1.00 0.00 C ATOM 1590 O HIS B 40 -8.571 4.684 -5.400 1.00 0.00 O ATOM 1591 CB HIS B 40 -9.964 3.109 -7.962 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.811 3.418 -9.171 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -11.553 4.572 -9.285 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -11.063 2.706 -10.290 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -12.226 4.553 -10.413 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -11.947 3.431 -11.041 1.00 0.00 N ATOM 0 H HIS B 40 -7.909 3.117 -9.427 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.127 5.091 -7.867 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.583 2.092 -8.053 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.598 3.134 -7.076 1.00 0.00 H new ATOM 0 HD1 HIS B 40 -11.577 5.326 -8.599 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -10.645 1.743 -10.545 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -12.894 5.326 -10.765 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.326 2.924 -6.136 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.597 2.726 -4.889 1.00 0.00 C ATOM 1607 C ALA B 41 -5.785 3.988 -4.550 1.00 0.00 C ATOM 1608 O ALA B 41 -5.953 4.570 -3.491 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.702 1.475 -4.992 1.00 0.00 C ATOM 0 H ALA B 41 -7.097 2.241 -6.858 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.302 2.558 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.162 1.336 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.321 0.600 -5.187 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.989 1.604 -5.806 1.00 0.00 H new ATOM 1615 N ILE B 42 -4.970 4.449 -5.496 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.152 5.673 -5.334 1.00 0.00 C ATOM 1617 C ILE B 42 -5.031 6.922 -5.076 1.00 0.00 C ATOM 1618 O ILE B 42 -4.600 7.857 -4.392 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.240 5.887 -6.586 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.343 4.633 -6.792 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.375 7.169 -6.456 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.683 4.533 -8.135 1.00 0.00 C ATOM 0 H ILE B 42 -4.850 3.993 -6.400 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.519 5.535 -4.457 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.879 6.023 -7.459 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.570 4.629 -6.024 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.951 3.742 -6.637 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.756 7.282 -7.346 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.025 8.038 -6.354 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.736 7.089 -5.577 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.081 3.625 -8.178 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.445 4.500 -8.913 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -1.042 5.401 -8.291 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.285 6.900 -5.559 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.225 8.018 -5.357 1.00 0.00 C ATOM 1636 C GLU B 43 -7.594 8.136 -3.874 1.00 0.00 C ATOM 1637 O GLU B 43 -7.812 9.247 -3.387 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.496 7.881 -6.227 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.256 8.060 -7.739 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.561 8.077 -8.549 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.163 7.004 -8.752 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -10.009 9.163 -8.970 1.00 0.00 O ATOM 0 H GLU B 43 -6.672 6.121 -6.092 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.721 8.931 -5.675 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -8.935 6.898 -6.055 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.228 8.619 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.716 8.991 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.620 7.252 -8.100 1.00 0.00 H new ATOM 1649 N SER B 44 -7.620 6.983 -3.156 1.00 0.00 N ATOM 1650 CA SER B 44 -7.778 6.955 -1.683 1.00 0.00 C ATOM 1651 C SER B 44 -6.697 7.787 -0.991 1.00 0.00 C ATOM 1652 O SER B 44 -6.960 8.449 0.025 1.00 0.00 O ATOM 1653 CB SER B 44 -7.701 5.507 -1.161 1.00 0.00 C ATOM 1654 OG SER B 44 -8.863 4.766 -1.512 1.00 0.00 O ATOM 0 H SER B 44 -7.533 6.059 -3.578 1.00 0.00 H new ATOM 0 HA SER B 44 -8.755 7.381 -1.453 1.00 0.00 H new ATOM 0 HB2 SER B 44 -6.818 5.017 -1.571 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.586 5.515 -0.077 1.00 0.00 H new ATOM 0 HG SER B 44 -9.307 4.450 -0.698 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.474 7.742 -1.555 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.324 8.404 -0.955 1.00 0.00 C ATOM 1662 C ILE B 45 -4.488 9.927 -1.075 1.00 0.00 C ATOM 1663 O ILE B 45 -4.255 10.672 -0.116 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.935 7.969 -1.578 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.911 6.471 -1.997 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.825 8.218 -0.547 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -2.979 5.487 -0.857 1.00 0.00 C ATOM 0 H ILE B 45 -5.268 7.251 -2.425 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.301 8.094 0.090 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.778 8.564 -2.478 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.749 6.284 -2.668 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -2.000 6.283 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.864 7.921 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.797 9.277 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -2.024 7.633 0.351 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -2.956 4.471 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -2.127 5.638 -0.194 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.903 5.639 -0.300 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.926 10.359 -2.274 1.00 0.00 N ATOM 1680 CA LYS B 46 -5.182 11.786 -2.613 1.00 0.00 C ATOM 1681 C LYS B 46 -6.222 12.445 -1.684 1.00 0.00 C ATOM 1682 O LYS B 46 -6.195 13.663 -1.499 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.629 11.917 -4.116 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.513 11.935 -5.211 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.588 10.678 -5.262 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.363 10.780 -4.353 1.00 0.00 C ATOM 1687 NZ LYS B 46 -1.534 11.949 -4.713 1.00 0.00 N ATOM 0 H LYS B 46 -5.117 9.724 -3.049 1.00 0.00 H new ATOM 0 HA LYS B 46 -4.244 12.320 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.302 11.089 -4.338 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -6.209 12.835 -4.214 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -4.988 12.052 -6.185 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -3.890 12.815 -5.053 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -4.168 9.799 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -3.256 10.523 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.682 10.862 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.769 9.870 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -0.659 11.940 -4.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -1.297 11.908 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -2.062 12.823 -4.516 1.00 0.00 H new ATOM 1701 N ARG B 47 -7.121 11.625 -1.114 1.00 0.00 N ATOM 1702 CA ARG B 47 -8.248 12.103 -0.285 1.00 0.00 C ATOM 1703 C ARG B 47 -7.775 12.818 1.003 1.00 0.00 C ATOM 1704 O ARG B 47 -8.140 13.975 1.245 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.188 10.933 0.053 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.874 10.354 -1.201 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.860 9.253 -0.867 1.00 0.00 C ATOM 1708 NE ARG B 47 -11.576 8.763 -2.062 1.00 0.00 N ATOM 1709 CZ ARG B 47 -12.277 7.619 -2.123 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -12.275 6.753 -1.117 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -12.973 7.336 -3.207 1.00 0.00 N ATOM 0 H ARG B 47 -7.089 10.610 -1.213 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.792 12.844 -0.871 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.621 10.146 0.551 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.948 11.272 0.757 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -10.393 11.154 -1.729 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -9.115 9.964 -1.879 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -10.331 8.424 -0.398 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -11.582 9.623 -0.139 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.535 9.337 -2.904 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -11.733 6.950 -0.275 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -12.815 5.890 -1.186 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -12.977 7.985 -3.994 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -13.507 6.468 -3.258 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.930 12.124 1.787 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.520 12.586 3.145 1.00 0.00 C ATOM 1727 C ASN B 48 -5.466 11.639 3.777 1.00 0.00 C ATOM 1728 O ASN B 48 -5.229 11.683 4.986 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.773 12.731 4.085 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.495 13.432 5.429 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -6.686 14.351 5.513 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -8.144 12.981 6.489 1.00 0.00 N ATOM 0 H ASN B 48 -6.511 11.236 1.510 1.00 0.00 H new ATOM 0 HA ASN B 48 -6.056 13.566 3.033 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.545 13.287 3.554 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -8.176 11.738 4.286 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -7.977 13.398 7.405 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -8.811 12.216 6.391 1.00 0.00 H new ATOM 1739 N SER B 49 -4.809 10.793 2.963 1.00 0.00 N ATOM 1740 CA SER B 49 -3.890 9.760 3.484 1.00 0.00 C ATOM 1741 C SER B 49 -2.656 10.364 4.157 1.00 0.00 C ATOM 1742 O SER B 49 -2.118 9.763 5.075 1.00 0.00 O ATOM 1743 CB SER B 49 -3.451 8.824 2.380 1.00 0.00 C ATOM 1744 OG SER B 49 -2.677 7.743 2.864 1.00 0.00 O ATOM 0 H SER B 49 -4.895 10.802 1.947 1.00 0.00 H new ATOM 0 HA SER B 49 -4.447 9.203 4.237 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.330 8.436 1.866 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.871 9.381 1.644 1.00 0.00 H new ATOM 0 HG SER B 49 -3.271 7.015 3.143 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.197 11.534 3.679 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.146 12.309 4.357 1.00 0.00 C ATOM 1752 C ALA B 50 -1.563 12.704 5.797 1.00 0.00 C ATOM 1753 O ALA B 50 -0.726 12.744 6.705 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.765 13.537 3.523 1.00 0.00 C ATOM 0 H ALA B 50 -2.541 11.965 2.821 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.265 11.674 4.448 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.013 14.100 4.038 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.396 13.215 2.549 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.641 14.171 3.387 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.868 12.953 5.994 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.425 13.259 7.320 1.00 0.00 C ATOM 1762 C GLY B 51 -4.022 12.048 8.042 1.00 0.00 C ATOM 1763 O GLY B 51 -4.584 12.207 9.130 1.00 0.00 O ATOM 0 H GLY B 51 -3.561 12.948 5.245 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.640 13.688 7.942 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.197 14.021 7.211 1.00 0.00 H new ATOM 1767 N ALA B 52 -3.915 10.839 7.435 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.434 9.575 8.028 1.00 0.00 C ATOM 1769 C ALA B 52 -3.677 9.203 9.312 1.00 0.00 C ATOM 1770 O ALA B 52 -2.599 9.733 9.576 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.328 8.434 7.004 1.00 0.00 C ATOM 0 H ALA B 52 -3.470 10.710 6.526 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.480 9.731 8.291 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -4.709 7.513 7.445 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -4.915 8.683 6.120 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.285 8.296 6.720 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.236 8.284 10.104 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.572 7.799 11.329 1.00 0.00 C ATOM 1779 C ASP B 53 -2.670 6.593 10.990 1.00 0.00 C ATOM 1780 O ASP B 53 -2.852 5.941 9.954 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.629 7.439 12.407 1.00 0.00 C ATOM 1782 CG ASP B 53 -4.023 7.186 13.801 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -3.825 8.155 14.556 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -3.729 6.025 14.147 1.00 0.00 O ATOM 0 H ASP B 53 -5.145 7.858 9.924 1.00 0.00 H new ATOM 0 HA ASP B 53 -2.942 8.588 11.739 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.356 8.249 12.477 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.173 6.549 12.089 1.00 0.00 H new ATOM 1789 N THR B 54 -1.670 6.343 11.832 1.00 0.00 N ATOM 1790 CA THR B 54 -0.802 5.165 11.726 1.00 0.00 C ATOM 1791 C THR B 54 -1.102 4.229 12.910 1.00 0.00 C ATOM 1792 O THR B 54 -0.647 4.467 14.028 1.00 0.00 O ATOM 1793 CB THR B 54 0.702 5.603 11.705 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.897 6.562 10.656 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.665 4.423 11.482 1.00 0.00 C ATOM 0 H THR B 54 -1.435 6.954 12.614 1.00 0.00 H new ATOM 0 HA THR B 54 -0.997 4.632 10.795 1.00 0.00 H new ATOM 0 HB THR B 54 0.927 6.031 12.682 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.836 6.841 10.639 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.692 4.788 11.477 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.542 3.696 12.285 1.00 0.00 H new ATOM 0 HG23 THR B 54 1.444 3.949 10.526 1.00 0.00 H new ATOM 1803 N VAL B 55 -1.935 3.203 12.660 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.358 2.216 13.674 1.00 0.00 C ATOM 1805 C VAL B 55 -1.473 0.972 13.574 1.00 0.00 C ATOM 1806 O VAL B 55 -1.336 0.414 12.484 1.00 0.00 O ATOM 1807 CB VAL B 55 -3.863 1.789 13.469 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.347 0.826 14.581 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.779 3.021 13.368 1.00 0.00 C ATOM 0 H VAL B 55 -2.339 3.033 11.739 1.00 0.00 H new ATOM 0 HA VAL B 55 -2.259 2.679 14.656 1.00 0.00 H new ATOM 0 HB VAL B 55 -3.918 1.247 12.525 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.388 0.557 14.402 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.733 -0.075 14.575 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -4.261 1.317 15.550 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.810 2.697 13.227 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.704 3.606 14.285 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.472 3.634 12.521 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.882 0.545 14.707 1.00 0.00 N ATOM 1820 CA ASP B 56 -0.045 -0.669 14.765 1.00 0.00 C ATOM 1821 C ASP B 56 -0.769 -1.780 15.548 1.00 0.00 C ATOM 1822 O ASP B 56 -0.979 -1.674 16.762 1.00 0.00 O ATOM 1823 CB ASP B 56 1.326 -0.357 15.401 1.00 0.00 C ATOM 1824 CG ASP B 56 2.319 -1.516 15.232 1.00 0.00 C ATOM 1825 OD1 ASP B 56 2.298 -2.467 16.042 1.00 0.00 O ATOM 1826 OD2 ASP B 56 3.115 -1.486 14.282 1.00 0.00 O ATOM 0 H ASP B 56 -0.970 1.028 15.601 1.00 0.00 H new ATOM 0 HA ASP B 56 0.127 -1.019 13.747 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.740 0.543 14.946 1.00 0.00 H new ATOM 0 HB3 ASP B 56 1.193 -0.146 16.462 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.166 -2.828 14.818 1.00 0.00 N ATOM 1832 CA LEU B 57 -1.843 -4.023 15.357 1.00 0.00 C ATOM 1833 C LEU B 57 -0.848 -5.149 15.702 1.00 0.00 C ATOM 1834 O LEU B 57 -1.220 -6.071 16.408 1.00 0.00 O ATOM 1835 CB LEU B 57 -2.901 -4.578 14.347 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.059 -3.621 13.900 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -4.782 -2.973 15.098 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -3.573 -2.565 12.899 1.00 0.00 C ATOM 0 H LEU B 57 -1.024 -2.874 13.809 1.00 0.00 H new ATOM 0 HA LEU B 57 -2.341 -3.703 16.272 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.371 -4.903 13.452 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.353 -5.466 14.790 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.793 -4.244 13.388 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -5.575 -2.320 14.734 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -5.213 -3.752 15.727 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.069 -2.389 15.681 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.406 -1.922 12.615 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -2.790 -1.962 13.358 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -3.177 -3.059 12.012 1.00 0.00 H new ATOM 1850 N THR B 58 0.416 -5.068 15.229 1.00 0.00 N ATOM 1851 CA THR B 58 1.412 -6.161 15.431 1.00 0.00 C ATOM 1852 C THR B 58 2.189 -5.978 16.753 1.00 0.00 C ATOM 1853 O THR B 58 3.103 -6.748 17.068 1.00 0.00 O ATOM 1854 CB THR B 58 2.374 -6.315 14.197 1.00 0.00 C ATOM 1855 OG1 THR B 58 3.374 -7.321 14.413 1.00 0.00 O ATOM 1856 CG2 THR B 58 3.056 -5.010 13.792 1.00 0.00 C ATOM 0 H THR B 58 0.775 -4.268 14.708 1.00 0.00 H new ATOM 0 HA THR B 58 0.856 -7.095 15.511 1.00 0.00 H new ATOM 0 HB THR B 58 1.724 -6.622 13.378 1.00 0.00 H new ATOM 0 HG1 THR B 58 3.522 -7.434 15.375 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.705 -5.189 12.935 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.300 -4.271 13.526 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.651 -4.637 14.625 1.00 0.00 H new ATOM 1864 N THR B 59 1.782 -4.975 17.554 1.00 0.00 N ATOM 1865 CA THR B 59 2.205 -4.838 18.960 1.00 0.00 C ATOM 1866 C THR B 59 1.442 -5.867 19.818 1.00 0.00 C ATOM 1867 O THR B 59 1.949 -6.345 20.839 1.00 0.00 O ATOM 1868 CB THR B 59 1.956 -3.375 19.489 1.00 0.00 C ATOM 1869 OG1 THR B 59 0.788 -2.824 18.853 1.00 0.00 O ATOM 1870 CG2 THR B 59 3.156 -2.441 19.244 1.00 0.00 C ATOM 0 H THR B 59 1.150 -4.237 17.244 1.00 0.00 H new ATOM 0 HA THR B 59 3.276 -5.030 19.030 1.00 0.00 H new ATOM 0 HB THR B 59 1.811 -3.445 20.567 1.00 0.00 H new ATOM 0 HG1 THR B 59 0.633 -1.915 19.184 1.00 0.00 H new ATOM 0 HG21 THR B 59 2.928 -1.447 19.629 1.00 0.00 H new ATOM 0 HG22 THR B 59 4.034 -2.835 19.755 1.00 0.00 H new ATOM 0 HG23 THR B 59 3.356 -2.379 18.174 1.00 0.00 H new ATOM 1878 N MET B 60 0.213 -6.188 19.374 1.00 0.00 N ATOM 1879 CA MET B 60 -0.613 -7.248 19.957 1.00 0.00 C ATOM 1880 C MET B 60 -1.659 -7.653 18.902 1.00 0.00 C ATOM 1881 O MET B 60 -2.670 -6.954 18.736 1.00 0.00 O ATOM 1882 CB MET B 60 -1.290 -6.779 21.283 1.00 0.00 C ATOM 1883 CG MET B 60 -1.954 -7.898 22.116 1.00 0.00 C ATOM 1884 SD MET B 60 -0.849 -8.686 23.329 1.00 0.00 S ATOM 1885 CE MET B 60 0.344 -9.587 22.335 1.00 0.00 C ATOM 0 H MET B 60 -0.234 -5.710 18.592 1.00 0.00 H new ATOM 0 HA MET B 60 0.006 -8.106 20.220 1.00 0.00 H new ATOM 0 HB2 MET B 60 -0.539 -6.286 21.900 1.00 0.00 H new ATOM 0 HB3 MET B 60 -2.045 -6.031 21.041 1.00 0.00 H new ATOM 0 HG2 MET B 60 -2.813 -7.482 22.642 1.00 0.00 H new ATOM 0 HG3 MET B 60 -2.334 -8.662 21.438 1.00 0.00 H new ATOM 0 HE1 MET B 60 0.777 -10.392 22.928 1.00 0.00 H new ATOM 0 HE2 MET B 60 -0.154 -10.007 21.461 1.00 0.00 H new ATOM 0 HE3 MET B 60 1.134 -8.909 22.012 1.00 0.00 H new ATOM 1895 N THR B 61 -1.372 -8.752 18.162 1.00 0.00 N ATOM 1896 CA THR B 61 -2.128 -9.165 16.956 1.00 0.00 C ATOM 1897 C THR B 61 -3.642 -9.318 17.237 1.00 0.00 C ATOM 1898 O THR B 61 -4.049 -9.772 18.315 1.00 0.00 O ATOM 1899 CB THR B 61 -1.547 -10.486 16.366 1.00 0.00 C ATOM 1900 OG1 THR B 61 -0.112 -10.432 16.351 1.00 0.00 O ATOM 1901 CG2 THR B 61 -2.043 -10.785 14.931 1.00 0.00 C ATOM 0 H THR B 61 -0.602 -9.382 18.388 1.00 0.00 H new ATOM 0 HA THR B 61 -2.014 -8.369 16.220 1.00 0.00 H new ATOM 0 HB THR B 61 -1.902 -11.287 17.014 1.00 0.00 H new ATOM 0 HG1 THR B 61 0.243 -11.267 15.980 1.00 0.00 H new ATOM 0 HG21 THR B 61 -1.601 -11.718 14.580 1.00 0.00 H new ATOM 0 HG22 THR B 61 -3.129 -10.876 14.933 1.00 0.00 H new ATOM 0 HG23 THR B 61 -1.749 -9.972 14.267 1.00 0.00 H new ATOM 1909 N ALA B 62 -4.452 -8.943 16.247 1.00 0.00 N ATOM 1910 CA ALA B 62 -5.913 -8.831 16.367 1.00 0.00 C ATOM 1911 C ALA B 62 -6.580 -9.407 15.097 1.00 0.00 C ATOM 1912 O ALA B 62 -7.171 -10.508 15.161 1.00 0.00 O ATOM 1913 CB ALA B 62 -6.300 -7.357 16.608 1.00 0.00 C ATOM 1914 OXT ALA B 62 -6.443 -8.793 14.019 1.00 0.00 O ATOM 0 H ALA B 62 -4.107 -8.703 15.318 1.00 0.00 H new ATOM 0 HA ALA B 62 -6.269 -9.409 17.220 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -7.383 -7.275 16.697 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -5.833 -7.004 17.527 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -5.958 -6.749 15.770 1.00 0.00 H new TER 1920 ALA B 62