USER MOD reduce.3.24.130724 H: found=0, std=0, add=1312, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1330 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 143 TYR OH : rot 6:sc= 0.123 USER MOD Set 1.2: A 149 ASN : amide:sc= 0 X(o=1,f=0.83) USER MOD Set 1.3: A 152 ASN :FLIP amide:sc= 0.889 F(o=-0.1,f=1) USER MOD Set 2.1: A 59 SER OG : rot 78:sc= 1.42 USER MOD Set 2.2: A 71 TYR OH : rot 28:sc= 0.175 USER MOD Set 3.1: A 27 TYR OH : rot -92:sc= -0.778 USER MOD Set 3.2: A 140 GLN : amide:sc= -2.3 K(o=-3.1,f=-6.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= -0.446 (180deg=-1.36!) USER MOD Single : A 2 ASN : amide:sc= 1.09 K(o=1.1,f=-0.37) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -85:sc= 1.19 USER MOD Single : A 13 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.54) USER MOD Single : A 16 GLN : amide:sc=-0.00185 K(o=-0.0018,f=-1.3) USER MOD Single : A 17 THR OG1 : rot 71:sc= 0.642 USER MOD Single : A 19 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.098) USER MOD Single : A 20 GLN : amide:sc= -0.0334 X(o=-0.033,f=-0.25) USER MOD Single : A 23 HIS : no HD1:sc= -0.0433 X(o=-0.043,f=-0.41) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 170:sc=-0.000591 USER MOD Single : A 34 HIS :FLIP no HE2:sc= -0.34 F(o=-2,f=-0.34) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.706 K(o=-0.71,f=-8.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.64) USER MOD Single : A 73 MET CE :methyl 169:sc= -0.048 (180deg=-0.0725) USER MOD Single : A 76 LYS NZ :NH3+ -155:sc= 0.0043 (180deg=0) USER MOD Single : A 78 SER OG : rot -40:sc= 0.00829 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -146:sc= 1.24 (180deg=0.393) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -70:sc= 1.16 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.6!) USER MOD Single : A 103 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.08) USER MOD Single : A 109 THR OG1 : rot 41:sc= 0.0781 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc= -0.912 K(o=-0.91,f=-1.5!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 13:sc= 0.319 USER MOD Single : A 141 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 147 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= -0.079 K(o=-0.079,f=-1.9) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 MET CE :methyl 163:sc= 0 (180deg=-0.137) USER MOD Single : A 161 GLN : amide:sc= -1.37 K(o=-1.4,f=-8.5!) USER MOD Single : A 165 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.42) USER MOD Single : A 166 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 167 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 168 HIS :FLIP no HD1:sc= -0.0926 F(o=-0.74,f=-0.093) USER MOD Single : A 169 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 170 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.392 -25.697 6.034 1.00 0.00 N ATOM 2 CA MET A 1 -21.721 -25.191 5.596 1.00 0.00 C ATOM 3 C MET A 1 -22.204 -24.051 6.488 1.00 0.00 C ATOM 4 O MET A 1 -22.564 -22.979 6.001 1.00 0.00 O ATOM 5 CB MET A 1 -22.722 -26.349 5.628 1.00 0.00 C ATOM 6 CG MET A 1 -22.670 -27.169 6.907 1.00 0.00 C ATOM 7 SD MET A 1 -23.432 -28.793 6.722 1.00 0.00 S ATOM 8 CE MET A 1 -25.091 -28.458 7.309 1.00 0.00 C ATOM 0 H1 MET A 1 -20.235 -26.646 5.639 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.647 -25.054 5.697 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.364 -25.745 7.073 1.00 0.00 H new ATOM 0 HA MET A 1 -21.634 -24.798 4.583 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.729 -25.950 5.504 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.532 -27.005 4.779 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.631 -27.292 7.213 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.175 -26.624 7.704 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.687 -29.369 7.256 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.049 -28.112 8.342 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.549 -27.689 6.687 1.00 0.00 H new ATOM 20 N ASN A 2 -22.209 -24.287 7.797 1.00 0.00 N ATOM 21 CA ASN A 2 -22.646 -23.277 8.754 1.00 0.00 C ATOM 22 C ASN A 2 -22.003 -23.507 10.118 1.00 0.00 C ATOM 23 O ASN A 2 -21.334 -22.625 10.656 1.00 0.00 O ATOM 24 CB ASN A 2 -24.172 -23.297 8.882 1.00 0.00 C ATOM 25 CG ASN A 2 -24.814 -22.031 8.349 1.00 0.00 C ATOM 26 OD1 ASN A 2 -25.490 -21.308 9.080 1.00 0.00 O ATOM 27 ND2 ASN A 2 -24.605 -21.757 7.066 1.00 0.00 N ATOM 0 H ASN A 2 -21.915 -25.168 8.218 1.00 0.00 H new ATOM 0 HA ASN A 2 -22.332 -22.300 8.387 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -24.568 -24.157 8.342 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -24.444 -23.426 9.930 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -25.012 -20.919 6.651 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -24.038 -22.385 6.496 1.00 0.00 H new ATOM 34 N ALA A 3 -22.211 -24.697 10.673 1.00 0.00 N ATOM 35 CA ALA A 3 -21.652 -25.044 11.974 1.00 0.00 C ATOM 36 C ALA A 3 -20.133 -24.899 11.983 1.00 0.00 C ATOM 37 O ALA A 3 -19.525 -24.714 13.038 1.00 0.00 O ATOM 38 CB ALA A 3 -22.050 -26.461 12.357 1.00 0.00 C ATOM 0 H ALA A 3 -22.763 -25.438 10.241 1.00 0.00 H new ATOM 0 HA ALA A 3 -22.058 -24.350 12.710 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -21.626 -26.707 13.330 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -23.137 -26.533 12.406 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -21.673 -27.159 11.610 1.00 0.00 H new ATOM 44 N ASP A 4 -19.524 -24.983 10.804 1.00 0.00 N ATOM 45 CA ASP A 4 -18.076 -24.859 10.681 1.00 0.00 C ATOM 46 C ASP A 4 -17.648 -23.400 10.785 1.00 0.00 C ATOM 47 O ASP A 4 -16.844 -23.037 11.643 1.00 0.00 O ATOM 48 CB ASP A 4 -17.603 -25.449 9.352 1.00 0.00 C ATOM 49 CG ASP A 4 -17.930 -26.924 9.225 1.00 0.00 C ATOM 50 OD1 ASP A 4 -18.185 -27.379 8.089 1.00 0.00 O ATOM 51 OD2 ASP A 4 -17.931 -27.623 10.259 1.00 0.00 O ATOM 0 H ASP A 4 -20.011 -25.136 9.921 1.00 0.00 H new ATOM 0 HA ASP A 4 -17.617 -25.414 11.499 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -18.068 -24.905 8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -16.526 -25.309 9.258 1.00 0.00 H new ATOM 57 N GLU A 5 -18.197 -22.568 9.907 1.00 0.00 N ATOM 58 CA GLU A 5 -17.879 -21.145 9.899 1.00 0.00 C ATOM 59 C GLU A 5 -18.479 -20.450 11.117 1.00 0.00 C ATOM 60 O GLU A 5 -17.976 -19.420 11.567 1.00 0.00 O ATOM 61 CB GLU A 5 -18.396 -20.494 8.615 1.00 0.00 C ATOM 62 CG GLU A 5 -17.395 -19.554 7.963 1.00 0.00 C ATOM 63 CD GLU A 5 -17.756 -19.221 6.530 1.00 0.00 C ATOM 64 OE1 GLU A 5 -17.647 -20.117 5.666 1.00 0.00 O ATOM 65 OE2 GLU A 5 -18.148 -18.064 6.269 1.00 0.00 O ATOM 0 H GLU A 5 -18.865 -22.855 9.191 1.00 0.00 H new ATOM 0 HA GLU A 5 -16.795 -21.037 9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -18.664 -21.275 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -19.308 -19.941 8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -17.337 -18.633 8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.405 -20.009 7.988 1.00 0.00 H new ATOM 73 N TRP A 6 -19.557 -21.020 11.649 1.00 0.00 N ATOM 74 CA TRP A 6 -20.224 -20.453 12.814 1.00 0.00 C ATOM 75 C TRP A 6 -19.396 -20.673 14.077 1.00 0.00 C ATOM 76 O TRP A 6 -19.421 -19.856 14.997 1.00 0.00 O ATOM 77 CB TRP A 6 -21.612 -21.074 12.986 1.00 0.00 C ATOM 78 CG TRP A 6 -22.467 -20.353 13.982 1.00 0.00 C ATOM 79 CD1 TRP A 6 -22.704 -19.009 14.039 1.00 0.00 C ATOM 80 CD2 TRP A 6 -23.198 -20.936 15.066 1.00 0.00 C ATOM 81 NE1 TRP A 6 -23.538 -18.722 15.092 1.00 0.00 N ATOM 82 CE2 TRP A 6 -23.855 -19.888 15.738 1.00 0.00 C ATOM 83 CE3 TRP A 6 -23.363 -22.243 15.534 1.00 0.00 C ATOM 84 CZ2 TRP A 6 -24.663 -20.107 16.852 1.00 0.00 C ATOM 85 CZ3 TRP A 6 -24.165 -22.459 16.640 1.00 0.00 C ATOM 86 CH2 TRP A 6 -24.806 -21.396 17.287 1.00 0.00 C ATOM 0 H TRP A 6 -19.986 -21.873 11.291 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.331 -19.380 12.653 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -22.120 -21.083 12.022 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -21.501 -22.113 13.298 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -22.295 -18.279 13.356 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -23.868 -17.792 15.351 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -22.873 -23.069 15.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -25.158 -19.289 17.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -24.299 -23.465 17.011 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -25.426 -21.598 18.148 1.00 0.00 H new ATOM 97 N MET A 7 -18.665 -21.782 14.114 1.00 0.00 N ATOM 98 CA MET A 7 -17.830 -22.109 15.264 1.00 0.00 C ATOM 99 C MET A 7 -16.537 -21.298 15.247 1.00 0.00 C ATOM 100 O MET A 7 -16.151 -20.707 16.255 1.00 0.00 O ATOM 101 CB MET A 7 -17.509 -23.606 15.279 1.00 0.00 C ATOM 102 CG MET A 7 -18.184 -24.361 16.415 1.00 0.00 C ATOM 103 SD MET A 7 -19.403 -25.557 15.835 1.00 0.00 S ATOM 104 CE MET A 7 -18.733 -27.077 16.505 1.00 0.00 C ATOM 0 H MET A 7 -18.634 -22.469 13.361 1.00 0.00 H new ATOM 0 HA MET A 7 -18.384 -21.855 16.168 1.00 0.00 H new ATOM 0 HB2 MET A 7 -17.816 -24.045 14.329 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.430 -23.737 15.357 1.00 0.00 H new ATOM 0 HG2 MET A 7 -17.425 -24.879 17.002 1.00 0.00 H new ATOM 0 HG3 MET A 7 -18.670 -23.648 17.080 1.00 0.00 H new ATOM 0 HE1 MET A 7 -19.378 -27.911 16.230 1.00 0.00 H new ATOM 0 HE2 MET A 7 -17.734 -27.243 16.102 1.00 0.00 H new ATOM 0 HE3 MET A 7 -18.678 -27.003 17.591 1.00 0.00 H new ATOM 114 N THR A 8 -15.874 -21.275 14.095 1.00 0.00 N ATOM 115 CA THR A 8 -14.624 -20.536 13.947 1.00 0.00 C ATOM 116 C THR A 8 -14.829 -19.054 14.242 1.00 0.00 C ATOM 117 O THR A 8 -13.998 -18.419 14.892 1.00 0.00 O ATOM 118 CB THR A 8 -14.067 -20.714 12.534 1.00 0.00 C ATOM 119 OG1 THR A 8 -12.836 -20.029 12.391 1.00 0.00 O ATOM 120 CG2 THR A 8 -15.001 -20.212 11.455 1.00 0.00 C ATOM 0 H THR A 8 -16.181 -21.759 13.251 1.00 0.00 H new ATOM 0 HA THR A 8 -13.908 -20.935 14.666 1.00 0.00 H new ATOM 0 HB THR A 8 -13.938 -21.789 12.407 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.495 -20.156 11.481 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.545 -20.368 10.477 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.943 -20.757 11.507 1.00 0.00 H new ATOM 0 HG23 THR A 8 -15.188 -19.148 11.602 1.00 0.00 H new ATOM 128 N THR A 9 -15.941 -18.508 13.760 1.00 0.00 N ATOM 129 CA THR A 9 -16.255 -17.100 13.971 1.00 0.00 C ATOM 130 C THR A 9 -16.403 -16.793 15.458 1.00 0.00 C ATOM 131 O THR A 9 -15.888 -15.788 15.949 1.00 0.00 O ATOM 132 CB THR A 9 -17.540 -16.726 13.231 1.00 0.00 C ATOM 133 OG1 THR A 9 -18.570 -17.657 13.512 1.00 0.00 O ATOM 134 CG2 THR A 9 -17.370 -16.669 11.729 1.00 0.00 C ATOM 0 H THR A 9 -16.639 -19.020 13.221 1.00 0.00 H new ATOM 0 HA THR A 9 -15.431 -16.506 13.576 1.00 0.00 H new ATOM 0 HB THR A 9 -17.800 -15.730 13.589 1.00 0.00 H new ATOM 0 HG1 THR A 9 -18.498 -18.419 12.900 1.00 0.00 H new ATOM 0 HG21 THR A 9 -18.319 -16.398 11.265 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.617 -15.923 11.476 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.052 -17.645 11.362 1.00 0.00 H new ATOM 142 N PHE A 10 -17.110 -17.664 16.170 1.00 0.00 N ATOM 143 CA PHE A 10 -17.326 -17.485 17.601 1.00 0.00 C ATOM 144 C PHE A 10 -16.028 -17.685 18.377 1.00 0.00 C ATOM 145 O PHE A 10 -15.732 -16.943 19.314 1.00 0.00 O ATOM 146 CB PHE A 10 -18.391 -18.463 18.104 1.00 0.00 C ATOM 147 CG PHE A 10 -19.371 -17.844 19.059 1.00 0.00 C ATOM 148 CD1 PHE A 10 -19.085 -17.769 20.413 1.00 0.00 C ATOM 149 CD2 PHE A 10 -20.578 -17.339 18.604 1.00 0.00 C ATOM 150 CE1 PHE A 10 -19.985 -17.201 21.294 1.00 0.00 C ATOM 151 CE2 PHE A 10 -21.481 -16.769 19.481 1.00 0.00 C ATOM 152 CZ PHE A 10 -21.184 -16.700 20.828 1.00 0.00 C ATOM 0 H PHE A 10 -17.543 -18.501 15.780 1.00 0.00 H new ATOM 0 HA PHE A 10 -17.673 -16.465 17.766 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -18.934 -18.867 17.250 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -17.899 -19.303 18.595 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -18.148 -18.159 20.783 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -20.816 -17.391 17.552 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -19.751 -17.149 22.347 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -22.418 -16.378 19.113 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.888 -16.255 21.515 1.00 0.00 H new ATOM 162 N ARG A 11 -15.258 -18.692 17.980 1.00 0.00 N ATOM 163 CA ARG A 11 -13.990 -18.989 18.639 1.00 0.00 C ATOM 164 C ARG A 11 -12.941 -17.936 18.301 1.00 0.00 C ATOM 165 O ARG A 11 -12.068 -17.632 19.114 1.00 0.00 O ATOM 166 CB ARG A 11 -13.490 -20.375 18.225 1.00 0.00 C ATOM 167 CG ARG A 11 -12.827 -21.145 19.356 1.00 0.00 C ATOM 168 CD ARG A 11 -13.747 -22.219 19.915 1.00 0.00 C ATOM 169 NE ARG A 11 -13.616 -22.351 21.365 1.00 0.00 N ATOM 170 CZ ARG A 11 -14.416 -23.107 22.115 1.00 0.00 C ATOM 171 NH1 ARG A 11 -15.402 -23.797 21.557 1.00 0.00 N ATOM 172 NH2 ARG A 11 -14.228 -23.171 23.425 1.00 0.00 N ATOM 0 H ARG A 11 -15.488 -19.316 17.207 1.00 0.00 H new ATOM 0 HA ARG A 11 -14.157 -18.976 19.716 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.330 -20.956 17.844 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.780 -20.266 17.405 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.907 -21.605 18.994 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.547 -20.455 20.152 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.780 -21.978 19.665 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.519 -23.174 19.442 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.869 -21.834 21.829 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.550 -23.750 20.549 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.012 -24.374 22.136 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.471 -22.642 23.858 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.840 -23.750 24.000 1.00 0.00 H new ATOM 186 N GLU A 12 -13.034 -17.381 17.097 1.00 0.00 N ATOM 187 CA GLU A 12 -12.093 -16.359 16.651 1.00 0.00 C ATOM 188 C GLU A 12 -12.393 -15.016 17.308 1.00 0.00 C ATOM 189 O GLU A 12 -11.481 -14.270 17.664 1.00 0.00 O ATOM 190 CB GLU A 12 -12.144 -16.218 15.129 1.00 0.00 C ATOM 191 CG GLU A 12 -11.289 -17.238 14.394 1.00 0.00 C ATOM 192 CD GLU A 12 -10.852 -16.753 13.025 1.00 0.00 C ATOM 193 OE1 GLU A 12 -11.381 -17.267 12.017 1.00 0.00 O ATOM 194 OE2 GLU A 12 -9.981 -15.860 12.962 1.00 0.00 O ATOM 0 H GLU A 12 -13.751 -17.621 16.413 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.091 -16.671 16.947 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.178 -16.317 14.798 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.816 -15.216 14.854 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.408 -17.467 14.993 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.850 -18.166 14.285 1.00 0.00 H new ATOM 202 N ASN A 13 -13.678 -14.714 17.464 1.00 0.00 N ATOM 203 CA ASN A 13 -14.100 -13.460 18.078 1.00 0.00 C ATOM 204 C ASN A 13 -13.602 -13.363 19.516 1.00 0.00 C ATOM 205 O ASN A 13 -12.902 -12.416 19.879 1.00 0.00 O ATOM 206 CB ASN A 13 -15.624 -13.339 18.045 1.00 0.00 C ATOM 207 CG ASN A 13 -16.085 -11.916 17.797 1.00 0.00 C ATOM 208 OD1 ASN A 13 -15.546 -11.217 16.940 1.00 0.00 O ATOM 209 ND2 ASN A 13 -17.090 -11.481 18.550 1.00 0.00 N ATOM 0 H ASN A 13 -14.445 -15.320 17.174 1.00 0.00 H new ATOM 0 HA ASN A 13 -13.665 -12.641 17.506 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.021 -13.988 17.264 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -16.034 -13.691 18.991 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.444 -10.532 18.429 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -17.507 -12.096 19.249 1.00 0.00 H new ATOM 216 N ILE A 14 -13.967 -14.346 20.331 1.00 0.00 N ATOM 217 CA ILE A 14 -13.558 -14.370 21.731 1.00 0.00 C ATOM 218 C ILE A 14 -12.048 -14.537 21.859 1.00 0.00 C ATOM 219 O ILE A 14 -11.430 -14.000 22.779 1.00 0.00 O ATOM 220 CB ILE A 14 -14.257 -15.507 22.500 1.00 0.00 C ATOM 221 CG1 ILE A 14 -13.951 -16.857 21.850 1.00 0.00 C ATOM 222 CG2 ILE A 14 -15.758 -15.265 22.557 1.00 0.00 C ATOM 223 CD1 ILE A 14 -12.797 -17.592 22.495 1.00 0.00 C ATOM 0 H ILE A 14 -14.545 -15.137 20.047 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.853 -13.414 22.164 1.00 0.00 H new ATOM 0 HB ILE A 14 -13.874 -15.524 23.520 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -14.842 -17.484 21.897 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -13.727 -16.700 20.795 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -16.237 -16.077 23.104 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -15.955 -14.321 23.064 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -16.159 -15.224 21.544 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -12.638 -18.541 21.982 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.894 -16.985 22.425 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -13.026 -17.781 23.544 1.00 0.00 H new ATOM 235 N ALA A 15 -11.458 -15.285 20.932 1.00 0.00 N ATOM 236 CA ALA A 15 -10.020 -15.522 20.942 1.00 0.00 C ATOM 237 C ALA A 15 -9.250 -14.254 20.586 1.00 0.00 C ATOM 238 O ALA A 15 -8.120 -14.057 21.032 1.00 0.00 O ATOM 239 CB ALA A 15 -9.664 -16.644 19.980 1.00 0.00 C ATOM 0 H ALA A 15 -11.954 -15.737 20.164 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.734 -15.818 21.951 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.587 -16.810 19.998 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.177 -17.557 20.281 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.972 -16.370 18.971 1.00 0.00 H new ATOM 245 N GLN A 16 -9.868 -13.397 19.781 1.00 0.00 N ATOM 246 CA GLN A 16 -9.240 -12.149 19.364 1.00 0.00 C ATOM 247 C GLN A 16 -9.335 -11.096 20.465 1.00 0.00 C ATOM 248 O GLN A 16 -8.462 -10.238 20.595 1.00 0.00 O ATOM 249 CB GLN A 16 -9.895 -11.625 18.085 1.00 0.00 C ATOM 250 CG GLN A 16 -9.246 -12.145 16.813 1.00 0.00 C ATOM 251 CD GLN A 16 -9.739 -11.427 15.571 1.00 0.00 C ATOM 252 OE1 GLN A 16 -10.452 -10.428 15.660 1.00 0.00 O ATOM 253 NE2 GLN A 16 -9.362 -11.937 14.405 1.00 0.00 N ATOM 0 H GLN A 16 -10.804 -13.544 19.404 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.187 -12.351 19.168 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.949 -11.904 18.086 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.854 -10.536 18.085 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.165 -12.031 16.889 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.448 -13.212 16.716 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.770 -12.767 14.379 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.664 -11.499 13.535 1.00 0.00 H new ATOM 262 N THR A 17 -10.402 -11.168 21.254 1.00 0.00 N ATOM 263 CA THR A 17 -10.612 -10.220 22.344 1.00 0.00 C ATOM 264 C THR A 17 -9.617 -10.461 23.475 1.00 0.00 C ATOM 265 O THR A 17 -9.209 -9.526 24.164 1.00 0.00 O ATOM 266 CB THR A 17 -12.042 -10.332 22.874 1.00 0.00 C ATOM 267 OG1 THR A 17 -12.978 -10.228 21.816 1.00 0.00 O ATOM 268 CG2 THR A 17 -12.386 -9.268 23.895 1.00 0.00 C ATOM 0 H THR A 17 -11.134 -11.872 21.160 1.00 0.00 H new ATOM 0 HA THR A 17 -10.453 -9.214 21.954 1.00 0.00 H new ATOM 0 HB THR A 17 -12.096 -11.308 23.356 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.937 -11.036 21.262 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.414 -9.404 24.230 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.712 -9.351 24.748 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.280 -8.282 23.443 1.00 0.00 H new ATOM 276 N TRP A 18 -9.232 -11.718 23.661 1.00 0.00 N ATOM 277 CA TRP A 18 -8.285 -12.080 24.710 1.00 0.00 C ATOM 278 C TRP A 18 -6.858 -12.097 24.174 1.00 0.00 C ATOM 279 O TRP A 18 -5.943 -11.555 24.796 1.00 0.00 O ATOM 280 CB TRP A 18 -8.638 -13.448 25.296 1.00 0.00 C ATOM 281 CG TRP A 18 -8.262 -13.593 26.738 1.00 0.00 C ATOM 282 CD1 TRP A 18 -7.367 -14.478 27.267 1.00 0.00 C ATOM 283 CD2 TRP A 18 -8.773 -12.832 27.839 1.00 0.00 C ATOM 284 NE1 TRP A 18 -7.288 -14.313 28.628 1.00 0.00 N ATOM 285 CE2 TRP A 18 -8.142 -13.308 29.004 1.00 0.00 C ATOM 286 CE3 TRP A 18 -9.701 -11.793 27.952 1.00 0.00 C ATOM 287 CZ2 TRP A 18 -8.410 -12.782 30.265 1.00 0.00 C ATOM 288 CZ3 TRP A 18 -9.966 -11.272 29.205 1.00 0.00 C ATOM 289 CH2 TRP A 18 -9.323 -11.765 30.346 1.00 0.00 C ATOM 0 H TRP A 18 -9.561 -12.504 23.100 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.349 -11.328 25.496 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.710 -13.615 25.189 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -8.136 -14.223 24.718 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.803 -15.202 26.698 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.691 -14.850 29.257 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -10.201 -11.405 27.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.916 -13.162 31.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.682 -10.470 29.305 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.552 -11.335 31.310 1.00 0.00 H new ATOM 300 N GLN A 19 -6.672 -12.723 23.017 1.00 0.00 N ATOM 301 CA GLN A 19 -5.355 -12.811 22.397 1.00 0.00 C ATOM 302 C GLN A 19 -4.869 -11.437 21.949 1.00 0.00 C ATOM 303 O GLN A 19 -3.669 -11.163 21.945 1.00 0.00 O ATOM 304 CB GLN A 19 -5.395 -13.764 21.201 1.00 0.00 C ATOM 305 CG GLN A 19 -4.018 -14.142 20.679 1.00 0.00 C ATOM 306 CD GLN A 19 -3.678 -15.599 20.928 1.00 0.00 C ATOM 307 OE1 GLN A 19 -2.598 -15.920 21.422 1.00 0.00 O ATOM 308 NE2 GLN A 19 -4.602 -16.489 20.585 1.00 0.00 N ATOM 0 H GLN A 19 -7.417 -13.177 22.489 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.658 -13.198 23.140 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.928 -14.671 21.487 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.965 -13.300 20.396 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.971 -13.940 19.609 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.267 -13.511 21.155 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.484 -16.178 20.178 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.430 -17.484 20.728 1.00 0.00 H new ATOM 317 N GLN A 20 -5.809 -10.575 21.573 1.00 0.00 N ATOM 318 CA GLN A 20 -5.474 -9.229 21.123 1.00 0.00 C ATOM 319 C GLN A 20 -4.588 -9.277 19.879 1.00 0.00 C ATOM 320 O GLN A 20 -4.167 -10.351 19.450 1.00 0.00 O ATOM 321 CB GLN A 20 -4.768 -8.457 22.241 1.00 0.00 C ATOM 322 CG GLN A 20 -5.614 -7.344 22.839 1.00 0.00 C ATOM 323 CD GLN A 20 -5.972 -7.597 24.290 1.00 0.00 C ATOM 324 OE1 GLN A 20 -7.146 -7.710 24.643 1.00 0.00 O ATOM 325 NE2 GLN A 20 -4.957 -7.687 25.143 1.00 0.00 N ATOM 0 H GLN A 20 -6.807 -10.785 21.571 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.400 -8.715 20.866 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.487 -9.153 23.031 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.845 -8.030 21.850 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.073 -6.401 22.762 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.529 -7.236 22.257 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.999 -7.587 24.808 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.136 -7.856 26.133 1.00 0.00 H new ATOM 334 N PRO A 21 -4.293 -8.108 19.284 1.00 0.00 N ATOM 335 CA PRO A 21 -3.452 -8.025 18.085 1.00 0.00 C ATOM 336 C PRO A 21 -2.133 -8.772 18.251 1.00 0.00 C ATOM 337 O PRO A 21 -1.296 -8.399 19.072 1.00 0.00 O ATOM 338 CB PRO A 21 -3.201 -6.524 17.931 1.00 0.00 C ATOM 339 CG PRO A 21 -4.366 -5.875 18.594 1.00 0.00 C ATOM 340 CD PRO A 21 -4.753 -6.780 19.731 1.00 0.00 C ATOM 0 HA PRO A 21 -3.930 -8.481 17.218 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.263 -6.229 18.402 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.134 -6.240 16.881 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.104 -4.881 18.958 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.193 -5.751 17.895 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.273 -6.482 20.663 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.829 -6.766 19.907 1.00 0.00 H new ATOM 348 N GLU A 22 -1.955 -9.829 17.464 1.00 0.00 N ATOM 349 CA GLU A 22 -0.737 -10.628 17.524 1.00 0.00 C ATOM 350 C GLU A 22 0.223 -10.241 16.404 1.00 0.00 C ATOM 351 O GLU A 22 1.409 -10.007 16.643 1.00 0.00 O ATOM 352 CB GLU A 22 -1.075 -12.117 17.430 1.00 0.00 C ATOM 353 CG GLU A 22 -0.006 -13.022 18.022 1.00 0.00 C ATOM 354 CD GLU A 22 -0.271 -14.490 17.753 1.00 0.00 C ATOM 355 OE1 GLU A 22 -1.295 -15.008 18.244 1.00 0.00 O ATOM 356 OE2 GLU A 22 0.546 -15.122 17.051 1.00 0.00 O ATOM 0 H GLU A 22 -2.638 -10.151 16.778 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.250 -10.432 18.479 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.019 -12.300 17.943 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.225 -12.382 16.383 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.965 -12.750 17.608 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.049 -12.858 19.098 1.00 0.00 H new ATOM 364 N HIS A 23 -0.294 -10.175 15.182 1.00 0.00 N ATOM 365 CA HIS A 23 0.518 -9.815 14.027 1.00 0.00 C ATOM 366 C HIS A 23 1.059 -8.396 14.164 1.00 0.00 C ATOM 367 O HIS A 23 0.299 -7.447 14.356 1.00 0.00 O ATOM 368 CB HIS A 23 -0.303 -9.940 12.742 1.00 0.00 C ATOM 369 CG HIS A 23 -0.508 -11.354 12.298 1.00 0.00 C ATOM 370 ND1 HIS A 23 -0.486 -12.427 13.165 1.00 0.00 N ATOM 371 CD2 HIS A 23 -0.739 -11.872 11.068 1.00 0.00 C ATOM 372 CE1 HIS A 23 -0.694 -13.542 12.489 1.00 0.00 C ATOM 373 NE2 HIS A 23 -0.852 -13.233 11.215 1.00 0.00 N ATOM 0 H HIS A 23 -1.272 -10.366 14.966 1.00 0.00 H new ATOM 0 HA HIS A 23 1.362 -10.503 13.978 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -1.275 -9.471 12.895 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.196 -9.387 11.946 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.819 -11.318 10.144 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -0.729 -14.537 12.907 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -1.029 -13.898 10.462 1.00 0.00 H new ATOM 382 N TYR A 24 2.377 -8.259 14.065 1.00 0.00 N ATOM 383 CA TYR A 24 3.021 -6.956 14.178 1.00 0.00 C ATOM 384 C TYR A 24 3.602 -6.519 12.837 1.00 0.00 C ATOM 385 O TYR A 24 4.657 -7.001 12.420 1.00 0.00 O ATOM 386 CB TYR A 24 4.124 -6.999 15.237 1.00 0.00 C ATOM 387 CG TYR A 24 3.601 -6.986 16.655 1.00 0.00 C ATOM 388 CD1 TYR A 24 2.872 -5.907 17.138 1.00 0.00 C ATOM 389 CD2 TYR A 24 3.838 -8.054 17.512 1.00 0.00 C ATOM 390 CE1 TYR A 24 2.393 -5.892 18.435 1.00 0.00 C ATOM 391 CE2 TYR A 24 3.362 -8.046 18.810 1.00 0.00 C ATOM 392 CZ TYR A 24 2.641 -6.964 19.266 1.00 0.00 C ATOM 393 OH TYR A 24 2.166 -6.953 20.557 1.00 0.00 O ATOM 0 H TYR A 24 3.020 -9.035 13.907 1.00 0.00 H new ATOM 0 HA TYR A 24 2.266 -6.230 14.480 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.724 -7.896 15.088 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.786 -6.145 15.095 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.676 -5.066 16.490 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.403 -8.904 17.158 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.828 -5.045 18.795 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.554 -8.884 19.464 1.00 0.00 H new ATOM 0 HH TYR A 24 2.426 -7.783 21.008 1.00 0.00 H new ATOM 403 N ASP A 25 2.910 -5.606 12.167 1.00 0.00 N ATOM 404 CA ASP A 25 3.357 -5.105 10.872 1.00 0.00 C ATOM 405 C ASP A 25 3.994 -3.726 11.012 1.00 0.00 C ATOM 406 O ASP A 25 3.439 -2.838 11.659 1.00 0.00 O ATOM 407 CB ASP A 25 2.183 -5.041 9.893 1.00 0.00 C ATOM 408 CG ASP A 25 1.732 -6.416 9.441 1.00 0.00 C ATOM 409 OD1 ASP A 25 0.708 -6.905 9.961 1.00 0.00 O ATOM 410 OD2 ASP A 25 2.403 -7.002 8.566 1.00 0.00 O ATOM 0 H ASP A 25 2.037 -5.197 12.499 1.00 0.00 H new ATOM 0 HA ASP A 25 4.107 -5.794 10.484 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.347 -4.525 10.365 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.471 -4.452 9.022 1.00 0.00 H new ATOM 416 N LEU A 26 5.160 -3.555 10.400 1.00 0.00 N ATOM 417 CA LEU A 26 5.874 -2.284 10.455 1.00 0.00 C ATOM 418 C LEU A 26 5.858 -1.594 9.094 1.00 0.00 C ATOM 419 O LEU A 26 5.910 -2.250 8.054 1.00 0.00 O ATOM 420 CB LEU A 26 7.318 -2.505 10.911 1.00 0.00 C ATOM 421 CG LEU A 26 7.531 -2.470 12.425 1.00 0.00 C ATOM 422 CD1 LEU A 26 7.306 -1.066 12.964 1.00 0.00 C ATOM 423 CD2 LEU A 26 6.606 -3.462 13.115 1.00 0.00 C ATOM 0 H LEU A 26 5.632 -4.280 9.860 1.00 0.00 H new ATOM 0 HA LEU A 26 5.368 -1.641 11.175 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.659 -3.469 10.534 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.948 -1.743 10.453 1.00 0.00 H new ATOM 0 HG LEU A 26 8.562 -2.756 12.635 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.462 -1.061 14.043 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.008 -0.378 12.493 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.286 -0.751 12.744 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.770 -3.424 14.192 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.569 -3.205 12.897 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.815 -4.468 12.751 1.00 0.00 H new ATOM 435 N TYR A 27 5.785 -0.267 9.110 1.00 0.00 N ATOM 436 CA TYR A 27 5.762 0.511 7.877 1.00 0.00 C ATOM 437 C TYR A 27 6.804 1.625 7.918 1.00 0.00 C ATOM 438 O TYR A 27 6.847 2.415 8.861 1.00 0.00 O ATOM 439 CB TYR A 27 4.368 1.103 7.650 1.00 0.00 C ATOM 440 CG TYR A 27 3.785 0.773 6.294 1.00 0.00 C ATOM 441 CD1 TYR A 27 4.559 0.862 5.144 1.00 0.00 C ATOM 442 CD2 TYR A 27 2.461 0.375 6.164 1.00 0.00 C ATOM 443 CE1 TYR A 27 4.030 0.562 3.904 1.00 0.00 C ATOM 444 CE2 TYR A 27 1.924 0.072 4.927 1.00 0.00 C ATOM 445 CZ TYR A 27 2.713 0.167 3.800 1.00 0.00 C ATOM 446 OH TYR A 27 2.183 -0.132 2.567 1.00 0.00 O ATOM 0 H TYR A 27 5.741 0.291 9.962 1.00 0.00 H new ATOM 0 HA TYR A 27 6.004 -0.155 7.049 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.695 0.735 8.425 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.420 2.186 7.760 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.591 1.171 5.221 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.840 0.301 7.045 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.645 0.636 3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.893 -0.237 4.844 1.00 0.00 H new ATOM 0 HH TYR A 27 1.766 0.669 2.187 1.00 0.00 H new ATOM 456 N ILE A 28 7.641 1.683 6.887 1.00 0.00 N ATOM 457 CA ILE A 28 8.682 2.700 6.804 1.00 0.00 C ATOM 458 C ILE A 28 8.407 3.674 5.661 1.00 0.00 C ATOM 459 O ILE A 28 8.050 3.260 4.558 1.00 0.00 O ATOM 460 CB ILE A 28 10.072 2.066 6.600 1.00 0.00 C ATOM 461 CG1 ILE A 28 10.290 0.925 7.594 1.00 0.00 C ATOM 462 CG2 ILE A 28 11.161 3.118 6.745 1.00 0.00 C ATOM 463 CD1 ILE A 28 10.322 1.379 9.038 1.00 0.00 C ATOM 0 H ILE A 28 7.618 1.037 6.098 1.00 0.00 H new ATOM 0 HA ILE A 28 8.673 3.241 7.750 1.00 0.00 H new ATOM 0 HB ILE A 28 10.122 1.656 5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.495 0.189 7.470 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.228 0.423 7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 28 12.137 2.654 6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 28 11.014 3.899 5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.114 3.556 7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.480 0.518 9.687 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.135 2.092 9.177 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.374 1.855 9.291 1.00 0.00 H new ATOM 475 N PRO A 29 8.569 4.987 5.906 1.00 0.00 N ATOM 476 CA PRO A 29 8.334 6.013 4.885 1.00 0.00 C ATOM 477 C PRO A 29 9.426 6.033 3.821 1.00 0.00 C ATOM 478 O PRO A 29 10.425 5.322 3.930 1.00 0.00 O ATOM 479 CB PRO A 29 8.344 7.316 5.685 1.00 0.00 C ATOM 480 CG PRO A 29 9.209 7.027 6.863 1.00 0.00 C ATOM 481 CD PRO A 29 8.992 5.575 7.192 1.00 0.00 C ATOM 0 HA PRO A 29 7.408 5.839 4.338 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.742 8.141 5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.338 7.600 5.992 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.257 7.223 6.635 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.943 7.662 7.708 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.903 5.108 7.566 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.230 5.448 7.961 1.00 0.00 H new ATOM 489 N ALA A 30 9.228 6.852 2.794 1.00 0.00 N ATOM 490 CA ALA A 30 10.196 6.965 1.710 1.00 0.00 C ATOM 491 C ALA A 30 10.616 8.417 1.499 1.00 0.00 C ATOM 492 O ALA A 30 10.137 9.317 2.189 1.00 0.00 O ATOM 493 CB ALA A 30 9.620 6.390 0.425 1.00 0.00 C ATOM 0 H ALA A 30 8.406 7.447 2.690 1.00 0.00 H new ATOM 0 HA ALA A 30 11.082 6.393 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.354 6.481 -0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.375 5.338 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.717 6.938 0.154 1.00 0.00 H new ATOM 499 N ILE A 31 11.512 8.636 0.543 1.00 0.00 N ATOM 500 CA ILE A 31 11.995 9.978 0.243 1.00 0.00 C ATOM 501 C ILE A 31 11.289 10.555 -0.980 1.00 0.00 C ATOM 502 O ILE A 31 11.047 9.850 -1.960 1.00 0.00 O ATOM 503 CB ILE A 31 13.515 9.987 -0.004 1.00 0.00 C ATOM 504 CG1 ILE A 31 13.884 8.976 -1.092 1.00 0.00 C ATOM 505 CG2 ILE A 31 14.263 9.682 1.285 1.00 0.00 C ATOM 506 CD1 ILE A 31 15.081 9.391 -1.920 1.00 0.00 C ATOM 0 H ILE A 31 11.918 7.902 -0.037 1.00 0.00 H new ATOM 0 HA ILE A 31 11.773 10.596 1.113 1.00 0.00 H new ATOM 0 HB ILE A 31 13.806 10.981 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.091 8.012 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.028 8.835 -1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 31 15.336 9.692 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 31 14.021 10.436 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 31 13.969 8.699 1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.286 8.628 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 31 14.870 10.340 -2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 31 15.950 9.504 -1.272 1.00 0.00 H new ATOM 518 N THR A 32 10.963 11.842 -0.918 1.00 0.00 N ATOM 519 CA THR A 32 10.287 12.514 -2.021 1.00 0.00 C ATOM 520 C THR A 32 11.151 13.635 -2.587 1.00 0.00 C ATOM 521 O THR A 32 11.959 14.230 -1.874 1.00 0.00 O ATOM 522 CB THR A 32 8.943 13.078 -1.554 1.00 0.00 C ATOM 523 OG1 THR A 32 8.395 13.940 -2.535 1.00 0.00 O ATOM 524 CG2 THR A 32 9.038 13.854 -0.259 1.00 0.00 C ATOM 0 H THR A 32 11.156 12.440 -0.115 1.00 0.00 H new ATOM 0 HA THR A 32 10.113 11.781 -2.808 1.00 0.00 H new ATOM 0 HB THR A 32 8.304 12.210 -1.391 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.471 14.163 -2.295 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.051 14.226 0.015 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.412 13.201 0.530 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.720 14.695 -0.388 1.00 0.00 H new ATOM 532 N TRP A 33 10.977 13.918 -3.874 1.00 0.00 N ATOM 533 CA TRP A 33 11.742 14.968 -4.537 1.00 0.00 C ATOM 534 C TRP A 33 10.847 16.148 -4.898 1.00 0.00 C ATOM 535 O TRP A 33 10.236 16.173 -5.966 1.00 0.00 O ATOM 536 CB TRP A 33 12.416 14.421 -5.796 1.00 0.00 C ATOM 537 CG TRP A 33 11.450 13.825 -6.774 1.00 0.00 C ATOM 538 CD1 TRP A 33 10.857 12.597 -6.696 1.00 0.00 C ATOM 539 CD2 TRP A 33 10.967 14.428 -7.978 1.00 0.00 C ATOM 540 NE1 TRP A 33 10.034 12.401 -7.779 1.00 0.00 N ATOM 541 CE2 TRP A 33 10.084 13.511 -8.581 1.00 0.00 C ATOM 542 CE3 TRP A 33 11.193 15.657 -8.607 1.00 0.00 C ATOM 543 CZ2 TRP A 33 9.429 13.785 -9.779 1.00 0.00 C ATOM 544 CZ3 TRP A 33 10.542 15.926 -9.796 1.00 0.00 C ATOM 545 CH2 TRP A 33 9.669 14.993 -10.372 1.00 0.00 C ATOM 0 H TRP A 33 10.313 13.435 -4.479 1.00 0.00 H new ATOM 0 HA TRP A 33 12.509 15.315 -3.845 1.00 0.00 H new ATOM 0 HB2 TRP A 33 12.966 15.226 -6.284 1.00 0.00 H new ATOM 0 HB3 TRP A 33 13.146 13.664 -5.509 1.00 0.00 H new ATOM 0 HD1 TRP A 33 11.012 11.884 -5.900 1.00 0.00 H new ATOM 0 HE1 TRP A 33 9.477 11.565 -7.957 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.864 16.382 -8.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 8.755 13.068 -10.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 10.709 16.872 -10.290 1.00 0.00 H new ATOM 0 HH2 TRP A 33 9.176 15.233 -11.303 1.00 0.00 H new ATOM 556 N HIS A 34 10.774 17.126 -4.000 1.00 0.00 N ATOM 557 CA HIS A 34 9.953 18.310 -4.225 1.00 0.00 C ATOM 558 C HIS A 34 8.482 17.932 -4.366 1.00 0.00 C ATOM 559 O HIS A 34 8.091 17.268 -5.324 1.00 0.00 O ATOM 560 CB HIS A 34 10.426 19.054 -5.476 1.00 0.00 C ATOM 561 CG HIS A 34 10.639 20.519 -5.255 1.00 0.00 C ATOM 562 ND1 HIS A 34 11.777 21.241 -5.124 1.00 0.00 N flip ATOM 563 CD2 HIS A 34 9.601 21.421 -5.144 1.00 0.00 C flip ATOM 564 CE1 HIS A 34 11.410 22.550 -4.937 1.00 0.00 C flip ATOM 565 NE2 HIS A 34 10.092 22.633 -4.954 1.00 0.00 N flip ATOM 0 H HIS A 34 11.273 17.122 -3.111 1.00 0.00 H new ATOM 0 HA HIS A 34 10.059 18.966 -3.361 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.358 18.608 -5.824 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.692 18.917 -6.270 1.00 0.00 H new ATOM 0 HD1 HIS A 34 12.730 20.879 -5.158 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.551 21.175 -5.203 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.089 23.378 -4.798 1.00 0.00 H new ATOM 574 N ALA A 35 7.671 18.361 -3.403 1.00 0.00 N ATOM 575 CA ALA A 35 6.243 18.067 -3.420 1.00 0.00 C ATOM 576 C ALA A 35 5.430 19.270 -2.953 1.00 0.00 C ATOM 577 O ALA A 35 4.575 19.773 -3.682 1.00 0.00 O ATOM 578 CB ALA A 35 5.945 16.856 -2.549 1.00 0.00 C ATOM 0 H ALA A 35 7.979 18.913 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 35 5.954 17.843 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.875 16.647 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.491 15.992 -2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.255 17.060 -1.524 1.00 0.00 H new ATOM 584 N ARG A 36 5.700 19.725 -1.734 1.00 0.00 N ATOM 585 CA ARG A 36 4.992 20.869 -1.172 1.00 0.00 C ATOM 586 C ARG A 36 5.810 22.147 -1.324 1.00 0.00 C ATOM 587 O ARG A 36 5.698 23.067 -0.514 1.00 0.00 O ATOM 588 CB ARG A 36 4.678 20.625 0.306 1.00 0.00 C ATOM 589 CG ARG A 36 3.356 21.226 0.755 1.00 0.00 C ATOM 590 CD ARG A 36 2.726 20.411 1.873 1.00 0.00 C ATOM 591 NE ARG A 36 1.703 19.495 1.373 1.00 0.00 N ATOM 592 CZ ARG A 36 1.000 18.675 2.150 1.00 0.00 C ATOM 593 NH1 ARG A 36 1.206 18.651 3.462 1.00 0.00 N ATOM 594 NH2 ARG A 36 0.088 17.874 1.615 1.00 0.00 N ATOM 0 H ARG A 36 6.403 19.319 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 36 4.058 20.990 -1.721 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.661 19.551 0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.482 21.042 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.517 22.249 1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.671 21.275 -0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.501 19.843 2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.283 21.084 2.607 1.00 0.00 H new ATOM 0 HE ARG A 36 1.517 19.484 0.370 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.907 19.264 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.664 18.020 4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.074 17.887 0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.451 17.245 2.211 1.00 0.00 H new ATOM 608 N PHE A 37 6.633 22.199 -2.367 1.00 0.00 N ATOM 609 CA PHE A 37 7.470 23.365 -2.625 1.00 0.00 C ATOM 610 C PHE A 37 8.384 23.654 -1.437 1.00 0.00 C ATOM 611 O PHE A 37 7.937 24.155 -0.405 1.00 0.00 O ATOM 612 CB PHE A 37 6.597 24.588 -2.924 1.00 0.00 C ATOM 613 CG PHE A 37 7.035 25.354 -4.140 1.00 0.00 C ATOM 614 CD1 PHE A 37 8.366 25.698 -4.316 1.00 0.00 C ATOM 615 CD2 PHE A 37 6.115 25.732 -5.106 1.00 0.00 C ATOM 616 CE1 PHE A 37 8.771 26.403 -5.434 1.00 0.00 C ATOM 617 CE2 PHE A 37 6.514 26.437 -6.224 1.00 0.00 C ATOM 618 CZ PHE A 37 7.844 26.773 -6.389 1.00 0.00 C ATOM 0 H PHE A 37 6.738 21.446 -3.047 1.00 0.00 H new ATOM 0 HA PHE A 37 8.093 23.150 -3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.565 24.263 -3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.610 25.254 -2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.095 25.412 -3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.074 25.472 -4.982 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.811 26.664 -5.561 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.787 26.726 -6.969 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.158 27.324 -7.263 1.00 0.00 H new ATOM 628 N ALA A 38 9.664 23.335 -1.591 1.00 0.00 N ATOM 629 CA ALA A 38 10.639 23.561 -0.531 1.00 0.00 C ATOM 630 C ALA A 38 11.002 25.038 -0.425 1.00 0.00 C ATOM 631 O ALA A 38 11.878 25.527 -1.138 1.00 0.00 O ATOM 632 CB ALA A 38 11.887 22.726 -0.777 1.00 0.00 C ATOM 0 H ALA A 38 10.050 22.920 -2.439 1.00 0.00 H new ATOM 0 HA ALA A 38 10.190 23.255 0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.607 22.904 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.620 21.669 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.329 23.006 -1.733 1.00 0.00 H new ATOM 638 N TYR A 39 10.322 25.746 0.472 1.00 0.00 N ATOM 639 CA TYR A 39 10.573 27.169 0.673 1.00 0.00 C ATOM 640 C TYR A 39 11.979 27.401 1.216 1.00 0.00 C ATOM 641 O TYR A 39 12.356 26.846 2.248 1.00 0.00 O ATOM 642 CB TYR A 39 9.539 27.760 1.632 1.00 0.00 C ATOM 643 CG TYR A 39 8.203 28.044 0.983 1.00 0.00 C ATOM 644 CD1 TYR A 39 7.283 27.026 0.769 1.00 0.00 C ATOM 645 CD2 TYR A 39 7.863 29.330 0.583 1.00 0.00 C ATOM 646 CE1 TYR A 39 6.061 27.280 0.175 1.00 0.00 C ATOM 647 CE2 TYR A 39 6.642 29.593 -0.010 1.00 0.00 C ATOM 648 CZ TYR A 39 5.746 28.566 -0.212 1.00 0.00 C ATOM 649 OH TYR A 39 4.531 28.823 -0.803 1.00 0.00 O ATOM 0 H TYR A 39 9.593 25.358 1.071 1.00 0.00 H new ATOM 0 HA TYR A 39 10.489 27.668 -0.293 1.00 0.00 H new ATOM 0 HB2 TYR A 39 9.390 27.070 2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.933 28.685 2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.527 26.018 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.564 30.137 0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.357 26.477 0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.392 30.599 -0.313 1.00 0.00 H new ATOM 0 HH TYR A 39 4.465 29.778 -1.014 1.00 0.00 H new ATOM 659 N ASP A 40 12.751 28.224 0.514 1.00 0.00 N ATOM 660 CA ASP A 40 14.116 28.529 0.927 1.00 0.00 C ATOM 661 C ASP A 40 14.159 29.794 1.778 1.00 0.00 C ATOM 662 O ASP A 40 13.287 30.656 1.673 1.00 0.00 O ATOM 663 CB ASP A 40 15.015 28.695 -0.300 1.00 0.00 C ATOM 664 CG ASP A 40 15.485 27.366 -0.857 1.00 0.00 C ATOM 665 OD1 ASP A 40 16.341 26.723 -0.213 1.00 0.00 O ATOM 666 OD2 ASP A 40 14.997 26.968 -1.935 1.00 0.00 O ATOM 0 H ASP A 40 12.455 28.691 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 40 14.482 27.697 1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.472 29.238 -1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 40 15.881 29.301 -0.033 1.00 0.00 H new ATOM 672 N LYS A 41 15.180 29.897 2.622 1.00 0.00 N ATOM 673 CA LYS A 41 15.338 31.056 3.494 1.00 0.00 C ATOM 674 C LYS A 41 16.791 31.519 3.523 1.00 0.00 C ATOM 675 O LYS A 41 17.095 32.665 3.190 1.00 0.00 O ATOM 676 CB LYS A 41 14.869 30.722 4.911 1.00 0.00 C ATOM 677 CG LYS A 41 13.372 30.893 5.112 1.00 0.00 C ATOM 678 CD LYS A 41 12.970 32.359 5.092 1.00 0.00 C ATOM 679 CE LYS A 41 12.427 32.770 3.734 1.00 0.00 C ATOM 680 NZ LYS A 41 11.328 33.767 3.852 1.00 0.00 N ATOM 0 H LYS A 41 15.911 29.192 2.721 1.00 0.00 H new ATOM 0 HA LYS A 41 14.725 31.865 3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 41 15.143 29.693 5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.398 31.360 5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.835 30.357 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.078 30.447 6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.215 32.541 5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.832 32.977 5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.234 33.189 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.062 31.888 3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.986 34.021 2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.547 33.359 4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.682 34.619 4.331 1.00 0.00 H new ATOM 694 N GLU A 42 17.684 30.622 3.925 1.00 0.00 N ATOM 695 CA GLU A 42 19.106 30.938 4.000 1.00 0.00 C ATOM 696 C GLU A 42 19.357 32.087 4.971 1.00 0.00 C ATOM 697 O GLU A 42 20.207 32.943 4.730 1.00 0.00 O ATOM 698 CB GLU A 42 19.642 31.300 2.613 1.00 0.00 C ATOM 699 CG GLU A 42 20.082 30.094 1.798 1.00 0.00 C ATOM 700 CD GLU A 42 18.934 29.154 1.483 1.00 0.00 C ATOM 701 OE1 GLU A 42 18.408 28.524 2.423 1.00 0.00 O ATOM 702 OE2 GLU A 42 18.561 29.049 0.295 1.00 0.00 O ATOM 0 H GLU A 42 17.449 29.670 4.204 1.00 0.00 H new ATOM 0 HA GLU A 42 19.631 30.056 4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 42 18.870 31.838 2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 42 20.486 31.980 2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 42 20.534 30.435 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 42 20.852 29.551 2.346 1.00 0.00 H new ATOM 710 N LYS A 43 18.610 32.097 6.071 1.00 0.00 N ATOM 711 CA LYS A 43 18.750 33.140 7.082 1.00 0.00 C ATOM 712 C LYS A 43 19.349 32.578 8.366 1.00 0.00 C ATOM 713 O LYS A 43 20.449 32.959 8.770 1.00 0.00 O ATOM 714 CB LYS A 43 17.392 33.779 7.375 1.00 0.00 C ATOM 715 CG LYS A 43 17.488 35.073 8.166 1.00 0.00 C ATOM 716 CD LYS A 43 18.117 36.185 7.341 1.00 0.00 C ATOM 717 CE LYS A 43 19.061 37.034 8.177 1.00 0.00 C ATOM 718 NZ LYS A 43 20.472 36.578 8.055 1.00 0.00 N ATOM 0 H LYS A 43 17.902 31.395 6.285 1.00 0.00 H new ATOM 0 HA LYS A 43 19.426 33.901 6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 43 16.881 33.976 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 43 16.777 33.069 7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.493 35.377 8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 43 18.080 34.907 9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 43 18.662 35.753 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.333 36.816 6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 43 18.987 38.075 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 43 18.756 36.994 9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 21.084 37.182 8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 20.548 35.592 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 20.772 36.640 7.061 1.00 0.00 H new ATOM 732 N THR A 44 18.619 31.669 9.004 1.00 0.00 N ATOM 733 CA THR A 44 19.078 31.054 10.245 1.00 0.00 C ATOM 734 C THR A 44 19.796 29.738 9.967 1.00 0.00 C ATOM 735 O THR A 44 19.367 28.950 9.124 1.00 0.00 O ATOM 736 CB THR A 44 17.897 30.814 11.186 1.00 0.00 C ATOM 737 OG1 THR A 44 18.322 30.160 12.368 1.00 0.00 O ATOM 738 CG2 THR A 44 16.800 29.975 10.568 1.00 0.00 C ATOM 0 H THR A 44 17.708 31.342 8.683 1.00 0.00 H new ATOM 0 HA THR A 44 19.781 31.737 10.721 1.00 0.00 H new ATOM 0 HB THR A 44 17.497 31.804 11.404 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.552 30.017 12.958 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.993 29.843 11.289 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.415 30.476 9.680 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.201 29.000 10.289 1.00 0.00 H new ATOM 746 N ASP A 45 20.892 29.505 10.684 1.00 0.00 N ATOM 747 CA ASP A 45 21.670 28.283 10.516 1.00 0.00 C ATOM 748 C ASP A 45 21.490 27.357 11.714 1.00 0.00 C ATOM 749 O ASP A 45 21.821 27.716 12.844 1.00 0.00 O ATOM 750 CB ASP A 45 23.152 28.618 10.333 1.00 0.00 C ATOM 751 CG ASP A 45 23.834 27.700 9.339 1.00 0.00 C ATOM 752 OD1 ASP A 45 24.747 26.953 9.750 1.00 0.00 O ATOM 753 OD2 ASP A 45 23.456 27.727 8.149 1.00 0.00 O ATOM 0 H ASP A 45 21.261 30.146 11.386 1.00 0.00 H new ATOM 0 HA ASP A 45 21.309 27.770 9.625 1.00 0.00 H new ATOM 0 HB2 ASP A 45 23.249 29.650 9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.659 28.548 11.295 1.00 0.00 H new ATOM 759 N ARG A 46 20.964 26.164 11.460 1.00 0.00 N ATOM 760 CA ARG A 46 20.738 25.187 12.519 1.00 0.00 C ATOM 761 C ARG A 46 20.835 23.764 11.977 1.00 0.00 C ATOM 762 O ARG A 46 20.753 23.542 10.770 1.00 0.00 O ATOM 763 CB ARG A 46 19.367 25.408 13.159 1.00 0.00 C ATOM 764 CG ARG A 46 19.340 25.132 14.654 1.00 0.00 C ATOM 765 CD ARG A 46 18.862 23.719 14.956 1.00 0.00 C ATOM 766 NE ARG A 46 17.578 23.712 15.655 1.00 0.00 N ATOM 767 CZ ARG A 46 16.395 23.669 15.045 1.00 0.00 C ATOM 768 NH1 ARG A 46 16.320 23.627 13.720 1.00 0.00 N ATOM 769 NH2 ARG A 46 15.280 23.669 15.763 1.00 0.00 N ATOM 0 H ARG A 46 20.686 25.850 10.530 1.00 0.00 H new ATOM 0 HA ARG A 46 21.512 25.322 13.275 1.00 0.00 H new ATOM 0 HB2 ARG A 46 19.055 26.437 12.983 1.00 0.00 H new ATOM 0 HB3 ARG A 46 18.638 24.765 12.666 1.00 0.00 H new ATOM 0 HG2 ARG A 46 20.338 25.275 15.069 1.00 0.00 H new ATOM 0 HG3 ARG A 46 18.684 25.851 15.145 1.00 0.00 H new ATOM 0 HD2 ARG A 46 18.770 23.161 14.024 1.00 0.00 H new ATOM 0 HD3 ARG A 46 19.608 23.206 15.563 1.00 0.00 H new ATOM 0 HE ARG A 46 17.589 23.742 16.675 1.00 0.00 H new ATOM 0 HH11 ARG A 46 17.173 23.627 13.161 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.409 23.594 13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.329 23.702 16.781 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.373 23.636 15.297 1.00 0.00 H new ATOM 783 N TYR A 47 21.010 22.804 12.880 1.00 0.00 N ATOM 784 CA TYR A 47 21.117 21.401 12.492 1.00 0.00 C ATOM 785 C TYR A 47 19.852 20.637 12.870 1.00 0.00 C ATOM 786 O TYR A 47 19.661 20.265 14.028 1.00 0.00 O ATOM 787 CB TYR A 47 22.334 20.758 13.159 1.00 0.00 C ATOM 788 CG TYR A 47 22.876 19.564 12.406 1.00 0.00 C ATOM 789 CD1 TYR A 47 23.317 19.688 11.094 1.00 0.00 C ATOM 790 CD2 TYR A 47 22.947 18.313 13.007 1.00 0.00 C ATOM 791 CE1 TYR A 47 23.812 18.598 10.402 1.00 0.00 C ATOM 792 CE2 TYR A 47 23.443 17.220 12.321 1.00 0.00 C ATOM 793 CZ TYR A 47 23.874 17.367 11.021 1.00 0.00 C ATOM 794 OH TYR A 47 24.367 16.282 10.335 1.00 0.00 O ATOM 0 H TYR A 47 21.081 22.971 13.884 1.00 0.00 H new ATOM 0 HA TYR A 47 21.239 21.355 11.410 1.00 0.00 H new ATOM 0 HB2 TYR A 47 23.122 21.505 13.255 1.00 0.00 H new ATOM 0 HB3 TYR A 47 22.063 20.448 14.168 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.272 20.651 10.607 1.00 0.00 H new ATOM 0 HD2 TYR A 47 22.609 18.193 14.026 1.00 0.00 H new ATOM 0 HE1 TYR A 47 24.148 18.710 9.382 1.00 0.00 H new ATOM 0 HE2 TYR A 47 23.492 16.255 12.803 1.00 0.00 H new ATOM 0 HH TYR A 47 24.344 15.491 10.913 1.00 0.00 H new ATOM 804 N ASN A 48 18.990 20.407 11.885 1.00 0.00 N ATOM 805 CA ASN A 48 17.742 19.687 12.114 1.00 0.00 C ATOM 806 C ASN A 48 17.959 18.180 12.035 1.00 0.00 C ATOM 807 O ASN A 48 18.808 17.702 11.283 1.00 0.00 O ATOM 808 CB ASN A 48 16.688 20.116 11.091 1.00 0.00 C ATOM 809 CG ASN A 48 15.283 19.729 11.512 1.00 0.00 C ATOM 810 OD1 ASN A 48 15.095 18.943 12.441 1.00 0.00 O ATOM 811 ND2 ASN A 48 14.288 20.281 10.828 1.00 0.00 N ATOM 0 H ASN A 48 19.132 20.708 10.921 1.00 0.00 H new ATOM 0 HA ASN A 48 17.389 19.932 13.116 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.738 21.196 10.952 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.914 19.660 10.127 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.321 20.059 11.065 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.490 20.927 10.065 1.00 0.00 H new ATOM 818 N GLU A 49 17.184 17.434 12.817 1.00 0.00 N ATOM 819 CA GLU A 49 17.291 15.980 12.836 1.00 0.00 C ATOM 820 C GLU A 49 16.106 15.340 12.120 1.00 0.00 C ATOM 821 O GLU A 49 15.013 15.906 12.079 1.00 0.00 O ATOM 822 CB GLU A 49 17.367 15.471 14.278 1.00 0.00 C ATOM 823 CG GLU A 49 18.606 15.940 15.022 1.00 0.00 C ATOM 824 CD GLU A 49 19.209 14.853 15.891 1.00 0.00 C ATOM 825 OE1 GLU A 49 18.928 14.842 17.108 1.00 0.00 O ATOM 826 OE2 GLU A 49 19.961 14.013 15.354 1.00 0.00 O ATOM 0 H GLU A 49 16.476 17.813 13.445 1.00 0.00 H new ATOM 0 HA GLU A 49 18.205 15.700 12.312 1.00 0.00 H new ATOM 0 HB2 GLU A 49 16.481 15.803 14.819 1.00 0.00 H new ATOM 0 HB3 GLU A 49 17.347 14.381 14.272 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.351 16.280 14.302 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.349 16.797 15.644 1.00 0.00 H new ATOM 834 N ARG A 50 16.330 14.157 11.557 1.00 0.00 N ATOM 835 CA ARG A 50 15.280 13.440 10.842 1.00 0.00 C ATOM 836 C ARG A 50 14.888 12.164 11.584 1.00 0.00 C ATOM 837 O ARG A 50 15.438 11.093 11.328 1.00 0.00 O ATOM 838 CB ARG A 50 15.743 13.096 9.424 1.00 0.00 C ATOM 839 CG ARG A 50 15.357 14.142 8.390 1.00 0.00 C ATOM 840 CD ARG A 50 13.855 14.162 8.153 1.00 0.00 C ATOM 841 NE ARG A 50 13.172 15.092 9.050 1.00 0.00 N ATOM 842 CZ ARG A 50 11.865 15.058 9.296 1.00 0.00 C ATOM 843 NH1 ARG A 50 11.096 14.143 8.718 1.00 0.00 N ATOM 844 NH2 ARG A 50 11.324 15.940 10.126 1.00 0.00 N ATOM 0 H ARG A 50 17.228 13.675 11.582 1.00 0.00 H new ATOM 0 HA ARG A 50 14.406 14.089 10.785 1.00 0.00 H new ATOM 0 HB2 ARG A 50 16.827 12.978 9.423 1.00 0.00 H new ATOM 0 HB3 ARG A 50 15.317 12.135 9.134 1.00 0.00 H new ATOM 0 HG2 ARG A 50 15.687 15.125 8.725 1.00 0.00 H new ATOM 0 HG3 ARG A 50 15.872 13.935 7.452 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.655 14.442 7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.452 13.159 8.295 1.00 0.00 H new ATOM 0 HE ARG A 50 13.730 15.809 9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.507 13.460 8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.095 14.123 8.911 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.910 16.644 10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.322 15.915 10.315 1.00 0.00 H new ATOM 858 N PRO A 51 13.925 12.264 12.519 1.00 0.00 N ATOM 859 CA PRO A 51 13.460 11.112 13.298 1.00 0.00 C ATOM 860 C PRO A 51 12.685 10.111 12.448 1.00 0.00 C ATOM 861 O PRO A 51 12.690 8.912 12.726 1.00 0.00 O ATOM 862 CB PRO A 51 12.545 11.739 14.351 1.00 0.00 C ATOM 863 CG PRO A 51 12.078 13.013 13.738 1.00 0.00 C ATOM 864 CD PRO A 51 13.216 13.504 12.886 1.00 0.00 C ATOM 0 HA PRO A 51 14.290 10.545 13.719 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.707 11.083 14.588 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.081 11.921 15.283 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.182 12.852 13.138 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.821 13.744 14.505 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.858 14.038 12.006 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.862 14.190 13.434 1.00 0.00 H new ATOM 872 N TRP A 52 12.022 10.613 11.410 1.00 0.00 N ATOM 873 CA TRP A 52 11.241 9.765 10.515 1.00 0.00 C ATOM 874 C TRP A 52 10.090 9.098 11.262 1.00 0.00 C ATOM 875 O TRP A 52 10.293 8.460 12.296 1.00 0.00 O ATOM 876 CB TRP A 52 12.134 8.700 9.874 1.00 0.00 C ATOM 877 CG TRP A 52 12.752 9.142 8.583 1.00 0.00 C ATOM 878 CD1 TRP A 52 12.103 9.660 7.499 1.00 0.00 C ATOM 879 CD2 TRP A 52 14.142 9.106 8.240 1.00 0.00 C ATOM 880 NE1 TRP A 52 13.005 9.948 6.503 1.00 0.00 N ATOM 881 CE2 TRP A 52 14.263 9.617 6.933 1.00 0.00 C ATOM 882 CE3 TRP A 52 15.297 8.692 8.911 1.00 0.00 C ATOM 883 CZ2 TRP A 52 15.492 9.724 6.287 1.00 0.00 C ATOM 884 CZ3 TRP A 52 16.515 8.798 8.267 1.00 0.00 C ATOM 885 CH2 TRP A 52 16.605 9.311 6.967 1.00 0.00 C ATOM 0 H TRP A 52 12.010 11.604 11.168 1.00 0.00 H new ATOM 0 HA TRP A 52 10.824 10.397 9.731 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.925 8.430 10.574 1.00 0.00 H new ATOM 0 HB3 TRP A 52 11.545 7.800 9.697 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.037 9.820 7.434 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.775 10.344 5.592 1.00 0.00 H new ATOM 0 HE3 TRP A 52 15.238 8.297 9.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 15.564 10.119 5.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 17.413 8.480 8.775 1.00 0.00 H new ATOM 0 HH2 TRP A 52 17.572 9.382 6.492 1.00 0.00 H new ATOM 896 N GLY A 53 8.881 9.249 10.733 1.00 0.00 N ATOM 897 CA GLY A 53 7.715 8.655 11.362 1.00 0.00 C ATOM 898 C GLY A 53 7.758 7.140 11.348 1.00 0.00 C ATOM 899 O GLY A 53 8.829 6.543 11.240 1.00 0.00 O ATOM 0 H GLY A 53 8.687 9.772 9.879 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.644 9.004 12.392 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.816 8.995 10.848 1.00 0.00 H new ATOM 903 N GLY A 54 6.590 6.515 11.460 1.00 0.00 N ATOM 904 CA GLY A 54 6.521 5.066 11.459 1.00 0.00 C ATOM 905 C GLY A 54 5.096 4.552 11.388 1.00 0.00 C ATOM 906 O GLY A 54 4.150 5.287 11.668 1.00 0.00 O ATOM 0 H GLY A 54 5.690 6.987 11.551 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.086 4.679 10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.998 4.682 12.361 1.00 0.00 H new ATOM 910 N GLY A 55 4.943 3.286 11.011 1.00 0.00 N ATOM 911 CA GLY A 55 3.621 2.696 10.912 1.00 0.00 C ATOM 912 C GLY A 55 3.508 1.393 11.677 1.00 0.00 C ATOM 913 O GLY A 55 4.489 0.662 11.822 1.00 0.00 O ATOM 0 H GLY A 55 5.711 2.659 10.772 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.882 3.402 11.292 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.383 2.519 9.863 1.00 0.00 H new ATOM 917 N PHE A 56 2.308 1.100 12.169 1.00 0.00 N ATOM 918 CA PHE A 56 2.070 -0.124 12.925 1.00 0.00 C ATOM 919 C PHE A 56 0.621 -0.578 12.781 1.00 0.00 C ATOM 920 O PHE A 56 -0.306 0.225 12.889 1.00 0.00 O ATOM 921 CB PHE A 56 2.410 0.091 14.401 1.00 0.00 C ATOM 922 CG PHE A 56 3.351 -0.940 14.957 1.00 0.00 C ATOM 923 CD1 PHE A 56 3.137 -2.289 14.725 1.00 0.00 C ATOM 924 CD2 PHE A 56 4.450 -0.560 15.711 1.00 0.00 C ATOM 925 CE1 PHE A 56 4.002 -3.239 15.234 1.00 0.00 C ATOM 926 CE2 PHE A 56 5.317 -1.505 16.223 1.00 0.00 C ATOM 927 CZ PHE A 56 5.093 -2.846 15.984 1.00 0.00 C ATOM 0 H PHE A 56 1.486 1.693 12.058 1.00 0.00 H new ATOM 0 HA PHE A 56 2.716 -0.904 12.522 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.854 1.079 14.523 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.488 0.081 14.983 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.285 -2.602 14.140 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.631 0.488 15.900 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.825 -4.288 15.045 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.169 -1.195 16.810 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.770 -3.587 16.383 1.00 0.00 H new ATOM 937 N GLY A 57 0.432 -1.871 12.538 1.00 0.00 N ATOM 938 CA GLY A 57 -0.908 -2.408 12.384 1.00 0.00 C ATOM 939 C GLY A 57 -0.931 -3.924 12.401 1.00 0.00 C ATOM 940 O GLY A 57 0.026 -4.561 12.843 1.00 0.00 O ATOM 0 H GLY A 57 1.182 -2.556 12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.542 -2.029 13.185 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.333 -2.052 11.446 1.00 0.00 H new ATOM 944 N LEU A 58 -2.025 -4.503 11.919 1.00 0.00 N ATOM 945 CA LEU A 58 -2.170 -5.954 11.881 1.00 0.00 C ATOM 946 C LEU A 58 -2.626 -6.419 10.502 1.00 0.00 C ATOM 947 O LEU A 58 -2.860 -5.606 9.608 1.00 0.00 O ATOM 948 CB LEU A 58 -3.168 -6.416 12.945 1.00 0.00 C ATOM 949 CG LEU A 58 -4.605 -5.937 12.734 1.00 0.00 C ATOM 950 CD1 LEU A 58 -5.576 -6.802 13.524 1.00 0.00 C ATOM 951 CD2 LEU A 58 -4.743 -4.475 13.134 1.00 0.00 C ATOM 0 H LEU A 58 -2.825 -3.990 11.549 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.196 -6.397 12.090 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.165 -7.506 12.976 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.824 -6.069 13.919 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.848 -6.028 11.675 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.594 -6.447 13.362 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.495 -7.837 13.191 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.335 -6.743 14.585 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.772 -4.150 12.977 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.482 -4.359 14.186 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.074 -3.867 12.525 1.00 0.00 H new ATOM 963 N SER A 59 -2.752 -7.731 10.337 1.00 0.00 N ATOM 964 CA SER A 59 -3.182 -8.304 9.067 1.00 0.00 C ATOM 965 C SER A 59 -4.147 -9.464 9.291 1.00 0.00 C ATOM 966 O SER A 59 -4.253 -9.993 10.397 1.00 0.00 O ATOM 967 CB SER A 59 -1.970 -8.783 8.265 1.00 0.00 C ATOM 968 OG SER A 59 -1.024 -7.741 8.099 1.00 0.00 O ATOM 0 H SER A 59 -2.562 -8.418 11.067 1.00 0.00 H new ATOM 0 HA SER A 59 -3.700 -7.528 8.504 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.502 -9.625 8.775 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.295 -9.142 7.289 1.00 0.00 H new ATOM 0 HG SER A 59 -0.512 -7.629 8.927 1.00 0.00 H new ATOM 974 N ARG A 60 -4.851 -9.854 8.232 1.00 0.00 N ATOM 975 CA ARG A 60 -5.808 -10.952 8.314 1.00 0.00 C ATOM 976 C ARG A 60 -6.053 -11.564 6.938 1.00 0.00 C ATOM 977 O ARG A 60 -6.215 -10.849 5.950 1.00 0.00 O ATOM 978 CB ARG A 60 -7.130 -10.460 8.907 1.00 0.00 C ATOM 979 CG ARG A 60 -7.117 -10.362 10.424 1.00 0.00 C ATOM 980 CD ARG A 60 -8.525 -10.272 10.991 1.00 0.00 C ATOM 981 NE ARG A 60 -8.716 -9.065 11.793 1.00 0.00 N ATOM 982 CZ ARG A 60 -8.931 -7.858 11.275 1.00 0.00 C ATOM 983 NH1 ARG A 60 -8.984 -7.692 9.960 1.00 0.00 N ATOM 984 NH2 ARG A 60 -9.095 -6.813 12.075 1.00 0.00 N ATOM 0 H ARG A 60 -4.777 -9.427 7.309 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.388 -11.719 8.964 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.364 -9.480 8.490 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.929 -11.135 8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.611 -11.233 10.841 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.545 -9.485 10.728 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.246 -10.282 10.174 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.726 -11.150 11.604 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.683 -9.153 12.809 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.860 -8.492 9.340 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.149 -6.764 9.569 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.056 -6.934 13.087 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.260 -5.888 11.678 1.00 0.00 H new ATOM 998 N TRP A 61 -6.076 -12.892 6.883 1.00 0.00 N ATOM 999 CA TRP A 61 -6.302 -13.600 5.628 1.00 0.00 C ATOM 1000 C TRP A 61 -7.685 -14.242 5.608 1.00 0.00 C ATOM 1001 O TRP A 61 -8.085 -14.908 6.562 1.00 0.00 O ATOM 1002 CB TRP A 61 -5.227 -14.669 5.421 1.00 0.00 C ATOM 1003 CG TRP A 61 -5.235 -15.730 6.478 1.00 0.00 C ATOM 1004 CD1 TRP A 61 -4.768 -15.618 7.756 1.00 0.00 C ATOM 1005 CD2 TRP A 61 -5.731 -17.067 6.348 1.00 0.00 C ATOM 1006 NE1 TRP A 61 -4.944 -16.802 8.429 1.00 0.00 N ATOM 1007 CE2 TRP A 61 -5.534 -17.708 7.586 1.00 0.00 C ATOM 1008 CE3 TRP A 61 -6.325 -17.786 5.305 1.00 0.00 C ATOM 1009 CZ2 TRP A 61 -5.909 -19.031 7.808 1.00 0.00 C ATOM 1010 CZ3 TRP A 61 -6.697 -19.098 5.528 1.00 0.00 C ATOM 1011 CH2 TRP A 61 -6.487 -19.709 6.770 1.00 0.00 C ATOM 0 H TRP A 61 -5.941 -13.499 7.692 1.00 0.00 H new ATOM 0 HA TRP A 61 -6.246 -12.876 4.815 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -5.371 -15.136 4.447 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -4.248 -14.191 5.403 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -4.325 -14.728 8.177 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.679 -16.979 9.398 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.490 -17.324 4.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -5.749 -19.505 8.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -7.158 -19.662 4.730 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -6.787 -20.737 6.911 1.00 0.00 H new ATOM 1022 N ASP A 62 -8.413 -14.035 4.514 1.00 0.00 N ATOM 1023 CA ASP A 62 -9.752 -14.594 4.371 1.00 0.00 C ATOM 1024 C ASP A 62 -9.732 -15.843 3.498 1.00 0.00 C ATOM 1025 O ASP A 62 -9.144 -15.847 2.415 1.00 0.00 O ATOM 1026 CB ASP A 62 -10.700 -13.554 3.773 1.00 0.00 C ATOM 1027 CG ASP A 62 -12.137 -13.763 4.209 1.00 0.00 C ATOM 1028 OD1 ASP A 62 -12.875 -12.761 4.323 1.00 0.00 O ATOM 1029 OD2 ASP A 62 -12.525 -14.928 4.436 1.00 0.00 O ATOM 0 H ASP A 62 -8.098 -13.485 3.715 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.109 -14.873 5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.375 -12.557 4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.643 -13.598 2.685 1.00 0.00 H new ATOM 1035 N GLU A 63 -10.380 -16.902 3.976 1.00 0.00 N ATOM 1036 CA GLU A 63 -10.442 -18.165 3.245 1.00 0.00 C ATOM 1037 C GLU A 63 -10.987 -17.963 1.834 1.00 0.00 C ATOM 1038 O GLU A 63 -10.743 -18.779 0.944 1.00 0.00 O ATOM 1039 CB GLU A 63 -11.314 -19.170 4.001 1.00 0.00 C ATOM 1040 CG GLU A 63 -12.770 -18.748 4.114 1.00 0.00 C ATOM 1041 CD GLU A 63 -13.626 -19.305 2.993 1.00 0.00 C ATOM 1042 OE1 GLU A 63 -14.177 -20.413 3.160 1.00 0.00 O ATOM 1043 OE2 GLU A 63 -13.747 -18.630 1.948 1.00 0.00 O ATOM 0 H GLU A 63 -10.871 -16.910 4.870 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.427 -18.555 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.262 -20.135 3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.907 -19.311 5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.169 -19.083 5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.831 -17.660 4.107 1.00 0.00 H new ATOM 1051 N LYS A 64 -11.724 -16.874 1.630 1.00 0.00 N ATOM 1052 CA LYS A 64 -12.299 -16.574 0.323 1.00 0.00 C ATOM 1053 C LYS A 64 -11.370 -15.679 -0.495 1.00 0.00 C ATOM 1054 O LYS A 64 -11.821 -14.941 -1.371 1.00 0.00 O ATOM 1055 CB LYS A 64 -13.661 -15.898 0.488 1.00 0.00 C ATOM 1056 CG LYS A 64 -14.507 -15.920 -0.774 1.00 0.00 C ATOM 1057 CD LYS A 64 -15.341 -17.188 -0.863 1.00 0.00 C ATOM 1058 CE LYS A 64 -15.567 -17.607 -2.307 1.00 0.00 C ATOM 1059 NZ LYS A 64 -16.867 -17.107 -2.833 1.00 0.00 N ATOM 0 H LYS A 64 -11.936 -16.186 2.352 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.427 -17.515 -0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.208 -16.392 1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.509 -14.863 0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.163 -15.050 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.860 -15.846 -1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.840 -17.992 -0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.302 -17.027 -0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.755 -17.227 -2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.541 -18.694 -2.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.983 -17.414 -3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.644 -17.489 -2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.883 -16.068 -2.789 1.00 0.00 H new ATOM 1073 N GLY A 65 -10.073 -15.749 -0.207 1.00 0.00 N ATOM 1074 CA GLY A 65 -9.109 -14.940 -0.930 1.00 0.00 C ATOM 1075 C GLY A 65 -9.288 -13.458 -0.674 1.00 0.00 C ATOM 1076 O GLY A 65 -9.404 -12.669 -1.611 1.00 0.00 O ATOM 0 H GLY A 65 -9.674 -16.351 0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.101 -15.236 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.204 -15.135 -1.998 1.00 0.00 H new ATOM 1080 N ASN A 66 -9.312 -13.076 0.599 1.00 0.00 N ATOM 1081 CA ASN A 66 -9.479 -11.675 0.971 1.00 0.00 C ATOM 1082 C ASN A 66 -8.445 -11.261 2.014 1.00 0.00 C ATOM 1083 O ASN A 66 -8.579 -11.575 3.196 1.00 0.00 O ATOM 1084 CB ASN A 66 -10.892 -11.434 1.511 1.00 0.00 C ATOM 1085 CG ASN A 66 -11.517 -10.174 0.946 1.00 0.00 C ATOM 1086 OD1 ASN A 66 -12.393 -10.235 0.083 1.00 0.00 O ATOM 1087 ND2 ASN A 66 -11.069 -9.022 1.431 1.00 0.00 N ATOM 0 H ASN A 66 -9.218 -13.715 1.389 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.330 -11.068 0.078 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.522 -12.290 1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.856 -11.363 2.598 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.452 -8.141 1.089 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.341 -9.018 2.146 1.00 0.00 H new ATOM 1094 N TRP A 67 -7.414 -10.552 1.566 1.00 0.00 N ATOM 1095 CA TRP A 67 -6.356 -10.092 2.459 1.00 0.00 C ATOM 1096 C TRP A 67 -6.703 -8.734 3.059 1.00 0.00 C ATOM 1097 O TRP A 67 -6.635 -7.709 2.381 1.00 0.00 O ATOM 1098 CB TRP A 67 -5.025 -10.007 1.709 1.00 0.00 C ATOM 1099 CG TRP A 67 -3.835 -9.953 2.617 1.00 0.00 C ATOM 1100 CD1 TRP A 67 -3.695 -9.194 3.743 1.00 0.00 C ATOM 1101 CD2 TRP A 67 -2.613 -10.688 2.475 1.00 0.00 C ATOM 1102 NE1 TRP A 67 -2.463 -9.413 4.311 1.00 0.00 N ATOM 1103 CE2 TRP A 67 -1.781 -10.326 3.550 1.00 0.00 C ATOM 1104 CE3 TRP A 67 -2.144 -11.618 1.542 1.00 0.00 C ATOM 1105 CZ2 TRP A 67 -0.506 -10.861 3.717 1.00 0.00 C ATOM 1106 CZ3 TRP A 67 -0.879 -12.148 1.710 1.00 0.00 C ATOM 1107 CH2 TRP A 67 -0.072 -11.769 2.791 1.00 0.00 C ATOM 0 H TRP A 67 -7.288 -10.283 0.590 1.00 0.00 H new ATOM 0 HA TRP A 67 -6.261 -10.814 3.270 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.932 -10.870 1.050 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.030 -9.121 1.074 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -4.444 -8.519 4.131 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.113 -8.969 5.160 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.759 -11.916 0.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.118 -10.569 4.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.506 -12.867 0.996 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.912 -12.202 2.895 1.00 0.00 H new ATOM 1118 N HIS A 68 -7.078 -8.734 4.335 1.00 0.00 N ATOM 1119 CA HIS A 68 -7.436 -7.502 5.027 1.00 0.00 C ATOM 1120 C HIS A 68 -6.246 -6.954 5.810 1.00 0.00 C ATOM 1121 O HIS A 68 -5.648 -7.659 6.622 1.00 0.00 O ATOM 1122 CB HIS A 68 -8.615 -7.747 5.971 1.00 0.00 C ATOM 1123 CG HIS A 68 -9.612 -6.630 5.988 1.00 0.00 C ATOM 1124 ND1 HIS A 68 -9.935 -5.894 4.868 1.00 0.00 N ATOM 1125 CD2 HIS A 68 -10.360 -6.126 6.997 1.00 0.00 C ATOM 1126 CE1 HIS A 68 -10.838 -4.983 5.188 1.00 0.00 C ATOM 1127 NE2 HIS A 68 -11.113 -5.105 6.473 1.00 0.00 N ATOM 0 H HIS A 68 -7.142 -9.574 4.910 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.727 -6.764 4.279 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -9.119 -8.668 5.678 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -8.235 -7.899 6.981 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -10.364 -6.464 8.023 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.276 -4.262 4.513 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -11.778 -4.533 6.993 1.00 0.00 H new ATOM 1136 N GLY A 69 -5.910 -5.693 5.559 1.00 0.00 N ATOM 1137 CA GLY A 69 -4.792 -5.074 6.248 1.00 0.00 C ATOM 1138 C GLY A 69 -5.130 -3.695 6.781 1.00 0.00 C ATOM 1139 O GLY A 69 -5.727 -2.879 6.079 1.00 0.00 O ATOM 0 H GLY A 69 -6.391 -5.089 4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.480 -5.713 7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.945 -4.999 5.566 1.00 0.00 H new ATOM 1143 N LEU A 70 -4.745 -3.435 8.026 1.00 0.00 N ATOM 1144 CA LEU A 70 -5.008 -2.145 8.655 1.00 0.00 C ATOM 1145 C LEU A 70 -3.765 -1.627 9.370 1.00 0.00 C ATOM 1146 O LEU A 70 -3.311 -2.214 10.352 1.00 0.00 O ATOM 1147 CB LEU A 70 -6.170 -2.263 9.643 1.00 0.00 C ATOM 1148 CG LEU A 70 -6.616 -0.944 10.277 1.00 0.00 C ATOM 1149 CD1 LEU A 70 -8.120 -0.945 10.506 1.00 0.00 C ATOM 1150 CD2 LEU A 70 -5.876 -0.705 11.585 1.00 0.00 C ATOM 0 H LEU A 70 -4.250 -4.100 8.620 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.278 -1.435 7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.022 -2.707 9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.883 -2.952 10.437 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.373 -0.132 9.592 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.420 0.001 10.958 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.633 -1.071 9.553 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.386 -1.766 11.172 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.205 0.237 12.022 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.088 -1.520 12.277 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.804 -0.661 11.394 1.00 0.00 H new ATOM 1162 N TYR A 71 -3.217 -0.524 8.871 1.00 0.00 N ATOM 1163 CA TYR A 71 -2.026 0.074 9.461 1.00 0.00 C ATOM 1164 C TYR A 71 -2.253 1.551 9.768 1.00 0.00 C ATOM 1165 O TYR A 71 -3.021 2.226 9.085 1.00 0.00 O ATOM 1166 CB TYR A 71 -0.830 -0.085 8.521 1.00 0.00 C ATOM 1167 CG TYR A 71 -0.711 -1.469 7.923 1.00 0.00 C ATOM 1168 CD1 TYR A 71 -0.392 -2.565 8.714 1.00 0.00 C ATOM 1169 CD2 TYR A 71 -0.918 -1.679 6.565 1.00 0.00 C ATOM 1170 CE1 TYR A 71 -0.282 -3.831 8.171 1.00 0.00 C ATOM 1171 CE2 TYR A 71 -0.811 -2.942 6.014 1.00 0.00 C ATOM 1172 CZ TYR A 71 -0.493 -4.014 6.821 1.00 0.00 C ATOM 1173 OH TYR A 71 -0.385 -5.273 6.276 1.00 0.00 O ATOM 0 H TYR A 71 -3.580 -0.026 8.058 1.00 0.00 H new ATOM 0 HA TYR A 71 -1.816 -0.445 10.396 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -0.912 0.644 7.715 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.084 0.146 9.068 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.227 -2.425 9.772 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.167 -0.842 5.930 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.032 -4.672 8.801 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.976 -3.089 4.957 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.599 -5.944 6.957 1.00 0.00 H new ATOM 1183 N ALA A 72 -1.578 2.045 10.801 1.00 0.00 N ATOM 1184 CA ALA A 72 -1.706 3.443 11.198 1.00 0.00 C ATOM 1185 C ALA A 72 -0.339 4.108 11.310 1.00 0.00 C ATOM 1186 O ALA A 72 0.437 3.806 12.218 1.00 0.00 O ATOM 1187 CB ALA A 72 -2.457 3.549 12.517 1.00 0.00 C ATOM 0 H ALA A 72 -0.938 1.499 11.378 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.273 3.965 10.427 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.546 4.597 12.802 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.452 3.118 12.405 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.912 3.008 13.290 1.00 0.00 H new ATOM 1193 N MET A 73 -0.050 5.015 10.384 1.00 0.00 N ATOM 1194 CA MET A 73 1.224 5.724 10.380 1.00 0.00 C ATOM 1195 C MET A 73 1.115 7.046 11.134 1.00 0.00 C ATOM 1196 O MET A 73 0.019 7.488 11.475 1.00 0.00 O ATOM 1197 CB MET A 73 1.685 5.980 8.943 1.00 0.00 C ATOM 1198 CG MET A 73 3.193 6.102 8.801 1.00 0.00 C ATOM 1199 SD MET A 73 3.763 5.748 7.128 1.00 0.00 S ATOM 1200 CE MET A 73 5.480 5.341 7.434 1.00 0.00 C ATOM 0 H MET A 73 -0.681 5.277 9.626 1.00 0.00 H new ATOM 0 HA MET A 73 1.960 5.098 10.885 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.333 5.168 8.307 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.219 6.895 8.578 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.500 7.110 9.080 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.676 5.417 9.498 1.00 0.00 H new ATOM 0 HE1 MET A 73 5.918 4.912 6.533 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.025 6.244 7.708 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.543 4.618 8.247 1.00 0.00 H new ATOM 1210 N ALA A 74 2.259 7.670 11.391 1.00 0.00 N ATOM 1211 CA ALA A 74 2.294 8.940 12.106 1.00 0.00 C ATOM 1212 C ALA A 74 3.548 9.732 11.755 1.00 0.00 C ATOM 1213 O ALA A 74 4.641 9.173 11.663 1.00 0.00 O ATOM 1214 CB ALA A 74 2.217 8.703 13.606 1.00 0.00 C ATOM 0 H ALA A 74 3.175 7.317 11.115 1.00 0.00 H new ATOM 0 HA ALA A 74 1.429 9.527 11.799 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.244 9.660 14.127 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.288 8.186 13.845 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.064 8.094 13.922 1.00 0.00 H new ATOM 1220 N PHE A 75 3.383 11.037 11.561 1.00 0.00 N ATOM 1221 CA PHE A 75 4.504 11.905 11.220 1.00 0.00 C ATOM 1222 C PHE A 75 4.762 12.923 12.328 1.00 0.00 C ATOM 1223 O PHE A 75 3.998 13.872 12.502 1.00 0.00 O ATOM 1224 CB PHE A 75 4.233 12.630 9.901 1.00 0.00 C ATOM 1225 CG PHE A 75 5.469 13.198 9.263 1.00 0.00 C ATOM 1226 CD1 PHE A 75 5.955 14.437 9.647 1.00 0.00 C ATOM 1227 CD2 PHE A 75 6.144 12.492 8.280 1.00 0.00 C ATOM 1228 CE1 PHE A 75 7.092 14.962 9.062 1.00 0.00 C ATOM 1229 CE2 PHE A 75 7.282 13.012 7.691 1.00 0.00 C ATOM 1230 CZ PHE A 75 7.756 14.249 8.083 1.00 0.00 C ATOM 0 H PHE A 75 2.485 11.516 11.634 1.00 0.00 H new ATOM 0 HA PHE A 75 5.391 11.282 11.109 1.00 0.00 H new ATOM 0 HB2 PHE A 75 3.761 11.937 9.205 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.522 13.437 10.079 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.440 14.999 10.412 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.777 11.525 7.970 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.461 15.929 9.370 1.00 0.00 H new ATOM 0 HE2 PHE A 75 7.799 12.452 6.926 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.644 14.658 7.625 1.00 0.00 H new ATOM 1240 N LYS A 76 5.844 12.717 13.073 1.00 0.00 N ATOM 1241 CA LYS A 76 6.203 13.617 14.163 1.00 0.00 C ATOM 1242 C LYS A 76 7.112 14.736 13.666 1.00 0.00 C ATOM 1243 O LYS A 76 8.263 14.499 13.303 1.00 0.00 O ATOM 1244 CB LYS A 76 6.896 12.841 15.285 1.00 0.00 C ATOM 1245 CG LYS A 76 6.937 13.590 16.607 1.00 0.00 C ATOM 1246 CD LYS A 76 8.196 14.433 16.730 1.00 0.00 C ATOM 1247 CE LYS A 76 8.241 15.175 18.057 1.00 0.00 C ATOM 1248 NZ LYS A 76 7.308 16.335 18.077 1.00 0.00 N ATOM 0 H LYS A 76 6.486 11.936 12.942 1.00 0.00 H new ATOM 0 HA LYS A 76 5.287 14.063 14.551 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.381 11.892 15.431 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.915 12.607 14.978 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.059 14.231 16.691 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.892 12.878 17.431 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.074 13.793 16.639 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.237 15.149 15.910 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.985 14.490 18.865 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.257 15.523 18.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.644 17.039 18.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.270 16.766 17.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.358 16.011 18.348 1.00 0.00 H new ATOM 1262 N ASP A 77 6.586 15.957 13.653 1.00 0.00 N ATOM 1263 CA ASP A 77 7.350 17.113 13.200 1.00 0.00 C ATOM 1264 C ASP A 77 7.605 18.083 14.349 1.00 0.00 C ATOM 1265 O ASP A 77 6.814 18.172 15.288 1.00 0.00 O ATOM 1266 CB ASP A 77 6.611 17.828 12.068 1.00 0.00 C ATOM 1267 CG ASP A 77 7.554 18.364 11.008 1.00 0.00 C ATOM 1268 OD1 ASP A 77 7.297 19.470 10.489 1.00 0.00 O ATOM 1269 OD2 ASP A 77 8.551 17.677 10.699 1.00 0.00 O ATOM 0 H ASP A 77 5.634 16.171 13.951 1.00 0.00 H new ATOM 0 HA ASP A 77 8.311 16.758 12.829 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.905 17.138 11.606 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.028 18.651 12.481 1.00 0.00 H new ATOM 1275 N SER A 78 8.716 18.808 14.267 1.00 0.00 N ATOM 1276 CA SER A 78 9.078 19.773 15.300 1.00 0.00 C ATOM 1277 C SER A 78 8.393 21.118 15.062 1.00 0.00 C ATOM 1278 O SER A 78 8.317 21.952 15.965 1.00 0.00 O ATOM 1279 CB SER A 78 10.596 19.961 15.339 1.00 0.00 C ATOM 1280 OG SER A 78 11.008 20.526 16.573 1.00 0.00 O ATOM 0 H SER A 78 9.381 18.746 13.496 1.00 0.00 H new ATOM 0 HA SER A 78 8.739 19.382 16.259 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.089 19.000 15.193 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.907 20.607 14.518 1.00 0.00 H new ATOM 0 HG SER A 78 10.370 21.219 16.845 1.00 0.00 H new ATOM 1286 N TRP A 79 7.897 21.326 13.843 1.00 0.00 N ATOM 1287 CA TRP A 79 7.221 22.571 13.494 1.00 0.00 C ATOM 1288 C TRP A 79 6.106 22.889 14.485 1.00 0.00 C ATOM 1289 O TRP A 79 6.169 23.883 15.208 1.00 0.00 O ATOM 1290 CB TRP A 79 6.648 22.482 12.077 1.00 0.00 C ATOM 1291 CG TRP A 79 7.578 23.003 11.024 1.00 0.00 C ATOM 1292 CD1 TRP A 79 8.938 23.090 11.100 1.00 0.00 C ATOM 1293 CD2 TRP A 79 7.216 23.509 9.735 1.00 0.00 C ATOM 1294 NE1 TRP A 79 9.443 23.619 9.937 1.00 0.00 N ATOM 1295 CE2 TRP A 79 8.405 23.885 9.083 1.00 0.00 C ATOM 1296 CE3 TRP A 79 5.999 23.681 9.066 1.00 0.00 C ATOM 1297 CZ2 TRP A 79 8.414 24.422 7.798 1.00 0.00 C ATOM 1298 CZ3 TRP A 79 6.010 24.214 7.791 1.00 0.00 C ATOM 1299 CH2 TRP A 79 7.210 24.578 7.169 1.00 0.00 C ATOM 0 H TRP A 79 7.951 20.648 13.083 1.00 0.00 H new ATOM 0 HA TRP A 79 7.955 23.375 13.536 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.407 21.442 11.856 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.714 23.042 12.035 1.00 0.00 H new ATOM 0 HD1 TRP A 79 9.531 22.787 11.950 1.00 0.00 H new ATOM 0 HE1 TRP A 79 10.430 23.786 9.741 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.068 23.402 9.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 9.338 24.705 7.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 5.077 24.352 7.265 1.00 0.00 H new ATOM 0 HH2 TRP A 79 7.184 24.991 6.171 1.00 0.00 H new ATOM 1310 N ASN A 80 5.085 22.039 14.513 1.00 0.00 N ATOM 1311 CA ASN A 80 3.956 22.229 15.416 1.00 0.00 C ATOM 1312 C ASN A 80 3.677 20.961 16.217 1.00 0.00 C ATOM 1313 O ASN A 80 4.014 20.876 17.398 1.00 0.00 O ATOM 1314 CB ASN A 80 2.709 22.634 14.627 1.00 0.00 C ATOM 1315 CG ASN A 80 2.548 24.139 14.529 1.00 0.00 C ATOM 1316 OD1 ASN A 80 3.306 24.810 13.828 1.00 0.00 O ATOM 1317 ND2 ASN A 80 1.559 24.675 15.232 1.00 0.00 N ATOM 0 H ASN A 80 5.016 21.212 13.920 1.00 0.00 H new ATOM 0 HA ASN A 80 4.212 23.026 16.114 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.765 22.212 13.624 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.827 22.208 15.104 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.402 25.682 15.205 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.956 24.080 15.799 1.00 0.00 H new ATOM 1324 N LYS A 81 3.060 19.980 15.568 1.00 0.00 N ATOM 1325 CA LYS A 81 2.736 18.717 16.221 1.00 0.00 C ATOM 1326 C LYS A 81 2.655 17.583 15.204 1.00 0.00 C ATOM 1327 O LYS A 81 2.653 17.818 13.996 1.00 0.00 O ATOM 1328 CB LYS A 81 1.411 18.835 16.977 1.00 0.00 C ATOM 1329 CG LYS A 81 1.354 17.995 18.241 1.00 0.00 C ATOM 1330 CD LYS A 81 0.431 16.797 18.077 1.00 0.00 C ATOM 1331 CE LYS A 81 -1.028 17.190 18.250 1.00 0.00 C ATOM 1332 NZ LYS A 81 -1.942 16.263 17.529 1.00 0.00 N ATOM 0 H LYS A 81 2.774 20.035 14.590 1.00 0.00 H new ATOM 0 HA LYS A 81 3.532 18.489 16.930 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.243 19.880 17.238 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.597 18.537 16.316 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.356 17.650 18.495 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.008 18.610 19.072 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.576 16.357 17.090 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.692 16.032 18.808 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.279 17.195 19.311 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.177 18.205 17.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.763 16.793 17.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.437 15.828 16.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.266 15.519 18.180 1.00 0.00 H new ATOM 1346 N TRP A 82 2.586 16.353 15.702 1.00 0.00 N ATOM 1347 CA TRP A 82 2.502 15.182 14.837 1.00 0.00 C ATOM 1348 C TRP A 82 1.126 15.085 14.187 1.00 0.00 C ATOM 1349 O TRP A 82 0.130 15.539 14.749 1.00 0.00 O ATOM 1350 CB TRP A 82 2.793 13.909 15.634 1.00 0.00 C ATOM 1351 CG TRP A 82 1.941 13.768 16.858 1.00 0.00 C ATOM 1352 CD1 TRP A 82 2.320 13.988 18.151 1.00 0.00 C ATOM 1353 CD2 TRP A 82 0.564 13.374 16.904 1.00 0.00 C ATOM 1354 NE1 TRP A 82 1.264 13.755 18.998 1.00 0.00 N ATOM 1355 CE2 TRP A 82 0.175 13.377 18.256 1.00 0.00 C ATOM 1356 CE3 TRP A 82 -0.377 13.020 15.933 1.00 0.00 C ATOM 1357 CZ2 TRP A 82 -1.114 13.040 18.661 1.00 0.00 C ATOM 1358 CZ3 TRP A 82 -1.657 12.686 16.336 1.00 0.00 C ATOM 1359 CH2 TRP A 82 -2.015 12.698 17.690 1.00 0.00 C ATOM 0 H TRP A 82 2.587 16.141 16.700 1.00 0.00 H new ATOM 0 HA TRP A 82 3.250 15.288 14.051 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.639 13.043 14.991 1.00 0.00 H new ATOM 0 HB3 TRP A 82 3.843 13.905 15.928 1.00 0.00 H new ATOM 0 HD1 TRP A 82 3.306 14.300 18.462 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.286 13.848 20.013 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -0.109 13.008 14.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.392 13.048 19.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -2.393 12.411 15.595 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.023 12.432 17.973 1.00 0.00 H new ATOM 1370 N GLU A 83 1.077 14.492 12.999 1.00 0.00 N ATOM 1371 CA GLU A 83 -0.178 14.337 12.274 1.00 0.00 C ATOM 1372 C GLU A 83 -0.547 12.860 12.130 1.00 0.00 C ATOM 1373 O GLU A 83 0.243 12.063 11.625 1.00 0.00 O ATOM 1374 CB GLU A 83 -0.075 14.984 10.891 1.00 0.00 C ATOM 1375 CG GLU A 83 0.498 16.391 10.920 1.00 0.00 C ATOM 1376 CD GLU A 83 -0.566 17.457 10.740 1.00 0.00 C ATOM 1377 OE1 GLU A 83 -0.631 18.378 11.582 1.00 0.00 O ATOM 1378 OE2 GLU A 83 -1.333 17.371 9.758 1.00 0.00 O ATOM 0 H GLU A 83 1.892 14.111 12.518 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.962 14.835 12.845 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.549 14.359 10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.066 15.013 10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.011 16.551 11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.245 16.492 10.133 1.00 0.00 H new ATOM 1386 N PRO A 84 -1.757 12.472 12.576 1.00 0.00 N ATOM 1387 CA PRO A 84 -2.218 11.085 12.492 1.00 0.00 C ATOM 1388 C PRO A 84 -2.696 10.716 11.092 1.00 0.00 C ATOM 1389 O PRO A 84 -3.235 11.554 10.368 1.00 0.00 O ATOM 1390 CB PRO A 84 -3.382 11.050 13.480 1.00 0.00 C ATOM 1391 CG PRO A 84 -3.937 12.432 13.449 1.00 0.00 C ATOM 1392 CD PRO A 84 -2.769 13.351 13.197 1.00 0.00 C ATOM 0 HA PRO A 84 -1.424 10.373 12.715 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.131 10.315 13.186 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.046 10.779 14.481 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.687 12.532 12.665 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.427 12.675 14.392 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.043 14.174 12.537 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.401 13.793 14.123 1.00 0.00 H new ATOM 1400 N ILE A 85 -2.498 9.456 10.716 1.00 0.00 N ATOM 1401 CA ILE A 85 -2.911 8.978 9.403 1.00 0.00 C ATOM 1402 C ILE A 85 -3.128 7.467 9.414 1.00 0.00 C ATOM 1403 O ILE A 85 -2.199 6.697 9.654 1.00 0.00 O ATOM 1404 CB ILE A 85 -1.871 9.337 8.321 1.00 0.00 C ATOM 1405 CG1 ILE A 85 -2.387 8.951 6.933 1.00 0.00 C ATOM 1406 CG2 ILE A 85 -0.542 8.652 8.609 1.00 0.00 C ATOM 1407 CD1 ILE A 85 -3.044 10.096 6.194 1.00 0.00 C ATOM 0 H ILE A 85 -2.054 8.749 11.302 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.852 9.473 9.164 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.711 10.415 8.340 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.556 8.573 6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.103 8.136 7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.179 8.917 7.836 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.168 8.977 9.580 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.684 7.571 8.618 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.386 9.751 5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.896 10.459 6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.325 10.904 6.061 1.00 0.00 H new ATOM 1419 N ALA A 86 -4.363 7.050 9.152 1.00 0.00 N ATOM 1420 CA ALA A 86 -4.703 5.632 9.133 1.00 0.00 C ATOM 1421 C ALA A 86 -4.960 5.147 7.711 1.00 0.00 C ATOM 1422 O ALA A 86 -5.273 5.939 6.821 1.00 0.00 O ATOM 1423 CB ALA A 86 -5.918 5.369 10.011 1.00 0.00 C ATOM 0 H ALA A 86 -5.144 7.674 8.950 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.854 5.075 9.530 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.161 4.307 9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.698 5.668 11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.767 5.943 9.639 1.00 0.00 H new ATOM 1429 N GLY A 87 -4.827 3.842 7.504 1.00 0.00 N ATOM 1430 CA GLY A 87 -5.049 3.273 6.188 1.00 0.00 C ATOM 1431 C GLY A 87 -5.386 1.795 6.244 1.00 0.00 C ATOM 1432 O GLY A 87 -4.756 1.036 6.979 1.00 0.00 O ATOM 0 H GLY A 87 -4.569 3.167 8.224 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.861 3.809 5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.157 3.416 5.578 1.00 0.00 H new ATOM 1436 N TYR A 88 -6.383 1.389 5.465 1.00 0.00 N ATOM 1437 CA TYR A 88 -6.804 -0.007 5.430 1.00 0.00 C ATOM 1438 C TYR A 88 -7.521 -0.325 4.122 1.00 0.00 C ATOM 1439 O TYR A 88 -8.176 0.537 3.534 1.00 0.00 O ATOM 1440 CB TYR A 88 -7.720 -0.316 6.615 1.00 0.00 C ATOM 1441 CG TYR A 88 -8.865 0.660 6.768 1.00 0.00 C ATOM 1442 CD1 TYR A 88 -8.664 1.911 7.339 1.00 0.00 C ATOM 1443 CD2 TYR A 88 -10.145 0.331 6.341 1.00 0.00 C ATOM 1444 CE1 TYR A 88 -9.709 2.805 7.481 1.00 0.00 C ATOM 1445 CE2 TYR A 88 -11.194 1.221 6.477 1.00 0.00 C ATOM 1446 CZ TYR A 88 -10.970 2.456 7.048 1.00 0.00 C ATOM 1447 OH TYR A 88 -12.011 3.344 7.187 1.00 0.00 O ATOM 0 H TYR A 88 -6.914 2.006 4.850 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.913 -0.631 5.497 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.124 -1.321 6.498 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.128 -0.315 7.530 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.677 2.189 7.677 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.324 -0.636 5.895 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.538 3.773 7.929 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.183 0.951 6.138 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.832 2.944 6.831 1.00 0.00 H new ATOM 1457 N GLY A 89 -7.393 -1.568 3.670 1.00 0.00 N ATOM 1458 CA GLY A 89 -8.034 -1.979 2.434 1.00 0.00 C ATOM 1459 C GLY A 89 -7.881 -3.464 2.168 1.00 0.00 C ATOM 1460 O GLY A 89 -7.451 -4.217 3.041 1.00 0.00 O ATOM 0 H GLY A 89 -6.857 -2.299 4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.094 -1.728 2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.607 -1.418 1.603 1.00 0.00 H new ATOM 1464 N TRP A 90 -8.235 -3.885 0.958 1.00 0.00 N ATOM 1465 CA TRP A 90 -8.135 -5.290 0.579 1.00 0.00 C ATOM 1466 C TRP A 90 -6.987 -5.510 -0.400 1.00 0.00 C ATOM 1467 O TRP A 90 -6.645 -4.622 -1.181 1.00 0.00 O ATOM 1468 CB TRP A 90 -9.449 -5.766 -0.043 1.00 0.00 C ATOM 1469 CG TRP A 90 -9.856 -4.978 -1.250 1.00 0.00 C ATOM 1470 CD1 TRP A 90 -9.537 -5.246 -2.550 1.00 0.00 C ATOM 1471 CD2 TRP A 90 -10.658 -3.791 -1.269 1.00 0.00 C ATOM 1472 NE1 TRP A 90 -10.091 -4.299 -3.377 1.00 0.00 N ATOM 1473 CE2 TRP A 90 -10.784 -3.395 -2.614 1.00 0.00 C ATOM 1474 CE3 TRP A 90 -11.281 -3.025 -0.280 1.00 0.00 C ATOM 1475 CZ2 TRP A 90 -11.508 -2.267 -2.994 1.00 0.00 C ATOM 1476 CZ3 TRP A 90 -11.999 -1.906 -0.658 1.00 0.00 C ATOM 1477 CH2 TRP A 90 -12.108 -1.537 -2.004 1.00 0.00 C ATOM 0 H TRP A 90 -8.593 -3.274 0.224 1.00 0.00 H new ATOM 0 HA TRP A 90 -7.936 -5.870 1.480 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.352 -6.816 -0.319 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -10.239 -5.705 0.705 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.937 -6.081 -2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -10.001 -4.273 -4.393 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.203 -3.302 0.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -11.593 -1.979 -4.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -12.484 -1.306 0.098 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -12.678 -0.658 -2.267 1.00 0.00 H new ATOM 1488 N GLU A 91 -6.395 -6.698 -0.352 1.00 0.00 N ATOM 1489 CA GLU A 91 -5.283 -7.034 -1.236 1.00 0.00 C ATOM 1490 C GLU A 91 -5.387 -8.478 -1.717 1.00 0.00 C ATOM 1491 O GLU A 91 -5.839 -9.357 -0.983 1.00 0.00 O ATOM 1492 CB GLU A 91 -3.950 -6.819 -0.517 1.00 0.00 C ATOM 1493 CG GLU A 91 -2.791 -6.536 -1.458 1.00 0.00 C ATOM 1494 CD GLU A 91 -1.901 -7.746 -1.666 1.00 0.00 C ATOM 1495 OE1 GLU A 91 -1.671 -8.119 -2.836 1.00 0.00 O ATOM 1496 OE2 GLU A 91 -1.435 -8.321 -0.661 1.00 0.00 O ATOM 0 H GLU A 91 -6.665 -7.444 0.289 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.330 -6.377 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.053 -5.987 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.719 -7.705 0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.181 -6.207 -2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.195 -5.715 -1.058 1.00 0.00 H new ATOM 1504 N SER A 92 -4.966 -8.714 -2.955 1.00 0.00 N ATOM 1505 CA SER A 92 -5.010 -10.051 -3.536 1.00 0.00 C ATOM 1506 C SER A 92 -3.618 -10.504 -3.964 1.00 0.00 C ATOM 1507 O SER A 92 -3.099 -10.066 -4.990 1.00 0.00 O ATOM 1508 CB SER A 92 -5.958 -10.077 -4.736 1.00 0.00 C ATOM 1509 OG SER A 92 -5.607 -9.084 -5.686 1.00 0.00 O ATOM 0 H SER A 92 -4.590 -7.997 -3.575 1.00 0.00 H new ATOM 0 HA SER A 92 -5.379 -10.739 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.928 -11.060 -5.205 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.982 -9.916 -4.398 1.00 0.00 H new ATOM 0 HG SER A 92 -5.805 -8.197 -5.320 1.00 0.00 H new ATOM 1515 N THR A 93 -3.018 -11.385 -3.169 1.00 0.00 N ATOM 1516 CA THR A 93 -1.686 -11.899 -3.465 1.00 0.00 C ATOM 1517 C THR A 93 -1.742 -12.968 -4.551 1.00 0.00 C ATOM 1518 O THR A 93 -2.382 -14.007 -4.381 1.00 0.00 O ATOM 1519 CB THR A 93 -1.044 -12.471 -2.201 1.00 0.00 C ATOM 1520 OG1 THR A 93 0.284 -12.891 -2.458 1.00 0.00 O ATOM 1521 CG2 THR A 93 -1.797 -13.655 -1.631 1.00 0.00 C ATOM 0 H THR A 93 -3.434 -11.757 -2.315 1.00 0.00 H new ATOM 0 HA THR A 93 -1.078 -11.071 -3.829 1.00 0.00 H new ATOM 0 HB THR A 93 -1.068 -11.660 -1.473 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.678 -13.252 -1.636 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.289 -14.013 -0.736 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.812 -13.352 -1.375 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.833 -14.454 -2.371 1.00 0.00 H new ATOM 1529 N TRP A 94 -1.068 -12.709 -5.666 1.00 0.00 N ATOM 1530 CA TRP A 94 -1.040 -13.650 -6.780 1.00 0.00 C ATOM 1531 C TRP A 94 0.362 -14.218 -6.975 1.00 0.00 C ATOM 1532 O TRP A 94 1.354 -13.583 -6.619 1.00 0.00 O ATOM 1533 CB TRP A 94 -1.509 -12.966 -8.065 1.00 0.00 C ATOM 1534 CG TRP A 94 -2.996 -12.991 -8.245 1.00 0.00 C ATOM 1535 CD1 TRP A 94 -3.852 -11.932 -8.148 1.00 0.00 C ATOM 1536 CD2 TRP A 94 -3.803 -14.134 -8.551 1.00 0.00 C ATOM 1537 NE1 TRP A 94 -5.142 -12.346 -8.376 1.00 0.00 N ATOM 1538 CE2 TRP A 94 -5.138 -13.694 -8.626 1.00 0.00 C ATOM 1539 CE3 TRP A 94 -3.526 -15.486 -8.771 1.00 0.00 C ATOM 1540 CZ2 TRP A 94 -6.193 -14.557 -8.911 1.00 0.00 C ATOM 1541 CZ3 TRP A 94 -4.574 -16.343 -9.054 1.00 0.00 C ATOM 1542 CH2 TRP A 94 -5.893 -15.876 -9.121 1.00 0.00 C ATOM 0 H TRP A 94 -0.533 -11.855 -5.823 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.717 -14.472 -6.547 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -1.168 -11.931 -8.061 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -1.039 -13.453 -8.919 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -3.558 -10.917 -7.925 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -5.968 -11.748 -8.362 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -2.512 -15.855 -8.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -7.210 -14.199 -8.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -4.372 -17.390 -9.226 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -6.690 -16.571 -9.343 1.00 0.00 H new ATOM 1553 N ARG A 95 0.436 -15.418 -7.543 1.00 0.00 N ATOM 1554 CA ARG A 95 1.718 -16.070 -7.783 1.00 0.00 C ATOM 1555 C ARG A 95 2.048 -16.089 -9.276 1.00 0.00 C ATOM 1556 O ARG A 95 1.179 -16.353 -10.107 1.00 0.00 O ATOM 1557 CB ARG A 95 1.697 -17.499 -7.237 1.00 0.00 C ATOM 1558 CG ARG A 95 0.529 -18.328 -7.744 1.00 0.00 C ATOM 1559 CD ARG A 95 -0.649 -18.278 -6.785 1.00 0.00 C ATOM 1560 NE ARG A 95 -1.378 -19.542 -6.746 1.00 0.00 N ATOM 1561 CZ ARG A 95 -2.125 -20.000 -7.749 1.00 0.00 C ATOM 1562 NH1 ARG A 95 -2.242 -19.300 -8.870 1.00 0.00 N ATOM 1563 NH2 ARG A 95 -2.756 -21.160 -7.630 1.00 0.00 N ATOM 0 H ARG A 95 -0.375 -15.957 -7.845 1.00 0.00 H new ATOM 0 HA ARG A 95 2.490 -15.501 -7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.629 -17.996 -7.508 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.660 -17.462 -6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.219 -17.961 -8.722 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.847 -19.362 -7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.291 -18.035 -5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.326 -17.478 -7.085 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.311 -20.108 -5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.759 -18.407 -8.966 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.815 -19.655 -9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.669 -21.702 -6.770 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.328 -21.511 -8.398 1.00 0.00 H new ATOM 1577 N PRO A 96 3.314 -15.811 -9.638 1.00 0.00 N ATOM 1578 CA PRO A 96 3.748 -15.799 -11.037 1.00 0.00 C ATOM 1579 C PRO A 96 3.905 -17.206 -11.606 1.00 0.00 C ATOM 1580 O PRO A 96 3.472 -18.184 -10.997 1.00 0.00 O ATOM 1581 CB PRO A 96 5.102 -15.093 -10.975 1.00 0.00 C ATOM 1582 CG PRO A 96 5.623 -15.401 -9.614 1.00 0.00 C ATOM 1583 CD PRO A 96 4.419 -15.485 -8.713 1.00 0.00 C ATOM 0 HA PRO A 96 3.024 -15.309 -11.688 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.776 -15.459 -11.750 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.996 -14.019 -11.126 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.177 -16.340 -9.612 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.310 -14.625 -9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.542 -16.253 -7.950 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.242 -14.544 -8.192 1.00 0.00 H new ATOM 1591 N LEU A 97 4.529 -17.299 -12.776 1.00 0.00 N ATOM 1592 CA LEU A 97 4.744 -18.587 -13.427 1.00 0.00 C ATOM 1593 C LEU A 97 6.210 -19.000 -13.344 1.00 0.00 C ATOM 1594 O LEU A 97 7.108 -18.179 -13.527 1.00 0.00 O ATOM 1595 CB LEU A 97 4.299 -18.522 -14.890 1.00 0.00 C ATOM 1596 CG LEU A 97 3.477 -19.719 -15.370 1.00 0.00 C ATOM 1597 CD1 LEU A 97 2.620 -19.333 -16.566 1.00 0.00 C ATOM 1598 CD2 LEU A 97 4.389 -20.885 -15.719 1.00 0.00 C ATOM 0 H LEU A 97 4.894 -16.499 -13.292 1.00 0.00 H new ATOM 0 HA LEU A 97 4.146 -19.335 -12.907 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.712 -17.615 -15.035 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.184 -18.433 -15.520 1.00 0.00 H new ATOM 0 HG LEU A 97 2.816 -20.030 -14.561 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.042 -20.197 -16.894 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.941 -18.529 -16.283 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.262 -18.996 -17.380 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.788 -21.728 -16.059 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.075 -20.586 -16.512 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.959 -21.178 -14.837 1.00 0.00 H new ATOM 1610 N ALA A 98 6.445 -20.278 -13.064 1.00 0.00 N ATOM 1611 CA ALA A 98 7.801 -20.800 -12.955 1.00 0.00 C ATOM 1612 C ALA A 98 8.565 -20.112 -11.829 1.00 0.00 C ATOM 1613 O ALA A 98 9.783 -19.950 -11.900 1.00 0.00 O ATOM 1614 CB ALA A 98 8.539 -20.633 -14.275 1.00 0.00 C ATOM 0 H ALA A 98 5.713 -20.971 -12.909 1.00 0.00 H new ATOM 0 HA ALA A 98 7.737 -21.862 -12.719 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.551 -21.027 -14.179 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.011 -21.176 -15.058 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.585 -19.575 -14.535 1.00 0.00 H new ATOM 1620 N ASP A 99 7.842 -19.707 -10.790 1.00 0.00 N ATOM 1621 CA ASP A 99 8.451 -19.035 -9.648 1.00 0.00 C ATOM 1622 C ASP A 99 7.463 -18.924 -8.492 1.00 0.00 C ATOM 1623 O ASP A 99 6.382 -18.353 -8.640 1.00 0.00 O ATOM 1624 CB ASP A 99 8.943 -17.644 -10.051 1.00 0.00 C ATOM 1625 CG ASP A 99 10.225 -17.256 -9.341 1.00 0.00 C ATOM 1626 OD1 ASP A 99 10.447 -16.044 -9.138 1.00 0.00 O ATOM 1627 OD2 ASP A 99 11.007 -18.164 -8.989 1.00 0.00 O ATOM 0 H ASP A 99 6.833 -19.833 -10.715 1.00 0.00 H new ATOM 0 HA ASP A 99 9.302 -19.631 -9.318 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.105 -17.617 -11.129 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.170 -16.909 -9.827 1.00 0.00 H new ATOM 1633 N GLU A 100 7.839 -19.472 -7.342 1.00 0.00 N ATOM 1634 CA GLU A 100 6.985 -19.434 -6.161 1.00 0.00 C ATOM 1635 C GLU A 100 7.519 -18.439 -5.135 1.00 0.00 C ATOM 1636 O GLU A 100 6.750 -17.797 -4.420 1.00 0.00 O ATOM 1637 CB GLU A 100 6.884 -20.826 -5.534 1.00 0.00 C ATOM 1638 CG GLU A 100 8.218 -21.375 -5.055 1.00 0.00 C ATOM 1639 CD GLU A 100 8.380 -21.283 -3.549 1.00 0.00 C ATOM 1640 OE1 GLU A 100 7.363 -21.404 -2.835 1.00 0.00 O ATOM 1641 OE2 GLU A 100 9.524 -21.090 -3.086 1.00 0.00 O ATOM 0 H GLU A 100 8.730 -19.948 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 100 5.992 -19.110 -6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.193 -20.787 -4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.458 -21.514 -6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.310 -22.416 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.027 -20.827 -5.538 1.00 0.00 H new ATOM 1649 N ASN A 101 8.840 -18.316 -5.069 1.00 0.00 N ATOM 1650 CA ASN A 101 9.476 -17.399 -4.130 1.00 0.00 C ATOM 1651 C ASN A 101 9.037 -15.961 -4.391 1.00 0.00 C ATOM 1652 O ASN A 101 8.960 -15.149 -3.470 1.00 0.00 O ATOM 1653 CB ASN A 101 10.999 -17.507 -4.233 1.00 0.00 C ATOM 1654 CG ASN A 101 11.573 -18.525 -3.269 1.00 0.00 C ATOM 1655 OD1 ASN A 101 11.033 -18.744 -2.185 1.00 0.00 O ATOM 1656 ND2 ASN A 101 12.673 -19.157 -3.662 1.00 0.00 N ATOM 0 H ASN A 101 9.491 -18.839 -5.654 1.00 0.00 H new ATOM 0 HA ASN A 101 9.166 -17.677 -3.123 1.00 0.00 H new ATOM 0 HB2 ASN A 101 11.273 -17.781 -5.252 1.00 0.00 H new ATOM 0 HB3 ASN A 101 11.444 -16.532 -4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 101 13.104 -19.856 -3.056 1.00 0.00 H new ATOM 0 HD22 ASN A 101 13.087 -18.944 -4.569 1.00 0.00 H new ATOM 1663 N PHE A 102 8.752 -15.654 -5.652 1.00 0.00 N ATOM 1664 CA PHE A 102 8.322 -14.314 -6.033 1.00 0.00 C ATOM 1665 C PHE A 102 6.827 -14.131 -5.788 1.00 0.00 C ATOM 1666 O PHE A 102 6.017 -14.981 -6.163 1.00 0.00 O ATOM 1667 CB PHE A 102 8.645 -14.053 -7.506 1.00 0.00 C ATOM 1668 CG PHE A 102 8.677 -12.593 -7.863 1.00 0.00 C ATOM 1669 CD1 PHE A 102 7.518 -11.834 -7.836 1.00 0.00 C ATOM 1670 CD2 PHE A 102 9.867 -11.983 -8.225 1.00 0.00 C ATOM 1671 CE1 PHE A 102 7.545 -10.492 -8.165 1.00 0.00 C ATOM 1672 CE2 PHE A 102 9.901 -10.641 -8.554 1.00 0.00 C ATOM 1673 CZ PHE A 102 8.738 -9.894 -8.524 1.00 0.00 C ATOM 0 H PHE A 102 8.811 -16.315 -6.427 1.00 0.00 H new ATOM 0 HA PHE A 102 8.863 -13.596 -5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.612 -14.498 -7.742 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.903 -14.555 -8.127 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.583 -12.296 -7.555 1.00 0.00 H new ATOM 0 HD2 PHE A 102 10.778 -12.562 -8.250 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.635 -9.911 -8.142 1.00 0.00 H new ATOM 0 HE2 PHE A 102 10.835 -10.176 -8.834 1.00 0.00 H new ATOM 0 HZ PHE A 102 8.762 -8.845 -8.781 1.00 0.00 H new ATOM 1683 N HIS A 103 6.468 -13.018 -5.158 1.00 0.00 N ATOM 1684 CA HIS A 103 5.071 -12.722 -4.862 1.00 0.00 C ATOM 1685 C HIS A 103 4.647 -11.405 -5.503 1.00 0.00 C ATOM 1686 O HIS A 103 5.393 -10.426 -5.488 1.00 0.00 O ATOM 1687 CB HIS A 103 4.850 -12.660 -3.349 1.00 0.00 C ATOM 1688 CG HIS A 103 4.447 -13.972 -2.750 1.00 0.00 C ATOM 1689 ND1 HIS A 103 4.205 -14.141 -1.402 1.00 0.00 N ATOM 1690 CD2 HIS A 103 4.244 -15.183 -3.321 1.00 0.00 C ATOM 1691 CE1 HIS A 103 3.871 -15.398 -1.171 1.00 0.00 C ATOM 1692 NE2 HIS A 103 3.886 -16.050 -2.318 1.00 0.00 N ATOM 0 H HIS A 103 7.126 -12.305 -4.842 1.00 0.00 H new ATOM 0 HA HIS A 103 4.460 -13.522 -5.279 1.00 0.00 H new ATOM 0 HB2 HIS A 103 5.767 -12.317 -2.870 1.00 0.00 H new ATOM 0 HB3 HIS A 103 4.081 -11.919 -3.132 1.00 0.00 H new ATOM 0 HD2 HIS A 103 4.345 -15.422 -4.369 1.00 0.00 H new ATOM 0 HE1 HIS A 103 3.627 -15.820 -0.207 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.667 -17.039 -2.440 1.00 0.00 H new ATOM 1701 N LEU A 104 3.443 -11.388 -6.068 1.00 0.00 N ATOM 1702 CA LEU A 104 2.920 -10.192 -6.715 1.00 0.00 C ATOM 1703 C LEU A 104 1.398 -10.146 -6.627 1.00 0.00 C ATOM 1704 O LEU A 104 0.713 -11.068 -7.070 1.00 0.00 O ATOM 1705 CB LEU A 104 3.358 -10.146 -8.181 1.00 0.00 C ATOM 1706 CG LEU A 104 2.770 -11.245 -9.066 1.00 0.00 C ATOM 1707 CD1 LEU A 104 1.464 -10.782 -9.694 1.00 0.00 C ATOM 1708 CD2 LEU A 104 3.766 -11.652 -10.143 1.00 0.00 C ATOM 0 H LEU A 104 2.812 -12.189 -6.090 1.00 0.00 H new ATOM 0 HA LEU A 104 3.323 -9.323 -6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.080 -9.178 -8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.445 -10.210 -8.222 1.00 0.00 H new ATOM 0 HG LEU A 104 2.562 -12.115 -8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.060 -11.577 -10.321 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.748 -10.540 -8.908 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.647 -9.897 -10.304 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.331 -12.435 -10.764 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.005 -10.788 -10.763 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.677 -12.025 -9.674 1.00 0.00 H new ATOM 1720 N GLY A 105 0.875 -9.068 -6.050 1.00 0.00 N ATOM 1721 CA GLY A 105 -0.562 -8.924 -5.914 1.00 0.00 C ATOM 1722 C GLY A 105 -1.034 -7.511 -6.194 1.00 0.00 C ATOM 1723 O GLY A 105 -0.233 -6.637 -6.526 1.00 0.00 O ATOM 0 H GLY A 105 1.421 -8.293 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.059 -9.612 -6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.858 -9.209 -4.905 1.00 0.00 H new ATOM 1727 N LEU A 106 -2.337 -7.287 -6.061 1.00 0.00 N ATOM 1728 CA LEU A 106 -2.914 -5.970 -6.302 1.00 0.00 C ATOM 1729 C LEU A 106 -4.181 -5.772 -5.475 1.00 0.00 C ATOM 1730 O LEU A 106 -4.961 -6.705 -5.284 1.00 0.00 O ATOM 1731 CB LEU A 106 -3.225 -5.791 -7.790 1.00 0.00 C ATOM 1732 CG LEU A 106 -2.825 -4.437 -8.378 1.00 0.00 C ATOM 1733 CD1 LEU A 106 -2.634 -4.544 -9.882 1.00 0.00 C ATOM 1734 CD2 LEU A 106 -3.870 -3.382 -8.045 1.00 0.00 C ATOM 0 H LEU A 106 -3.013 -8.000 -5.788 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.185 -5.219 -5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.716 -6.577 -8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.295 -5.934 -7.941 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.877 -4.135 -7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.350 -3.571 -10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.849 -5.269 -10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.566 -4.869 -10.345 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.569 -2.425 -8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.832 -3.679 -8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.958 -3.286 -6.963 1.00 0.00 H new ATOM 1746 N GLY A 107 -4.380 -4.551 -4.986 1.00 0.00 N ATOM 1747 CA GLY A 107 -5.553 -4.256 -4.187 1.00 0.00 C ATOM 1748 C GLY A 107 -5.755 -2.767 -3.980 1.00 0.00 C ATOM 1749 O GLY A 107 -5.024 -1.952 -4.544 1.00 0.00 O ATOM 0 H GLY A 107 -3.749 -3.762 -5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.434 -4.675 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.461 -4.745 -3.217 1.00 0.00 H new ATOM 1753 N PHE A 108 -6.748 -2.413 -3.172 1.00 0.00 N ATOM 1754 CA PHE A 108 -7.045 -1.012 -2.894 1.00 0.00 C ATOM 1755 C PHE A 108 -6.780 -0.681 -1.428 1.00 0.00 C ATOM 1756 O PHE A 108 -6.964 -1.522 -0.548 1.00 0.00 O ATOM 1757 CB PHE A 108 -8.501 -0.697 -3.249 1.00 0.00 C ATOM 1758 CG PHE A 108 -8.650 0.112 -4.505 1.00 0.00 C ATOM 1759 CD1 PHE A 108 -8.658 -0.505 -5.745 1.00 0.00 C ATOM 1760 CD2 PHE A 108 -8.782 1.489 -4.446 1.00 0.00 C ATOM 1761 CE1 PHE A 108 -8.795 0.236 -6.903 1.00 0.00 C ATOM 1762 CE2 PHE A 108 -8.919 2.237 -5.600 1.00 0.00 C ATOM 1763 CZ PHE A 108 -8.926 1.609 -6.830 1.00 0.00 C ATOM 0 H PHE A 108 -7.361 -3.076 -2.698 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.389 -0.397 -3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -9.050 -1.632 -3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.960 -0.156 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -8.556 -1.578 -5.807 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -8.778 1.985 -3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.800 -0.258 -7.864 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.020 3.311 -5.540 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.034 2.191 -7.734 1.00 0.00 H new ATOM 1773 N THR A 109 -6.349 0.551 -1.175 1.00 0.00 N ATOM 1774 CA THR A 109 -6.059 0.996 0.183 1.00 0.00 C ATOM 1775 C THR A 109 -6.749 2.323 0.480 1.00 0.00 C ATOM 1776 O THR A 109 -6.430 3.348 -0.124 1.00 0.00 O ATOM 1777 CB THR A 109 -4.549 1.136 0.385 1.00 0.00 C ATOM 1778 OG1 THR A 109 -3.913 1.501 -0.827 1.00 0.00 O ATOM 1779 CG2 THR A 109 -3.892 -0.132 0.886 1.00 0.00 C ATOM 0 H THR A 109 -6.193 1.259 -1.893 1.00 0.00 H new ATOM 0 HA THR A 109 -6.443 0.245 0.874 1.00 0.00 H new ATOM 0 HB THR A 109 -4.429 1.911 1.142 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.454 2.174 -1.291 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.822 0.036 1.008 1.00 0.00 H new ATOM 0 HG22 THR A 109 -4.327 -0.412 1.845 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.054 -0.934 0.166 1.00 0.00 H new ATOM 1787 N ALA A 110 -7.697 2.297 1.411 1.00 0.00 N ATOM 1788 CA ALA A 110 -8.433 3.498 1.787 1.00 0.00 C ATOM 1789 C ALA A 110 -7.827 4.147 3.027 1.00 0.00 C ATOM 1790 O ALA A 110 -7.740 3.526 4.086 1.00 0.00 O ATOM 1791 CB ALA A 110 -9.898 3.168 2.024 1.00 0.00 C ATOM 0 H ALA A 110 -7.974 1.457 1.919 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.362 4.210 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.434 4.075 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -10.331 2.757 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.981 2.435 2.827 1.00 0.00 H new ATOM 1797 N GLY A 111 -7.410 5.402 2.888 1.00 0.00 N ATOM 1798 CA GLY A 111 -6.819 6.114 4.005 1.00 0.00 C ATOM 1799 C GLY A 111 -7.732 7.191 4.557 1.00 0.00 C ATOM 1800 O GLY A 111 -8.358 7.932 3.799 1.00 0.00 O ATOM 0 H GLY A 111 -7.471 5.938 2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.579 5.405 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -5.880 6.567 3.687 1.00 0.00 H new ATOM 1804 N VAL A 112 -7.810 7.276 5.880 1.00 0.00 N ATOM 1805 CA VAL A 112 -8.655 8.269 6.534 1.00 0.00 C ATOM 1806 C VAL A 112 -7.819 9.256 7.341 1.00 0.00 C ATOM 1807 O VAL A 112 -6.892 8.865 8.051 1.00 0.00 O ATOM 1808 CB VAL A 112 -9.685 7.605 7.467 1.00 0.00 C ATOM 1809 CG1 VAL A 112 -10.774 6.918 6.657 1.00 0.00 C ATOM 1810 CG2 VAL A 112 -9.001 6.617 8.400 1.00 0.00 C ATOM 0 H VAL A 112 -7.299 6.670 6.521 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.183 8.803 5.744 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.151 8.381 8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -11.493 6.455 7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -11.283 7.654 6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -10.327 6.153 6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -9.744 6.158 9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.507 5.844 7.812 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -8.261 7.141 9.006 1.00 0.00 H new ATOM 1820 N THR A 113 -8.154 10.537 7.229 1.00 0.00 N ATOM 1821 CA THR A 113 -7.435 11.582 7.949 1.00 0.00 C ATOM 1822 C THR A 113 -8.292 12.157 9.071 1.00 0.00 C ATOM 1823 O THR A 113 -9.520 12.089 9.024 1.00 0.00 O ATOM 1824 CB THR A 113 -7.015 12.696 6.988 1.00 0.00 C ATOM 1825 OG1 THR A 113 -7.965 12.845 5.949 1.00 0.00 O ATOM 1826 CG2 THR A 113 -5.666 12.457 6.347 1.00 0.00 C ATOM 0 H THR A 113 -8.919 10.877 6.646 1.00 0.00 H new ATOM 0 HA THR A 113 -6.543 11.138 8.390 1.00 0.00 H new ATOM 0 HB THR A 113 -6.953 13.597 7.599 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.680 13.563 5.346 1.00 0.00 H new ATOM 0 HG21 THR A 113 -5.430 13.284 5.678 1.00 0.00 H new ATOM 0 HG22 THR A 113 -4.902 12.387 7.122 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.693 11.527 5.779 1.00 0.00 H new ATOM 1834 N ALA A 114 -7.637 12.724 10.079 1.00 0.00 N ATOM 1835 CA ALA A 114 -8.340 13.311 11.214 1.00 0.00 C ATOM 1836 C ALA A 114 -7.614 14.548 11.730 1.00 0.00 C ATOM 1837 O ALA A 114 -6.396 14.667 11.594 1.00 0.00 O ATOM 1838 CB ALA A 114 -8.497 12.284 12.326 1.00 0.00 C ATOM 0 H ALA A 114 -6.621 12.789 10.133 1.00 0.00 H new ATOM 0 HA ALA A 114 -9.330 13.619 10.877 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.023 12.736 13.167 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.067 11.432 11.956 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -7.513 11.948 12.652 1.00 0.00 H new ATOM 1844 N ARG A 115 -8.369 15.467 12.323 1.00 0.00 N ATOM 1845 CA ARG A 115 -7.796 16.696 12.862 1.00 0.00 C ATOM 1846 C ARG A 115 -7.636 16.604 14.375 1.00 0.00 C ATOM 1847 O ARG A 115 -7.972 15.588 14.986 1.00 0.00 O ATOM 1848 CB ARG A 115 -8.677 17.893 12.502 1.00 0.00 C ATOM 1849 CG ARG A 115 -8.738 18.179 11.011 1.00 0.00 C ATOM 1850 CD ARG A 115 -9.562 19.421 10.715 1.00 0.00 C ATOM 1851 NE ARG A 115 -9.132 20.083 9.485 1.00 0.00 N ATOM 1852 CZ ARG A 115 -9.458 19.664 8.264 1.00 0.00 C ATOM 1853 NH1 ARG A 115 -10.216 18.586 8.106 1.00 0.00 N ATOM 1854 NH2 ARG A 115 -9.024 20.325 7.200 1.00 0.00 N ATOM 0 H ARG A 115 -9.379 15.384 12.443 1.00 0.00 H new ATOM 0 HA ARG A 115 -6.810 16.833 12.419 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.687 17.713 12.870 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.302 18.777 13.018 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -7.728 18.310 10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -9.170 17.323 10.493 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -10.614 19.147 10.631 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -9.480 20.118 11.549 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.548 20.915 9.567 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -10.552 18.074 8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -10.463 18.269 7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -8.441 21.154 7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -9.273 20.005 6.264 1.00 0.00 H new ATOM 1868 N ASP A 116 -7.122 17.672 14.977 1.00 0.00 N ATOM 1869 CA ASP A 116 -6.919 17.712 16.420 1.00 0.00 C ATOM 1870 C ASP A 116 -8.224 18.022 17.145 1.00 0.00 C ATOM 1871 O ASP A 116 -8.547 17.399 18.156 1.00 0.00 O ATOM 1872 CB ASP A 116 -5.862 18.760 16.778 1.00 0.00 C ATOM 1873 CG ASP A 116 -4.534 18.498 16.095 1.00 0.00 C ATOM 1874 OD1 ASP A 116 -4.078 17.335 16.109 1.00 0.00 O ATOM 1875 OD2 ASP A 116 -3.950 19.455 15.544 1.00 0.00 O ATOM 0 H ASP A 116 -6.839 18.521 14.488 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.571 16.730 16.740 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.224 19.749 16.495 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.716 18.771 17.858 1.00 0.00 H new ATOM 1881 N ASN A 117 -8.973 18.987 16.619 1.00 0.00 N ATOM 1882 CA ASN A 117 -10.245 19.378 17.217 1.00 0.00 C ATOM 1883 C ASN A 117 -11.403 18.629 16.566 1.00 0.00 C ATOM 1884 O ASN A 117 -11.721 18.852 15.397 1.00 0.00 O ATOM 1885 CB ASN A 117 -10.454 20.887 17.078 1.00 0.00 C ATOM 1886 CG ASN A 117 -9.967 21.653 18.292 1.00 0.00 C ATOM 1887 OD1 ASN A 117 -8.792 21.583 18.654 1.00 0.00 O ATOM 1888 ND2 ASN A 117 -10.870 22.389 18.929 1.00 0.00 N ATOM 0 H ASN A 117 -8.721 19.512 15.781 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.218 19.119 18.275 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -9.928 21.244 16.192 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -11.514 21.091 16.924 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -10.601 22.926 19.754 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -11.833 22.418 18.594 1.00 0.00 H new ATOM 1895 N TRP A 118 -12.029 17.739 17.328 1.00 0.00 N ATOM 1896 CA TRP A 118 -13.153 16.957 16.825 1.00 0.00 C ATOM 1897 C TRP A 118 -14.336 17.858 16.487 1.00 0.00 C ATOM 1898 O TRP A 118 -15.145 18.190 17.354 1.00 0.00 O ATOM 1899 CB TRP A 118 -13.574 15.909 17.857 1.00 0.00 C ATOM 1900 CG TRP A 118 -14.071 14.636 17.242 1.00 0.00 C ATOM 1901 CD1 TRP A 118 -15.346 14.150 17.281 1.00 0.00 C ATOM 1902 CD2 TRP A 118 -13.301 13.685 16.497 1.00 0.00 C ATOM 1903 NE1 TRP A 118 -15.416 12.955 16.606 1.00 0.00 N ATOM 1904 CE2 TRP A 118 -14.174 12.649 16.114 1.00 0.00 C ATOM 1905 CE3 TRP A 118 -11.959 13.611 16.113 1.00 0.00 C ATOM 1906 CZ2 TRP A 118 -13.748 11.552 15.369 1.00 0.00 C ATOM 1907 CZ3 TRP A 118 -11.537 12.521 15.373 1.00 0.00 C ATOM 1908 CH2 TRP A 118 -12.430 11.505 15.009 1.00 0.00 C ATOM 0 H TRP A 118 -11.777 17.541 18.296 1.00 0.00 H new ATOM 0 HA TRP A 118 -12.833 16.452 15.914 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -12.725 15.685 18.503 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -14.356 16.327 18.491 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -16.178 14.634 17.771 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -16.256 12.388 16.490 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -11.264 14.391 16.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -14.434 10.767 15.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -10.502 12.452 15.071 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -12.070 10.667 14.432 1.00 0.00 H new ATOM 1919 N ASN A 119 -14.429 18.253 15.221 1.00 0.00 N ATOM 1920 CA ASN A 119 -15.513 19.116 14.767 1.00 0.00 C ATOM 1921 C ASN A 119 -16.165 18.553 13.508 1.00 0.00 C ATOM 1922 O ASN A 119 -17.389 18.460 13.419 1.00 0.00 O ATOM 1923 CB ASN A 119 -14.990 20.528 14.497 1.00 0.00 C ATOM 1924 CG ASN A 119 -14.308 21.133 15.708 1.00 0.00 C ATOM 1925 OD1 ASN A 119 -14.512 20.687 16.837 1.00 0.00 O ATOM 1926 ND2 ASN A 119 -13.493 22.157 15.479 1.00 0.00 N ATOM 0 H ASN A 119 -13.767 17.989 14.492 1.00 0.00 H new ATOM 0 HA ASN A 119 -16.264 19.159 15.555 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -14.287 20.499 13.664 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -15.819 21.167 14.193 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -13.007 22.606 16.256 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.353 22.494 14.527 1.00 0.00 H new ATOM 1933 N TYR A 120 -15.338 18.178 12.538 1.00 0.00 N ATOM 1934 CA TYR A 120 -15.833 17.624 11.283 1.00 0.00 C ATOM 1935 C TYR A 120 -15.597 16.118 11.224 1.00 0.00 C ATOM 1936 O TYR A 120 -14.872 15.561 12.048 1.00 0.00 O ATOM 1937 CB TYR A 120 -15.152 18.306 10.095 1.00 0.00 C ATOM 1938 CG TYR A 120 -16.052 18.465 8.891 1.00 0.00 C ATOM 1939 CD1 TYR A 120 -16.965 19.508 8.815 1.00 0.00 C ATOM 1940 CD2 TYR A 120 -15.987 17.570 7.829 1.00 0.00 C ATOM 1941 CE1 TYR A 120 -17.790 19.656 7.715 1.00 0.00 C ATOM 1942 CE2 TYR A 120 -16.808 17.711 6.726 1.00 0.00 C ATOM 1943 CZ TYR A 120 -17.706 18.756 6.673 1.00 0.00 C ATOM 1944 OH TYR A 120 -18.525 18.900 5.577 1.00 0.00 O ATOM 0 H TYR A 120 -14.322 18.248 12.597 1.00 0.00 H new ATOM 0 HA TYR A 120 -16.906 17.809 11.231 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -14.797 19.289 10.405 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -14.274 17.726 9.808 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -17.032 20.215 9.628 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -15.284 16.751 7.867 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -18.496 20.472 7.672 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -16.746 17.006 5.910 1.00 0.00 H new ATOM 0 HH TYR A 120 -18.339 18.185 4.933 1.00 0.00 H new ATOM 1954 N ILE A 121 -16.212 15.466 10.244 1.00 0.00 N ATOM 1955 CA ILE A 121 -16.068 14.025 10.076 1.00 0.00 C ATOM 1956 C ILE A 121 -14.765 13.681 9.361 1.00 0.00 C ATOM 1957 O ILE A 121 -14.183 14.523 8.675 1.00 0.00 O ATOM 1958 CB ILE A 121 -17.248 13.429 9.284 1.00 0.00 C ATOM 1959 CG1 ILE A 121 -17.438 14.183 7.966 1.00 0.00 C ATOM 1960 CG2 ILE A 121 -18.522 13.476 10.115 1.00 0.00 C ATOM 1961 CD1 ILE A 121 -18.032 13.333 6.865 1.00 0.00 C ATOM 0 H ILE A 121 -16.815 15.913 9.553 1.00 0.00 H new ATOM 0 HA ILE A 121 -16.056 13.591 11.076 1.00 0.00 H new ATOM 0 HB ILE A 121 -17.024 12.387 9.057 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -18.084 15.043 8.139 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -16.474 14.570 7.636 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -19.346 13.052 9.542 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -18.381 12.900 11.029 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -18.752 14.510 10.370 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -18.139 13.932 5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -17.375 12.486 6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -19.011 12.967 7.175 1.00 0.00 H new ATOM 1973 N PRO A 122 -14.288 12.434 9.510 1.00 0.00 N ATOM 1974 CA PRO A 122 -13.046 11.982 8.873 1.00 0.00 C ATOM 1975 C PRO A 122 -13.038 12.246 7.371 1.00 0.00 C ATOM 1976 O PRO A 122 -14.078 12.529 6.776 1.00 0.00 O ATOM 1977 CB PRO A 122 -13.028 10.477 9.152 1.00 0.00 C ATOM 1978 CG PRO A 122 -13.853 10.309 10.380 1.00 0.00 C ATOM 1979 CD PRO A 122 -14.919 11.367 10.310 1.00 0.00 C ATOM 0 HA PRO A 122 -12.174 12.510 9.260 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -13.444 9.915 8.316 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -12.011 10.115 9.306 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -14.294 9.313 10.421 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -13.245 10.426 11.277 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -15.826 10.993 9.836 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -15.200 11.721 11.302 1.00 0.00 H new ATOM 1987 N LEU A 123 -11.859 12.152 6.765 1.00 0.00 N ATOM 1988 CA LEU A 123 -11.717 12.381 5.331 1.00 0.00 C ATOM 1989 C LEU A 123 -11.077 11.176 4.646 1.00 0.00 C ATOM 1990 O LEU A 123 -9.860 11.128 4.466 1.00 0.00 O ATOM 1991 CB LEU A 123 -10.876 13.634 5.075 1.00 0.00 C ATOM 1992 CG LEU A 123 -11.664 14.943 5.023 1.00 0.00 C ATOM 1993 CD1 LEU A 123 -12.032 15.402 6.426 1.00 0.00 C ATOM 1994 CD2 LEU A 123 -10.863 16.017 4.302 1.00 0.00 C ATOM 0 H LEU A 123 -10.989 11.919 7.244 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.713 12.527 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -10.122 13.713 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.345 13.510 4.131 1.00 0.00 H new ATOM 0 HG LEU A 123 -12.585 14.769 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -12.592 16.335 6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -12.644 14.640 6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.123 15.560 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -11.438 16.942 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -9.926 16.188 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.651 15.691 3.284 1.00 0.00 H new ATOM 2006 N PRO A 124 -11.893 10.183 4.253 1.00 0.00 N ATOM 2007 CA PRO A 124 -11.401 8.975 3.585 1.00 0.00 C ATOM 2008 C PRO A 124 -10.952 9.247 2.153 1.00 0.00 C ATOM 2009 O PRO A 124 -11.389 10.214 1.528 1.00 0.00 O ATOM 2010 CB PRO A 124 -12.614 8.045 3.596 1.00 0.00 C ATOM 2011 CG PRO A 124 -13.790 8.959 3.632 1.00 0.00 C ATOM 2012 CD PRO A 124 -13.358 10.159 4.430 1.00 0.00 C ATOM 0 HA PRO A 124 -10.525 8.561 4.084 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -12.634 7.409 2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -12.599 7.384 4.463 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -14.091 9.248 2.625 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -14.649 8.472 4.094 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -13.822 11.074 4.061 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -13.634 10.063 5.480 1.00 0.00 H new ATOM 2020 N VAL A 125 -10.077 8.390 1.639 1.00 0.00 N ATOM 2021 CA VAL A 125 -9.569 8.538 0.280 1.00 0.00 C ATOM 2022 C VAL A 125 -9.135 7.194 -0.294 1.00 0.00 C ATOM 2023 O VAL A 125 -8.563 6.362 0.411 1.00 0.00 O ATOM 2024 CB VAL A 125 -8.381 9.521 0.229 1.00 0.00 C ATOM 2025 CG1 VAL A 125 -7.225 9.010 1.075 1.00 0.00 C ATOM 2026 CG2 VAL A 125 -7.938 9.753 -1.209 1.00 0.00 C ATOM 0 H VAL A 125 -9.704 7.585 2.143 1.00 0.00 H new ATOM 0 HA VAL A 125 -10.384 8.937 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 125 -8.708 10.475 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -6.397 9.718 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -7.550 8.904 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -6.898 8.042 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -7.099 10.449 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -7.631 8.806 -1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -8.766 10.171 -1.782 1.00 0.00 H new ATOM 2036 N LEU A 126 -9.409 6.987 -1.578 1.00 0.00 N ATOM 2037 CA LEU A 126 -9.046 5.743 -2.246 1.00 0.00 C ATOM 2038 C LEU A 126 -7.689 5.869 -2.931 1.00 0.00 C ATOM 2039 O LEU A 126 -7.412 6.862 -3.604 1.00 0.00 O ATOM 2040 CB LEU A 126 -10.116 5.362 -3.273 1.00 0.00 C ATOM 2041 CG LEU A 126 -11.530 5.212 -2.708 1.00 0.00 C ATOM 2042 CD1 LEU A 126 -12.504 4.819 -3.807 1.00 0.00 C ATOM 2043 CD2 LEU A 126 -11.549 4.186 -1.585 1.00 0.00 C ATOM 0 H LEU A 126 -9.881 7.665 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 126 -8.980 4.959 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.132 6.120 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -9.828 4.422 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 126 -11.842 6.174 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.505 4.717 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.511 5.589 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.195 3.869 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.562 4.092 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.217 3.221 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -10.881 4.509 -0.786 1.00 0.00 H new ATOM 2055 N LEU A 127 -6.847 4.857 -2.754 1.00 0.00 N ATOM 2056 CA LEU A 127 -5.517 4.854 -3.354 1.00 0.00 C ATOM 2057 C LEU A 127 -5.110 3.441 -3.770 1.00 0.00 C ATOM 2058 O LEU A 127 -4.677 2.644 -2.937 1.00 0.00 O ATOM 2059 CB LEU A 127 -4.492 5.424 -2.372 1.00 0.00 C ATOM 2060 CG LEU A 127 -4.662 6.909 -2.046 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -4.227 7.196 -0.618 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -3.870 7.762 -3.027 1.00 0.00 C ATOM 0 H LEU A 127 -7.061 4.028 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.545 5.481 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.546 4.856 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -3.494 5.270 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.718 7.164 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.355 8.257 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.835 6.611 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.178 6.926 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.001 8.816 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.813 7.504 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -4.228 7.578 -4.040 1.00 0.00 H new ATOM 2074 N PRO A 128 -5.242 3.109 -5.066 1.00 0.00 N ATOM 2075 CA PRO A 128 -4.883 1.783 -5.582 1.00 0.00 C ATOM 2076 C PRO A 128 -3.376 1.555 -5.593 1.00 0.00 C ATOM 2077 O PRO A 128 -2.603 2.466 -5.889 1.00 0.00 O ATOM 2078 CB PRO A 128 -5.433 1.796 -7.009 1.00 0.00 C ATOM 2079 CG PRO A 128 -5.453 3.235 -7.393 1.00 0.00 C ATOM 2080 CD PRO A 128 -5.750 3.997 -6.132 1.00 0.00 C ATOM 0 HA PRO A 128 -5.287 0.982 -4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -4.802 1.215 -7.682 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -6.431 1.360 -7.053 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -4.496 3.539 -7.816 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -6.212 3.426 -8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -5.249 4.965 -6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -6.817 4.189 -6.020 1.00 0.00 H new ATOM 2088 N LEU A 129 -2.965 0.334 -5.269 1.00 0.00 N ATOM 2089 CA LEU A 129 -1.549 -0.013 -5.242 1.00 0.00 C ATOM 2090 C LEU A 129 -1.358 -1.527 -5.290 1.00 0.00 C ATOM 2091 O LEU A 129 -2.321 -2.287 -5.189 1.00 0.00 O ATOM 2092 CB LEU A 129 -0.887 0.557 -3.986 1.00 0.00 C ATOM 2093 CG LEU A 129 -1.570 0.186 -2.669 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -1.189 -1.226 -2.249 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -1.204 1.185 -1.581 1.00 0.00 C ATOM 0 H LEU A 129 -3.592 -0.432 -5.022 1.00 0.00 H new ATOM 0 HA LEU A 129 -1.077 0.422 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.147 0.213 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.859 1.643 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.649 0.219 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -1.684 -1.472 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -1.500 -1.931 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -0.109 -1.287 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.698 0.907 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.124 1.183 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -1.527 2.182 -1.879 1.00 0.00 H new ATOM 2107 N ALA A 130 -0.110 -1.955 -5.445 1.00 0.00 N ATOM 2108 CA ALA A 130 0.208 -3.377 -5.506 1.00 0.00 C ATOM 2109 C ALA A 130 1.149 -3.778 -4.375 1.00 0.00 C ATOM 2110 O ALA A 130 1.846 -2.937 -3.807 1.00 0.00 O ATOM 2111 CB ALA A 130 0.823 -3.722 -6.854 1.00 0.00 C ATOM 0 H ALA A 130 0.698 -1.338 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 130 -0.719 -3.937 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 130 1.056 -4.786 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 130 0.117 -3.481 -7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 130 1.738 -3.146 -6.995 1.00 0.00 H new ATOM 2117 N SER A 131 1.165 -5.067 -4.055 1.00 0.00 N ATOM 2118 CA SER A 131 2.021 -5.580 -2.991 1.00 0.00 C ATOM 2119 C SER A 131 3.054 -6.556 -3.546 1.00 0.00 C ATOM 2120 O SER A 131 2.722 -7.453 -4.322 1.00 0.00 O ATOM 2121 CB SER A 131 1.178 -6.270 -1.917 1.00 0.00 C ATOM 2122 OG SER A 131 0.814 -5.361 -0.892 1.00 0.00 O ATOM 0 H SER A 131 0.595 -5.776 -4.517 1.00 0.00 H new ATOM 0 HA SER A 131 2.547 -4.736 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.280 -6.691 -2.370 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.738 -7.101 -1.488 1.00 0.00 H new ATOM 0 HG SER A 131 0.274 -5.826 -0.219 1.00 0.00 H new ATOM 2128 N VAL A 132 4.307 -6.374 -3.143 1.00 0.00 N ATOM 2129 CA VAL A 132 5.390 -7.238 -3.598 1.00 0.00 C ATOM 2130 C VAL A 132 6.050 -7.955 -2.425 1.00 0.00 C ATOM 2131 O VAL A 132 6.575 -7.318 -1.512 1.00 0.00 O ATOM 2132 CB VAL A 132 6.461 -6.440 -4.365 1.00 0.00 C ATOM 2133 CG1 VAL A 132 7.477 -7.379 -4.998 1.00 0.00 C ATOM 2134 CG2 VAL A 132 5.813 -5.554 -5.419 1.00 0.00 C ATOM 0 H VAL A 132 4.598 -5.636 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 132 4.947 -7.974 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 132 6.986 -5.799 -3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 132 8.225 -6.797 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 132 7.964 -7.966 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.970 -8.048 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 132 6.585 -4.998 -5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 132 5.260 -6.173 -6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 132 5.129 -4.855 -4.937 1.00 0.00 H new ATOM 2144 N GLY A 133 6.019 -9.283 -2.456 1.00 0.00 N ATOM 2145 CA GLY A 133 6.617 -10.064 -1.389 1.00 0.00 C ATOM 2146 C GLY A 133 7.909 -10.734 -1.812 1.00 0.00 C ATOM 2147 O GLY A 133 7.900 -11.654 -2.630 1.00 0.00 O ATOM 0 H GLY A 133 5.590 -9.832 -3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.811 -9.416 -0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 133 5.909 -10.824 -1.059 1.00 0.00 H new ATOM 2151 N TYR A 134 9.023 -10.272 -1.254 1.00 0.00 N ATOM 2152 CA TYR A 134 10.330 -10.834 -1.578 1.00 0.00 C ATOM 2153 C TYR A 134 11.155 -11.054 -0.314 1.00 0.00 C ATOM 2154 O TYR A 134 11.520 -10.101 0.375 1.00 0.00 O ATOM 2155 CB TYR A 134 11.082 -9.910 -2.538 1.00 0.00 C ATOM 2156 CG TYR A 134 12.174 -10.608 -3.320 1.00 0.00 C ATOM 2157 CD1 TYR A 134 11.891 -11.259 -4.513 1.00 0.00 C ATOM 2158 CD2 TYR A 134 13.486 -10.615 -2.862 1.00 0.00 C ATOM 2159 CE1 TYR A 134 12.886 -11.898 -5.230 1.00 0.00 C ATOM 2160 CE2 TYR A 134 14.485 -11.250 -3.574 1.00 0.00 C ATOM 2161 CZ TYR A 134 14.180 -11.890 -4.756 1.00 0.00 C ATOM 2162 OH TYR A 134 15.173 -12.526 -5.467 1.00 0.00 O ATOM 0 H TYR A 134 9.047 -9.511 -0.576 1.00 0.00 H new ATOM 0 HA TYR A 134 10.174 -11.799 -2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 134 10.371 -9.470 -3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 134 11.521 -9.089 -1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 134 10.878 -11.267 -4.887 1.00 0.00 H new ATOM 0 HD2 TYR A 134 13.728 -10.116 -1.935 1.00 0.00 H new ATOM 0 HE1 TYR A 134 12.650 -12.401 -6.156 1.00 0.00 H new ATOM 0 HE2 TYR A 134 15.500 -11.245 -3.206 1.00 0.00 H new ATOM 0 HH TYR A 134 16.027 -12.426 -4.997 1.00 0.00 H new ATOM 2172 N GLY A 135 11.445 -12.316 -0.015 1.00 0.00 N ATOM 2173 CA GLY A 135 12.224 -12.638 1.165 1.00 0.00 C ATOM 2174 C GLY A 135 11.589 -12.115 2.441 1.00 0.00 C ATOM 2175 O GLY A 135 10.367 -11.989 2.520 1.00 0.00 O ATOM 0 H GLY A 135 11.154 -13.121 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 135 12.339 -13.720 1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 135 13.224 -12.218 1.062 1.00 0.00 H new ATOM 2179 N PRO A 136 12.399 -11.800 3.466 1.00 0.00 N ATOM 2180 CA PRO A 136 11.894 -11.287 4.742 1.00 0.00 C ATOM 2181 C PRO A 136 11.409 -9.842 4.645 1.00 0.00 C ATOM 2182 O PRO A 136 10.835 -9.308 5.594 1.00 0.00 O ATOM 2183 CB PRO A 136 13.110 -11.381 5.663 1.00 0.00 C ATOM 2184 CG PRO A 136 14.282 -11.266 4.751 1.00 0.00 C ATOM 2185 CD PRO A 136 13.870 -11.920 3.460 1.00 0.00 C ATOM 0 HA PRO A 136 11.028 -11.849 5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 136 13.107 -10.584 6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 136 13.123 -12.325 6.208 1.00 0.00 H new ATOM 0 HG2 PRO A 136 14.551 -10.222 4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 136 15.157 -11.759 5.176 1.00 0.00 H new ATOM 0 HD2 PRO A 136 14.310 -11.419 2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 136 14.187 -12.962 3.419 1.00 0.00 H new ATOM 2193 N VAL A 137 11.642 -9.212 3.497 1.00 0.00 N ATOM 2194 CA VAL A 137 11.227 -7.830 3.286 1.00 0.00 C ATOM 2195 C VAL A 137 10.048 -7.750 2.323 1.00 0.00 C ATOM 2196 O VAL A 137 9.850 -8.638 1.493 1.00 0.00 O ATOM 2197 CB VAL A 137 12.383 -6.973 2.737 1.00 0.00 C ATOM 2198 CG1 VAL A 137 11.999 -5.501 2.727 1.00 0.00 C ATOM 2199 CG2 VAL A 137 13.647 -7.196 3.553 1.00 0.00 C ATOM 0 H VAL A 137 12.116 -9.637 2.700 1.00 0.00 H new ATOM 0 HA VAL A 137 10.925 -7.440 4.258 1.00 0.00 H new ATOM 0 HB VAL A 137 12.582 -7.279 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 137 12.828 -4.911 2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 137 11.122 -5.358 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 137 11.771 -5.178 3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 137 14.453 -6.582 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 137 13.464 -6.919 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 137 13.932 -8.247 3.503 1.00 0.00 H new ATOM 2209 N THR A 138 9.269 -6.679 2.437 1.00 0.00 N ATOM 2210 CA THR A 138 8.109 -6.482 1.575 1.00 0.00 C ATOM 2211 C THR A 138 8.037 -5.040 1.083 1.00 0.00 C ATOM 2212 O THR A 138 8.278 -4.101 1.843 1.00 0.00 O ATOM 2213 CB THR A 138 6.825 -6.842 2.323 1.00 0.00 C ATOM 2214 OG1 THR A 138 6.889 -6.406 3.669 1.00 0.00 O ATOM 2215 CG2 THR A 138 6.536 -8.328 2.335 1.00 0.00 C ATOM 0 H THR A 138 9.420 -5.934 3.118 1.00 0.00 H new ATOM 0 HA THR A 138 8.214 -7.138 0.711 1.00 0.00 H new ATOM 0 HB THR A 138 6.025 -6.337 1.782 1.00 0.00 H new ATOM 0 HG1 THR A 138 7.646 -5.793 3.779 1.00 0.00 H new ATOM 0 HG21 THR A 138 5.612 -8.514 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 138 6.431 -8.686 1.311 1.00 0.00 H new ATOM 0 HG23 THR A 138 7.357 -8.854 2.821 1.00 0.00 H new ATOM 2223 N PHE A 139 7.705 -4.871 -0.192 1.00 0.00 N ATOM 2224 CA PHE A 139 7.601 -3.543 -0.786 1.00 0.00 C ATOM 2225 C PHE A 139 6.205 -3.308 -1.353 1.00 0.00 C ATOM 2226 O PHE A 139 5.561 -4.232 -1.850 1.00 0.00 O ATOM 2227 CB PHE A 139 8.649 -3.371 -1.889 1.00 0.00 C ATOM 2228 CG PHE A 139 9.885 -2.649 -1.435 1.00 0.00 C ATOM 2229 CD1 PHE A 139 10.878 -3.319 -0.740 1.00 0.00 C ATOM 2230 CD2 PHE A 139 10.052 -1.300 -1.703 1.00 0.00 C ATOM 2231 CE1 PHE A 139 12.017 -2.657 -0.321 1.00 0.00 C ATOM 2232 CE2 PHE A 139 11.188 -0.632 -1.286 1.00 0.00 C ATOM 2233 CZ PHE A 139 12.172 -1.312 -0.594 1.00 0.00 C ATOM 0 H PHE A 139 7.503 -5.637 -0.834 1.00 0.00 H new ATOM 0 HA PHE A 139 7.784 -2.807 -0.003 1.00 0.00 H new ATOM 0 HB2 PHE A 139 8.931 -4.354 -2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 139 8.203 -2.824 -2.720 1.00 0.00 H new ATOM 0 HD1 PHE A 139 10.761 -4.370 -0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 139 9.286 -0.764 -2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 139 12.785 -3.191 0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 139 11.306 0.420 -1.501 1.00 0.00 H new ATOM 0 HZ PHE A 139 13.061 -0.793 -0.267 1.00 0.00 H new ATOM 2243 N GLN A 140 5.741 -2.065 -1.274 1.00 0.00 N ATOM 2244 CA GLN A 140 4.421 -1.707 -1.779 1.00 0.00 C ATOM 2245 C GLN A 140 4.494 -0.470 -2.669 1.00 0.00 C ATOM 2246 O GLN A 140 4.857 0.614 -2.212 1.00 0.00 O ATOM 2247 CB GLN A 140 3.457 -1.457 -0.617 1.00 0.00 C ATOM 2248 CG GLN A 140 2.027 -1.193 -1.059 1.00 0.00 C ATOM 2249 CD GLN A 140 1.122 -0.807 0.095 1.00 0.00 C ATOM 2250 OE1 GLN A 140 0.925 0.375 0.375 1.00 0.00 O ATOM 2251 NE2 GLN A 140 0.569 -1.805 0.773 1.00 0.00 N ATOM 0 H GLN A 140 6.260 -1.288 -0.865 1.00 0.00 H new ATOM 0 HA GLN A 140 4.051 -2.540 -2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 140 3.470 -2.321 0.047 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.813 -0.605 -0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 140 2.022 -0.396 -1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 140 1.630 -2.085 -1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.760 -2.771 0.506 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.047 -1.606 1.561 1.00 0.00 H new ATOM 2260 N MET A 141 4.148 -0.641 -3.941 1.00 0.00 N ATOM 2261 CA MET A 141 4.175 0.462 -4.894 1.00 0.00 C ATOM 2262 C MET A 141 2.764 0.957 -5.195 1.00 0.00 C ATOM 2263 O MET A 141 1.847 0.162 -5.401 1.00 0.00 O ATOM 2264 CB MET A 141 4.862 0.026 -6.190 1.00 0.00 C ATOM 2265 CG MET A 141 6.380 0.038 -6.108 1.00 0.00 C ATOM 2266 SD MET A 141 7.135 -1.310 -7.036 1.00 0.00 S ATOM 2267 CE MET A 141 8.792 -0.673 -7.271 1.00 0.00 C ATOM 0 H MET A 141 3.846 -1.532 -4.335 1.00 0.00 H new ATOM 0 HA MET A 141 4.740 1.281 -4.448 1.00 0.00 H new ATOM 0 HB2 MET A 141 4.528 -0.979 -6.448 1.00 0.00 H new ATOM 0 HB3 MET A 141 4.545 0.684 -6.999 1.00 0.00 H new ATOM 0 HG2 MET A 141 6.753 0.989 -6.488 1.00 0.00 H new ATOM 0 HG3 MET A 141 6.684 -0.030 -5.064 1.00 0.00 H new ATOM 0 HE1 MET A 141 9.384 -1.397 -7.832 1.00 0.00 H new ATOM 0 HE2 MET A 141 8.746 0.265 -7.824 1.00 0.00 H new ATOM 0 HE3 MET A 141 9.256 -0.499 -6.300 1.00 0.00 H new ATOM 2277 N THR A 142 2.598 2.275 -5.219 1.00 0.00 N ATOM 2278 CA THR A 142 1.299 2.877 -5.496 1.00 0.00 C ATOM 2279 C THR A 142 1.242 3.418 -6.920 1.00 0.00 C ATOM 2280 O THR A 142 2.244 3.896 -7.453 1.00 0.00 O ATOM 2281 CB THR A 142 1.012 4.001 -4.498 1.00 0.00 C ATOM 2282 OG1 THR A 142 1.757 3.818 -3.308 1.00 0.00 O ATOM 2283 CG2 THR A 142 -0.449 4.102 -4.114 1.00 0.00 C ATOM 0 H THR A 142 3.347 2.947 -5.050 1.00 0.00 H new ATOM 0 HA THR A 142 0.538 2.104 -5.391 1.00 0.00 H new ATOM 0 HB THR A 142 1.302 4.920 -5.008 1.00 0.00 H new ATOM 0 HG1 THR A 142 1.561 4.548 -2.684 1.00 0.00 H new ATOM 0 HG21 THR A 142 -0.583 4.918 -3.404 1.00 0.00 H new ATOM 0 HG22 THR A 142 -1.047 4.294 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 142 -0.770 3.167 -3.656 1.00 0.00 H new ATOM 2291 N TYR A 143 0.065 3.341 -7.531 1.00 0.00 N ATOM 2292 CA TYR A 143 -0.122 3.823 -8.894 1.00 0.00 C ATOM 2293 C TYR A 143 -1.334 4.743 -8.987 1.00 0.00 C ATOM 2294 O TYR A 143 -2.400 4.438 -8.450 1.00 0.00 O ATOM 2295 CB TYR A 143 -0.287 2.645 -9.857 1.00 0.00 C ATOM 2296 CG TYR A 143 -0.396 3.057 -11.307 1.00 0.00 C ATOM 2297 CD1 TYR A 143 0.650 3.713 -11.943 1.00 0.00 C ATOM 2298 CD2 TYR A 143 -1.545 2.790 -12.040 1.00 0.00 C ATOM 2299 CE1 TYR A 143 0.555 4.092 -13.268 1.00 0.00 C ATOM 2300 CE2 TYR A 143 -1.649 3.166 -13.366 1.00 0.00 C ATOM 2301 CZ TYR A 143 -0.597 3.816 -13.975 1.00 0.00 C ATOM 2302 OH TYR A 143 -0.696 4.192 -15.294 1.00 0.00 O ATOM 0 H TYR A 143 -0.774 2.949 -7.104 1.00 0.00 H new ATOM 0 HA TYR A 143 0.765 4.392 -9.174 1.00 0.00 H new ATOM 0 HB2 TYR A 143 0.563 1.972 -9.743 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -1.179 2.083 -9.580 1.00 0.00 H new ATOM 0 HD1 TYR A 143 1.553 3.931 -11.392 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -2.371 2.280 -11.566 1.00 0.00 H new ATOM 0 HE1 TYR A 143 1.378 4.601 -13.748 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -2.550 2.952 -13.922 1.00 0.00 H new ATOM 0 HH TYR A 143 0.163 4.553 -15.597 1.00 0.00 H new ATOM 2312 N ILE A 144 -1.166 5.868 -9.674 1.00 0.00 N ATOM 2313 CA ILE A 144 -2.246 6.834 -9.839 1.00 0.00 C ATOM 2314 C ILE A 144 -2.506 7.119 -11.320 1.00 0.00 C ATOM 2315 O ILE A 144 -1.679 7.734 -11.993 1.00 0.00 O ATOM 2316 CB ILE A 144 -1.930 8.157 -9.112 1.00 0.00 C ATOM 2317 CG1 ILE A 144 -3.120 9.117 -9.203 1.00 0.00 C ATOM 2318 CG2 ILE A 144 -0.677 8.799 -9.692 1.00 0.00 C ATOM 2319 CD1 ILE A 144 -3.943 9.179 -7.934 1.00 0.00 C ATOM 0 H ILE A 144 -0.291 6.133 -10.126 1.00 0.00 H new ATOM 0 HA ILE A 144 -3.140 6.394 -9.397 1.00 0.00 H new ATOM 0 HB ILE A 144 -1.747 7.937 -8.060 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -2.754 10.116 -9.438 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -3.762 8.810 -10.029 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -0.469 9.731 -9.167 1.00 0.00 H new ATOM 0 HG22 ILE A 144 0.168 8.120 -9.574 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -0.831 9.006 -10.751 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.769 9.878 -8.070 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -4.339 8.189 -7.708 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -3.315 9.515 -7.109 1.00 0.00 H new ATOM 2331 N PRO A 145 -3.660 6.673 -11.850 1.00 0.00 N ATOM 2332 CA PRO A 145 -4.016 6.888 -13.257 1.00 0.00 C ATOM 2333 C PRO A 145 -4.320 8.350 -13.562 1.00 0.00 C ATOM 2334 O PRO A 145 -4.865 9.068 -12.725 1.00 0.00 O ATOM 2335 CB PRO A 145 -5.269 6.030 -13.443 1.00 0.00 C ATOM 2336 CG PRO A 145 -5.865 5.932 -12.082 1.00 0.00 C ATOM 2337 CD PRO A 145 -4.707 5.927 -11.123 1.00 0.00 C ATOM 0 HA PRO A 145 -3.199 6.623 -13.928 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -5.963 6.490 -14.147 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -5.020 5.045 -13.838 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -6.531 6.773 -11.886 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -6.460 5.024 -11.981 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -4.964 6.410 -10.180 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -4.386 4.913 -10.885 1.00 0.00 H new ATOM 2345 N GLY A 146 -3.963 8.785 -14.766 1.00 0.00 N ATOM 2346 CA GLY A 146 -4.206 10.161 -15.161 1.00 0.00 C ATOM 2347 C GLY A 146 -5.346 10.288 -16.153 1.00 0.00 C ATOM 2348 O GLY A 146 -5.234 11.006 -17.146 1.00 0.00 O ATOM 0 H GLY A 146 -3.510 8.209 -15.476 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -4.431 10.755 -14.276 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -3.299 10.575 -15.600 1.00 0.00 H new ATOM 2352 N THR A 147 -6.446 9.589 -15.882 1.00 0.00 N ATOM 2353 CA THR A 147 -7.615 9.624 -16.755 1.00 0.00 C ATOM 2354 C THR A 147 -7.317 8.960 -18.096 1.00 0.00 C ATOM 2355 O THR A 147 -7.838 7.885 -18.396 1.00 0.00 O ATOM 2356 CB THR A 147 -8.076 11.067 -16.976 1.00 0.00 C ATOM 2357 OG1 THR A 147 -7.621 11.905 -15.930 1.00 0.00 O ATOM 2358 CG2 THR A 147 -9.581 11.208 -17.057 1.00 0.00 C ATOM 0 H THR A 147 -6.551 8.991 -15.063 1.00 0.00 H new ATOM 0 HA THR A 147 -8.415 9.068 -16.266 1.00 0.00 H new ATOM 0 HB THR A 147 -7.647 11.364 -17.933 1.00 0.00 H new ATOM 0 HG1 THR A 147 -7.925 12.823 -16.091 1.00 0.00 H new ATOM 0 HG21 THR A 147 -9.840 12.255 -17.214 1.00 0.00 H new ATOM 0 HG22 THR A 147 -9.958 10.612 -17.888 1.00 0.00 H new ATOM 0 HG23 THR A 147 -10.030 10.859 -16.127 1.00 0.00 H new ATOM 2366 N TYR A 148 -6.480 9.605 -18.902 1.00 0.00 N ATOM 2367 CA TYR A 148 -6.117 9.075 -20.211 1.00 0.00 C ATOM 2368 C TYR A 148 -4.696 8.520 -20.201 1.00 0.00 C ATOM 2369 O TYR A 148 -4.012 8.523 -21.224 1.00 0.00 O ATOM 2370 CB TYR A 148 -6.244 10.164 -21.278 1.00 0.00 C ATOM 2371 CG TYR A 148 -7.539 10.941 -21.200 1.00 0.00 C ATOM 2372 CD1 TYR A 148 -7.674 12.016 -20.330 1.00 0.00 C ATOM 2373 CD2 TYR A 148 -8.625 10.600 -21.996 1.00 0.00 C ATOM 2374 CE1 TYR A 148 -8.856 12.729 -20.256 1.00 0.00 C ATOM 2375 CE2 TYR A 148 -9.810 11.308 -21.928 1.00 0.00 C ATOM 2376 CZ TYR A 148 -9.920 12.371 -21.056 1.00 0.00 C ATOM 2377 OH TYR A 148 -11.098 13.079 -20.985 1.00 0.00 O ATOM 0 H TYR A 148 -6.040 10.496 -18.671 1.00 0.00 H new ATOM 0 HA TYR A 148 -6.803 8.261 -20.448 1.00 0.00 H new ATOM 0 HB2 TYR A 148 -5.408 10.857 -21.179 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -6.164 9.706 -22.264 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -6.842 12.299 -19.702 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -8.542 9.768 -22.679 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -8.945 13.562 -19.575 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -10.645 11.030 -22.554 1.00 0.00 H new ATOM 0 HH TYR A 148 -11.746 12.699 -21.614 1.00 0.00 H new ATOM 2387 N ASN A 149 -4.258 8.042 -19.039 1.00 0.00 N ATOM 2388 CA ASN A 149 -2.918 7.483 -18.898 1.00 0.00 C ATOM 2389 C ASN A 149 -1.856 8.504 -19.294 1.00 0.00 C ATOM 2390 O ASN A 149 -1.432 8.559 -20.449 1.00 0.00 O ATOM 2391 CB ASN A 149 -2.777 6.224 -19.755 1.00 0.00 C ATOM 2392 CG ASN A 149 -1.972 5.141 -19.064 1.00 0.00 C ATOM 2393 OD1 ASN A 149 -2.361 4.641 -18.008 1.00 0.00 O ATOM 2394 ND2 ASN A 149 -0.843 4.772 -19.658 1.00 0.00 N ATOM 0 H ASN A 149 -4.812 8.031 -18.182 1.00 0.00 H new ATOM 0 HA ASN A 149 -2.769 7.221 -17.851 1.00 0.00 H new ATOM 0 HB2 ASN A 149 -3.768 5.839 -19.995 1.00 0.00 H new ATOM 0 HB3 ASN A 149 -2.298 6.482 -20.699 1.00 0.00 H new ATOM 0 HD21 ASN A 149 -0.260 4.047 -19.240 1.00 0.00 H new ATOM 0 HD22 ASN A 149 -0.559 5.213 -20.533 1.00 0.00 H new ATOM 2401 N ASN A 150 -1.430 9.312 -18.329 1.00 0.00 N ATOM 2402 CA ASN A 150 -0.417 10.331 -18.577 1.00 0.00 C ATOM 2403 C ASN A 150 -0.027 11.038 -17.282 1.00 0.00 C ATOM 2404 O ASN A 150 -0.880 11.348 -16.451 1.00 0.00 O ATOM 2405 CB ASN A 150 -0.930 11.352 -19.593 1.00 0.00 C ATOM 2406 CG ASN A 150 0.190 12.172 -20.204 1.00 0.00 C ATOM 2407 OD1 ASN A 150 0.910 12.882 -19.502 1.00 0.00 O ATOM 2408 ND2 ASN A 150 0.342 12.076 -21.520 1.00 0.00 N ATOM 0 H ASN A 150 -1.771 9.281 -17.368 1.00 0.00 H new ATOM 0 HA ASN A 150 0.467 9.838 -18.981 1.00 0.00 H new ATOM 0 HB2 ASN A 150 -1.470 10.833 -20.385 1.00 0.00 H new ATOM 0 HB3 ASN A 150 -1.641 12.019 -19.106 1.00 0.00 H new ATOM 0 HD21 ASN A 150 1.079 12.603 -21.988 1.00 0.00 H new ATOM 0 HD22 ASN A 150 -0.278 11.475 -22.063 1.00 0.00 H new ATOM 2415 N GLY A 151 1.269 11.290 -17.119 1.00 0.00 N ATOM 2416 CA GLY A 151 1.749 11.957 -15.924 1.00 0.00 C ATOM 2417 C GLY A 151 1.544 11.128 -14.673 1.00 0.00 C ATOM 2418 O GLY A 151 1.272 11.667 -13.600 1.00 0.00 O ATOM 0 H GLY A 151 1.994 11.044 -17.793 1.00 0.00 H new ATOM 0 HA2 GLY A 151 2.810 12.180 -16.038 1.00 0.00 H new ATOM 0 HA3 GLY A 151 1.233 12.911 -15.812 1.00 0.00 H new ATOM 2422 N ASN A 152 1.673 9.812 -14.810 1.00 0.00 N ATOM 2423 CA ASN A 152 1.500 8.906 -13.680 1.00 0.00 C ATOM 2424 C ASN A 152 2.571 9.145 -12.622 1.00 0.00 C ATOM 2425 O ASN A 152 3.555 9.844 -12.866 1.00 0.00 O ATOM 2426 CB ASN A 152 1.550 7.453 -14.155 1.00 0.00 C ATOM 2427 CG ASN A 152 0.355 7.084 -15.013 1.00 0.00 C ATOM 2428 OD1 ASN A 152 0.622 6.584 -16.214 1.00 0.00 O flip ATOM 2429 ND2 ASN A 152 -0.794 7.245 -14.601 1.00 0.00 N flip ATOM 0 H ASN A 152 1.896 9.350 -15.691 1.00 0.00 H new ATOM 0 HA ASN A 152 0.525 9.102 -13.233 1.00 0.00 H new ATOM 0 HB2 ASN A 152 2.466 7.291 -14.723 1.00 0.00 H new ATOM 0 HB3 ASN A 152 1.590 6.792 -13.289 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -0.953 7.633 -13.671 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -1.587 6.991 -15.190 1.00 0.00 H new ATOM 2436 N VAL A 153 2.373 8.561 -11.445 1.00 0.00 N ATOM 2437 CA VAL A 153 3.321 8.709 -10.349 1.00 0.00 C ATOM 2438 C VAL A 153 3.599 7.369 -9.677 1.00 0.00 C ATOM 2439 O VAL A 153 2.674 6.617 -9.366 1.00 0.00 O ATOM 2440 CB VAL A 153 2.807 9.704 -9.291 1.00 0.00 C ATOM 2441 CG1 VAL A 153 3.891 10.004 -8.267 1.00 0.00 C ATOM 2442 CG2 VAL A 153 2.321 10.984 -9.955 1.00 0.00 C ATOM 0 H VAL A 153 1.563 7.980 -11.226 1.00 0.00 H new ATOM 0 HA VAL A 153 4.245 9.094 -10.781 1.00 0.00 H new ATOM 0 HB VAL A 153 1.965 9.249 -8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 153 3.509 10.709 -7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 153 4.187 9.081 -7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 153 4.756 10.438 -8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 153 1.961 11.675 -9.193 1.00 0.00 H new ATOM 0 HG22 VAL A 153 3.143 11.444 -10.504 1.00 0.00 H new ATOM 0 HG23 VAL A 153 1.510 10.751 -10.645 1.00 0.00 H new ATOM 2452 N TYR A 154 4.876 7.077 -9.455 1.00 0.00 N ATOM 2453 CA TYR A 154 5.273 5.825 -8.821 1.00 0.00 C ATOM 2454 C TYR A 154 5.702 6.059 -7.376 1.00 0.00 C ATOM 2455 O TYR A 154 6.666 6.777 -7.112 1.00 0.00 O ATOM 2456 CB TYR A 154 6.414 5.171 -9.603 1.00 0.00 C ATOM 2457 CG TYR A 154 5.943 4.311 -10.754 1.00 0.00 C ATOM 2458 CD1 TYR A 154 4.949 4.755 -11.618 1.00 0.00 C ATOM 2459 CD2 TYR A 154 6.492 3.055 -10.977 1.00 0.00 C ATOM 2460 CE1 TYR A 154 4.516 3.971 -12.670 1.00 0.00 C ATOM 2461 CE2 TYR A 154 6.064 2.265 -12.027 1.00 0.00 C ATOM 2462 CZ TYR A 154 5.077 2.727 -12.870 1.00 0.00 C ATOM 2463 OH TYR A 154 4.649 1.944 -13.918 1.00 0.00 O ATOM 0 H TYR A 154 5.653 7.689 -9.704 1.00 0.00 H new ATOM 0 HA TYR A 154 4.411 5.158 -8.823 1.00 0.00 H new ATOM 0 HB2 TYR A 154 7.073 5.950 -9.988 1.00 0.00 H new ATOM 0 HB3 TYR A 154 7.007 4.560 -8.922 1.00 0.00 H new ATOM 0 HD1 TYR A 154 4.508 5.729 -11.465 1.00 0.00 H new ATOM 0 HD2 TYR A 154 7.266 2.690 -10.319 1.00 0.00 H new ATOM 0 HE1 TYR A 154 3.742 4.330 -13.332 1.00 0.00 H new ATOM 0 HE2 TYR A 154 6.501 1.290 -12.186 1.00 0.00 H new ATOM 0 HH TYR A 154 5.146 1.099 -13.919 1.00 0.00 H new ATOM 2473 N PHE A 155 4.981 5.446 -6.443 1.00 0.00 N ATOM 2474 CA PHE A 155 5.287 5.586 -5.025 1.00 0.00 C ATOM 2475 C PHE A 155 5.974 4.334 -4.490 1.00 0.00 C ATOM 2476 O PHE A 155 5.746 3.230 -4.985 1.00 0.00 O ATOM 2477 CB PHE A 155 4.009 5.858 -4.230 1.00 0.00 C ATOM 2478 CG PHE A 155 3.461 7.243 -4.428 1.00 0.00 C ATOM 2479 CD1 PHE A 155 2.552 7.505 -5.440 1.00 0.00 C ATOM 2480 CD2 PHE A 155 3.856 8.283 -3.602 1.00 0.00 C ATOM 2481 CE1 PHE A 155 2.047 8.777 -5.626 1.00 0.00 C ATOM 2482 CE2 PHE A 155 3.354 9.558 -3.782 1.00 0.00 C ATOM 2483 CZ PHE A 155 2.448 9.806 -4.795 1.00 0.00 C ATOM 0 H PHE A 155 4.180 4.847 -6.644 1.00 0.00 H new ATOM 0 HA PHE A 155 5.967 6.430 -4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 155 3.250 5.131 -4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 155 4.211 5.704 -3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 155 2.234 6.705 -6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 155 4.564 8.095 -2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 155 1.340 8.967 -6.420 1.00 0.00 H new ATOM 0 HE2 PHE A 155 3.670 10.360 -3.131 1.00 0.00 H new ATOM 0 HZ PHE A 155 2.054 10.801 -4.937 1.00 0.00 H new ATOM 2493 N ALA A 156 6.819 4.513 -3.480 1.00 0.00 N ATOM 2494 CA ALA A 156 7.540 3.397 -2.880 1.00 0.00 C ATOM 2495 C ALA A 156 7.418 3.416 -1.360 1.00 0.00 C ATOM 2496 O ALA A 156 7.564 4.462 -0.728 1.00 0.00 O ATOM 2497 CB ALA A 156 9.004 3.432 -3.294 1.00 0.00 C ATOM 0 H ALA A 156 7.021 5.420 -3.060 1.00 0.00 H new ATOM 0 HA ALA A 156 7.092 2.471 -3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 156 9.531 2.593 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 156 9.077 3.361 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 156 9.454 4.367 -2.961 1.00 0.00 H new ATOM 2503 N TRP A 157 7.149 2.251 -0.779 1.00 0.00 N ATOM 2504 CA TRP A 157 7.008 2.132 0.667 1.00 0.00 C ATOM 2505 C TRP A 157 7.585 0.810 1.163 1.00 0.00 C ATOM 2506 O TRP A 157 7.421 -0.229 0.523 1.00 0.00 O ATOM 2507 CB TRP A 157 5.535 2.241 1.068 1.00 0.00 C ATOM 2508 CG TRP A 157 4.872 3.485 0.562 1.00 0.00 C ATOM 2509 CD1 TRP A 157 4.070 3.597 -0.538 1.00 0.00 C ATOM 2510 CD2 TRP A 157 4.951 4.794 1.135 1.00 0.00 C ATOM 2511 NE1 TRP A 157 3.648 4.896 -0.683 1.00 0.00 N ATOM 2512 CE2 TRP A 157 4.175 5.650 0.332 1.00 0.00 C ATOM 2513 CE3 TRP A 157 5.603 5.326 2.252 1.00 0.00 C ATOM 2514 CZ2 TRP A 157 4.033 7.008 0.609 1.00 0.00 C ATOM 2515 CZ3 TRP A 157 5.463 6.674 2.526 1.00 0.00 C ATOM 2516 CH2 TRP A 157 4.683 7.501 1.708 1.00 0.00 C ATOM 0 H TRP A 157 7.024 1.376 -1.288 1.00 0.00 H new ATOM 0 HA TRP A 157 7.565 2.947 1.129 1.00 0.00 H new ATOM 0 HB2 TRP A 157 4.998 1.372 0.689 1.00 0.00 H new ATOM 0 HB3 TRP A 157 5.459 2.214 2.155 1.00 0.00 H new ATOM 0 HD1 TRP A 157 3.806 2.783 -1.197 1.00 0.00 H new ATOM 0 HE1 TRP A 157 3.041 5.243 -1.426 1.00 0.00 H new ATOM 0 HE3 TRP A 157 6.205 4.695 2.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 3.432 7.648 -0.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 5.963 7.096 3.385 1.00 0.00 H new ATOM 0 HH2 TRP A 157 4.593 8.550 1.949 1.00 0.00 H new ATOM 2527 N MET A 158 8.263 0.856 2.305 1.00 0.00 N ATOM 2528 CA MET A 158 8.866 -0.340 2.885 1.00 0.00 C ATOM 2529 C MET A 158 7.958 -0.945 3.951 1.00 0.00 C ATOM 2530 O MET A 158 7.250 -0.229 4.658 1.00 0.00 O ATOM 2531 CB MET A 158 10.232 -0.005 3.488 1.00 0.00 C ATOM 2532 CG MET A 158 11.336 -0.958 3.059 1.00 0.00 C ATOM 2533 SD MET A 158 12.955 -0.473 3.686 1.00 0.00 S ATOM 2534 CE MET A 158 13.470 0.693 2.428 1.00 0.00 C ATOM 0 H MET A 158 8.409 1.707 2.847 1.00 0.00 H new ATOM 0 HA MET A 158 8.998 -1.074 2.090 1.00 0.00 H new ATOM 0 HB2 MET A 158 10.508 1.010 3.201 1.00 0.00 H new ATOM 0 HB3 MET A 158 10.153 -0.019 4.575 1.00 0.00 H new ATOM 0 HG2 MET A 158 11.101 -1.962 3.411 1.00 0.00 H new ATOM 0 HG3 MET A 158 11.370 -1.001 1.970 1.00 0.00 H new ATOM 0 HE1 MET A 158 14.292 1.300 2.809 1.00 0.00 H new ATOM 0 HE2 MET A 158 13.800 0.150 1.542 1.00 0.00 H new ATOM 0 HE3 MET A 158 12.632 1.340 2.167 1.00 0.00 H new ATOM 2544 N ARG A 159 7.985 -2.270 4.060 1.00 0.00 N ATOM 2545 CA ARG A 159 7.166 -2.973 5.040 1.00 0.00 C ATOM 2546 C ARG A 159 7.942 -4.124 5.671 1.00 0.00 C ATOM 2547 O ARG A 159 8.752 -4.776 5.012 1.00 0.00 O ATOM 2548 CB ARG A 159 5.888 -3.503 4.383 1.00 0.00 C ATOM 2549 CG ARG A 159 4.693 -2.574 4.542 1.00 0.00 C ATOM 2550 CD ARG A 159 3.587 -3.212 5.369 1.00 0.00 C ATOM 2551 NE ARG A 159 2.356 -3.380 4.601 1.00 0.00 N ATOM 2552 CZ ARG A 159 2.163 -4.353 3.712 1.00 0.00 C ATOM 2553 NH1 ARG A 159 3.116 -5.245 3.477 1.00 0.00 N ATOM 2554 NH2 ARG A 159 1.013 -4.433 3.057 1.00 0.00 N ATOM 0 H ARG A 159 8.565 -2.878 3.482 1.00 0.00 H new ATOM 0 HA ARG A 159 6.896 -2.266 5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 159 6.075 -3.663 3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 159 5.643 -4.474 4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 159 5.014 -1.647 5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 159 4.305 -2.310 3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 159 3.922 -4.183 5.734 1.00 0.00 H new ATOM 0 HD3 ARG A 159 3.387 -2.594 6.244 1.00 0.00 H new ATOM 0 HE ARG A 159 1.600 -2.713 4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 159 4.003 -5.188 3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.962 -5.988 2.795 1.00 0.00 H new ATOM 0 HH21 ARG A 159 0.277 -3.750 3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 159 0.865 -5.178 2.376 1.00 0.00 H new ATOM 2568 N PHE A 160 7.690 -4.368 6.953 1.00 0.00 N ATOM 2569 CA PHE A 160 8.365 -5.441 7.674 1.00 0.00 C ATOM 2570 C PHE A 160 7.376 -6.228 8.528 1.00 0.00 C ATOM 2571 O PHE A 160 6.692 -5.665 9.382 1.00 0.00 O ATOM 2572 CB PHE A 160 9.478 -4.869 8.554 1.00 0.00 C ATOM 2573 CG PHE A 160 10.778 -5.612 8.439 1.00 0.00 C ATOM 2574 CD1 PHE A 160 11.627 -5.388 7.367 1.00 0.00 C ATOM 2575 CD2 PHE A 160 11.151 -6.536 9.402 1.00 0.00 C ATOM 2576 CE1 PHE A 160 12.823 -6.072 7.258 1.00 0.00 C ATOM 2577 CE2 PHE A 160 12.346 -7.223 9.298 1.00 0.00 C ATOM 2578 CZ PHE A 160 13.183 -6.990 8.225 1.00 0.00 C ATOM 0 H PHE A 160 7.023 -3.837 7.514 1.00 0.00 H new ATOM 0 HA PHE A 160 8.803 -6.119 6.942 1.00 0.00 H new ATOM 0 HB2 PHE A 160 9.641 -3.825 8.286 1.00 0.00 H new ATOM 0 HB3 PHE A 160 9.151 -4.884 9.594 1.00 0.00 H new ATOM 0 HD1 PHE A 160 11.351 -4.671 6.608 1.00 0.00 H new ATOM 0 HD2 PHE A 160 10.500 -6.722 10.244 1.00 0.00 H new ATOM 0 HE1 PHE A 160 13.476 -5.889 6.417 1.00 0.00 H new ATOM 0 HE2 PHE A 160 12.625 -7.941 10.055 1.00 0.00 H new ATOM 0 HZ PHE A 160 14.118 -7.525 8.142 1.00 0.00 H new ATOM 2588 N GLN A 161 7.306 -7.534 8.291 1.00 0.00 N ATOM 2589 CA GLN A 161 6.401 -8.399 9.039 1.00 0.00 C ATOM 2590 C GLN A 161 7.149 -9.161 10.126 1.00 0.00 C ATOM 2591 O GLN A 161 8.066 -9.932 9.841 1.00 0.00 O ATOM 2592 CB GLN A 161 5.708 -9.384 8.094 1.00 0.00 C ATOM 2593 CG GLN A 161 4.259 -9.660 8.461 1.00 0.00 C ATOM 2594 CD GLN A 161 4.124 -10.695 9.560 1.00 0.00 C ATOM 2595 OE1 GLN A 161 4.768 -10.597 10.604 1.00 0.00 O ATOM 2596 NE2 GLN A 161 3.283 -11.697 9.329 1.00 0.00 N ATOM 0 H GLN A 161 7.865 -8.016 7.587 1.00 0.00 H new ATOM 0 HA GLN A 161 5.649 -7.770 9.515 1.00 0.00 H new ATOM 0 HB2 GLN A 161 5.748 -8.990 7.078 1.00 0.00 H new ATOM 0 HB3 GLN A 161 6.260 -10.324 8.094 1.00 0.00 H new ATOM 0 HG2 GLN A 161 3.786 -8.732 8.781 1.00 0.00 H new ATOM 0 HG3 GLN A 161 3.723 -10.003 7.576 1.00 0.00 H new ATOM 0 HE21 GLN A 161 2.769 -11.739 8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 161 3.151 -12.424 10.032 1.00 0.00 H new ATOM 2605 N PHE A 162 6.754 -8.941 11.376 1.00 0.00 N ATOM 2606 CA PHE A 162 7.387 -9.606 12.508 1.00 0.00 C ATOM 2607 C PHE A 162 6.341 -10.174 13.461 1.00 0.00 C ATOM 2608 O PHE A 162 5.224 -9.665 13.547 1.00 0.00 O ATOM 2609 CB PHE A 162 8.298 -8.631 13.255 1.00 0.00 C ATOM 2610 CG PHE A 162 9.558 -9.265 13.775 1.00 0.00 C ATOM 2611 CD1 PHE A 162 9.523 -10.100 14.880 1.00 0.00 C ATOM 2612 CD2 PHE A 162 10.775 -9.025 13.158 1.00 0.00 C ATOM 2613 CE1 PHE A 162 10.680 -10.684 15.360 1.00 0.00 C ATOM 2614 CE2 PHE A 162 11.935 -9.607 13.634 1.00 0.00 C ATOM 2615 CZ PHE A 162 11.887 -10.438 14.736 1.00 0.00 C ATOM 0 H PHE A 162 5.997 -8.306 11.630 1.00 0.00 H new ATOM 0 HA PHE A 162 7.987 -10.431 12.123 1.00 0.00 H new ATOM 0 HB2 PHE A 162 8.562 -7.810 12.588 1.00 0.00 H new ATOM 0 HB3 PHE A 162 7.747 -8.199 14.090 1.00 0.00 H new ATOM 0 HD1 PHE A 162 8.582 -10.297 15.371 1.00 0.00 H new ATOM 0 HD2 PHE A 162 10.818 -8.376 12.296 1.00 0.00 H new ATOM 0 HE1 PHE A 162 10.640 -11.332 16.223 1.00 0.00 H new ATOM 0 HE2 PHE A 162 12.878 -9.412 13.145 1.00 0.00 H new ATOM 0 HZ PHE A 162 12.792 -10.895 15.109 1.00 0.00 H new ATOM 2625 N LEU A 163 6.712 -11.232 14.175 1.00 0.00 N ATOM 2626 CA LEU A 163 5.806 -11.869 15.123 1.00 0.00 C ATOM 2627 C LEU A 163 6.495 -12.099 16.465 1.00 0.00 C ATOM 2628 O LEU A 163 7.701 -12.339 16.521 1.00 0.00 O ATOM 2629 CB LEU A 163 5.300 -13.200 14.562 1.00 0.00 C ATOM 2630 CG LEU A 163 4.264 -13.917 15.429 1.00 0.00 C ATOM 2631 CD1 LEU A 163 2.860 -13.453 15.074 1.00 0.00 C ATOM 2632 CD2 LEU A 163 4.386 -15.425 15.267 1.00 0.00 C ATOM 0 H LEU A 163 7.633 -11.666 14.115 1.00 0.00 H new ATOM 0 HA LEU A 163 4.958 -11.202 15.280 1.00 0.00 H new ATOM 0 HB2 LEU A 163 4.866 -13.021 13.578 1.00 0.00 H new ATOM 0 HB3 LEU A 163 6.153 -13.864 14.418 1.00 0.00 H new ATOM 0 HG LEU A 163 4.455 -13.667 16.473 1.00 0.00 H new ATOM 0 HD11 LEU A 163 2.136 -13.973 15.700 1.00 0.00 H new ATOM 0 HD12 LEU A 163 2.779 -12.379 15.241 1.00 0.00 H new ATOM 0 HD13 LEU A 163 2.658 -13.674 14.026 1.00 0.00 H new ATOM 0 HD21 LEU A 163 3.641 -15.919 15.891 1.00 0.00 H new ATOM 0 HD22 LEU A 163 4.221 -15.693 14.224 1.00 0.00 H new ATOM 0 HD23 LEU A 163 5.383 -15.744 15.570 1.00 0.00 H new ATOM 2644 N GLU A 164 5.721 -12.022 17.542 1.00 0.00 N ATOM 2645 CA GLU A 164 6.259 -12.221 18.884 1.00 0.00 C ATOM 2646 C GLU A 164 6.225 -13.695 19.271 1.00 0.00 C ATOM 2647 O GLU A 164 5.155 -14.295 19.381 1.00 0.00 O ATOM 2648 CB GLU A 164 5.466 -11.397 19.901 1.00 0.00 C ATOM 2649 CG GLU A 164 5.943 -9.960 20.023 1.00 0.00 C ATOM 2650 CD GLU A 164 7.404 -9.862 20.416 1.00 0.00 C ATOM 2651 OE1 GLU A 164 8.201 -9.336 19.611 1.00 0.00 O ATOM 2652 OE2 GLU A 164 7.752 -10.310 21.529 1.00 0.00 O ATOM 0 H GLU A 164 4.721 -11.824 17.513 1.00 0.00 H new ATOM 0 HA GLU A 164 7.297 -11.887 18.885 1.00 0.00 H new ATOM 0 HB2 GLU A 164 4.414 -11.399 19.616 1.00 0.00 H new ATOM 0 HB3 GLU A 164 5.533 -11.878 20.877 1.00 0.00 H new ATOM 0 HG2 GLU A 164 5.791 -9.449 19.072 1.00 0.00 H new ATOM 0 HG3 GLU A 164 5.336 -9.441 20.765 1.00 0.00 H new ATOM 2660 N HIS A 165 7.403 -14.275 19.475 1.00 0.00 N ATOM 2661 CA HIS A 165 7.508 -15.681 19.851 1.00 0.00 C ATOM 2662 C HIS A 165 7.017 -15.899 21.278 1.00 0.00 C ATOM 2663 O HIS A 165 7.537 -15.304 22.223 1.00 0.00 O ATOM 2664 CB HIS A 165 8.955 -16.160 19.717 1.00 0.00 C ATOM 2665 CG HIS A 165 9.302 -16.638 18.342 1.00 0.00 C ATOM 2666 ND1 HIS A 165 8.439 -17.381 17.563 1.00 0.00 N ATOM 2667 CD2 HIS A 165 10.427 -16.477 17.605 1.00 0.00 C ATOM 2668 CE1 HIS A 165 9.019 -17.656 16.408 1.00 0.00 C ATOM 2669 NE2 HIS A 165 10.224 -17.118 16.408 1.00 0.00 N ATOM 0 H HIS A 165 8.298 -13.794 19.386 1.00 0.00 H new ATOM 0 HA HIS A 165 6.878 -16.261 19.176 1.00 0.00 H new ATOM 0 HB2 HIS A 165 9.626 -15.345 19.989 1.00 0.00 H new ATOM 0 HB3 HIS A 165 9.129 -16.967 20.428 1.00 0.00 H new ATOM 0 HD2 HIS A 165 11.318 -15.944 17.903 1.00 0.00 H new ATOM 0 HE1 HIS A 165 8.581 -18.225 15.601 1.00 0.00 H new ATOM 0 HE2 HIS A 165 10.896 -17.170 15.642 1.00 0.00 H new ATOM 2678 N HIS A 166 6.014 -16.757 21.430 1.00 0.00 N ATOM 2679 CA HIS A 166 5.454 -17.054 22.743 1.00 0.00 C ATOM 2680 C HIS A 166 6.371 -17.984 23.530 1.00 0.00 C ATOM 2681 O HIS A 166 6.886 -17.617 24.586 1.00 0.00 O ATOM 2682 CB HIS A 166 4.068 -17.685 22.599 1.00 0.00 C ATOM 2683 CG HIS A 166 3.092 -17.227 23.638 1.00 0.00 C ATOM 2684 ND1 HIS A 166 2.612 -15.935 23.704 1.00 0.00 N ATOM 2685 CD2 HIS A 166 2.502 -17.898 24.656 1.00 0.00 C ATOM 2686 CE1 HIS A 166 1.772 -15.831 24.718 1.00 0.00 C ATOM 2687 NE2 HIS A 166 1.688 -17.007 25.311 1.00 0.00 N ATOM 0 H HIS A 166 5.572 -17.259 20.660 1.00 0.00 H new ATOM 0 HA HIS A 166 5.363 -16.116 23.291 1.00 0.00 H new ATOM 0 HB2 HIS A 166 3.672 -17.450 21.611 1.00 0.00 H new ATOM 0 HB3 HIS A 166 4.164 -18.769 22.655 1.00 0.00 H new ATOM 0 HD2 HIS A 166 2.645 -18.939 24.906 1.00 0.00 H new ATOM 0 HE1 HIS A 166 1.244 -14.936 25.012 1.00 0.00 H new ATOM 0 HE2 HIS A 166 1.111 -17.220 26.125 1.00 0.00 H new ATOM 2696 N HIS A 167 6.571 -19.190 23.008 1.00 0.00 N ATOM 2697 CA HIS A 167 7.426 -20.173 23.663 1.00 0.00 C ATOM 2698 C HIS A 167 7.549 -21.438 22.819 1.00 0.00 C ATOM 2699 O HIS A 167 6.546 -22.011 22.394 1.00 0.00 O ATOM 2700 CB HIS A 167 6.872 -20.521 25.046 1.00 0.00 C ATOM 2701 CG HIS A 167 7.933 -20.741 26.079 1.00 0.00 C ATOM 2702 ND1 HIS A 167 8.236 -19.816 27.055 1.00 0.00 N ATOM 2703 CD2 HIS A 167 8.765 -21.789 26.285 1.00 0.00 C ATOM 2704 CE1 HIS A 167 9.209 -20.286 27.818 1.00 0.00 C ATOM 2705 NE2 HIS A 167 9.547 -21.481 27.371 1.00 0.00 N ATOM 0 H HIS A 167 6.153 -19.510 22.134 1.00 0.00 H new ATOM 0 HA HIS A 167 8.418 -19.736 23.776 1.00 0.00 H new ATOM 0 HB2 HIS A 167 6.215 -19.717 25.378 1.00 0.00 H new ATOM 0 HB3 HIS A 167 6.261 -21.420 24.968 1.00 0.00 H new ATOM 0 HD2 HIS A 167 8.806 -22.698 25.703 1.00 0.00 H new ATOM 0 HE1 HIS A 167 9.651 -19.779 28.663 1.00 0.00 H new ATOM 0 HE2 HIS A 167 10.272 -22.079 27.768 1.00 0.00 H new ATOM 2714 N HIS A 168 8.784 -21.867 22.581 1.00 0.00 N ATOM 2715 CA HIS A 168 9.038 -23.065 21.789 1.00 0.00 C ATOM 2716 C HIS A 168 9.499 -24.216 22.677 1.00 0.00 C ATOM 2717 O HIS A 168 10.481 -24.093 23.409 1.00 0.00 O ATOM 2718 CB HIS A 168 10.092 -22.779 20.718 1.00 0.00 C ATOM 2719 CG HIS A 168 11.380 -22.253 21.272 1.00 0.00 C ATOM 2720 ND1 HIS A 168 11.706 -21.027 21.747 1.00 0.00 N flip ATOM 2721 CD2 HIS A 168 12.520 -23.021 21.384 1.00 0.00 C flip ATOM 2722 CE1 HIS A 168 13.023 -21.078 22.134 1.00 0.00 C flip ATOM 2723 NE2 HIS A 168 13.490 -22.292 21.905 1.00 0.00 N flip ATOM 0 H HIS A 168 9.625 -21.403 22.925 1.00 0.00 H new ATOM 0 HA HIS A 168 8.106 -23.354 21.304 1.00 0.00 H new ATOM 0 HB2 HIS A 168 10.292 -23.695 20.163 1.00 0.00 H new ATOM 0 HB3 HIS A 168 9.690 -22.057 20.007 1.00 0.00 H new ATOM 0 HD2 HIS A 168 12.606 -24.057 21.091 1.00 0.00 H new ATOM 0 HE1 HIS A 168 13.585 -20.259 22.557 1.00 0.00 H new ATOM 0 HE2 HIS A 168 14.439 -22.612 22.098 1.00 0.00 H new ATOM 2732 N HIS A 169 8.783 -25.333 22.609 1.00 0.00 N ATOM 2733 CA HIS A 169 9.120 -26.506 23.408 1.00 0.00 C ATOM 2734 C HIS A 169 8.370 -27.738 22.911 1.00 0.00 C ATOM 2735 O HIS A 169 8.018 -28.620 23.695 1.00 0.00 O ATOM 2736 CB HIS A 169 8.794 -26.255 24.881 1.00 0.00 C ATOM 2737 CG HIS A 169 9.791 -26.852 25.824 1.00 0.00 C ATOM 2738 ND1 HIS A 169 11.014 -26.274 26.094 1.00 0.00 N ATOM 2739 CD2 HIS A 169 9.742 -27.984 26.566 1.00 0.00 C ATOM 2740 CE1 HIS A 169 11.674 -27.024 26.959 1.00 0.00 C ATOM 2741 NE2 HIS A 169 10.923 -28.067 27.261 1.00 0.00 N ATOM 0 H HIS A 169 7.966 -25.451 22.009 1.00 0.00 H new ATOM 0 HA HIS A 169 10.190 -26.690 23.306 1.00 0.00 H new ATOM 0 HB2 HIS A 169 8.740 -25.180 25.055 1.00 0.00 H new ATOM 0 HB3 HIS A 169 7.808 -26.664 25.101 1.00 0.00 H new ATOM 0 HD2 HIS A 169 8.926 -28.690 26.604 1.00 0.00 H new ATOM 0 HE1 HIS A 169 12.659 -26.819 27.352 1.00 0.00 H new ATOM 0 HE2 HIS A 169 11.179 -28.814 27.907 1.00 0.00 H new ATOM 2750 N HIS A 170 8.129 -27.793 21.606 1.00 0.00 N ATOM 2751 CA HIS A 170 7.420 -28.917 21.005 1.00 0.00 C ATOM 2752 C HIS A 170 8.341 -29.712 20.085 1.00 0.00 C ATOM 2753 O HIS A 170 7.821 -30.450 19.221 1.00 0.00 O ATOM 2754 CB HIS A 170 6.202 -28.422 20.225 1.00 0.00 C ATOM 2755 CG HIS A 170 4.993 -29.290 20.389 1.00 0.00 C ATOM 2756 ND1 HIS A 170 4.443 -30.020 19.356 1.00 0.00 N ATOM 2757 CD2 HIS A 170 4.227 -29.546 21.476 1.00 0.00 C ATOM 2758 CE1 HIS A 170 3.392 -30.686 19.799 1.00 0.00 C ATOM 2759 NE2 HIS A 170 3.239 -30.415 21.082 1.00 0.00 N ATOM 2760 OXT HIS A 170 9.575 -29.589 20.234 1.00 0.00 O ATOM 0 H HIS A 170 8.414 -27.072 20.943 1.00 0.00 H new ATOM 0 HA HIS A 170 7.084 -29.573 21.808 1.00 0.00 H new ATOM 0 HB2 HIS A 170 5.959 -27.410 20.550 1.00 0.00 H new ATOM 0 HB3 HIS A 170 6.457 -28.365 19.167 1.00 0.00 H new ATOM 0 HD2 HIS A 170 4.367 -29.142 22.468 1.00 0.00 H new ATOM 0 HE1 HIS A 170 2.765 -31.341 19.212 1.00 0.00 H new ATOM 0 HE2 HIS A 170 2.506 -30.790 21.683 1.00 0.00 H new TER 2769 HIS A 170