USER MOD reduce.3.24.130724 H: found=0, std=0, add=1180, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1172 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: B 17 HIS :FLIP no HD1:sc= -4.54! C(o=-11!,f=-5.9!) USER MOD Set 1.2: B 58 THR OG1 : rot 159:sc= -1.4 USER MOD Set 2.1: A 17 HIS :FLIP no HE2:sc= -4.79! C(o=-11!,f=-6.3!) USER MOD Set 2.2: A 58 THR OG1 : rot -172:sc= -1.48 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 72:sc= 1.01 USER MOD Single : A 4 ASN : amide:sc= -2.23 K(o=-2.2,f=-6.7!) USER MOD Single : A 5 THR OG1 : rot -80:sc= 1.27 USER MOD Single : A 7 SER OG : rot 130:sc= -0.894 USER MOD Single : A 8 SER OG : rot 33:sc= 1.52 USER MOD Single : A 10 GLN : amide:sc= -3.05 K(o=-3.1,f=-5.1!) USER MOD Single : A 13 CYS SG : rot 120:sc= -2.91 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -1.95 F(o=-3.1!,f=-1.9) USER MOD Single : A 25 GLN : amide:sc= -0.11 K(o=-0.11,f=-2.2!) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.845 F(o=-3.1!,f=-0.85) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.0035) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.088) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -113:sc= -1.68 (180deg=-6.18!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= -0.0625 (180deg=-0.0625) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 63:sc= 1.12 USER MOD Single : B 4 ASN : amide:sc= -2.27 K(o=-2.3,f=-6.1!) USER MOD Single : B 5 THR OG1 : rot -57:sc= 1.26 USER MOD Single : B 7 SER OG : rot 120:sc= -1.04 USER MOD Single : B 8 SER OG : rot 30:sc= 1.43 USER MOD Single : B 10 GLN : amide:sc= -2.73 K(o=-2.7,f=-5!) USER MOD Single : B 13 CYS SG : rot 120:sc= -2.91 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN :FLIP amide:sc= -1.62 F(o=-2.8,f=-1.6) USER MOD Single : B 25 GLN : amide:sc= -0.117 K(o=-0.12,f=-2.1!) USER MOD Single : B 40 GLN :FLIP amide:sc= -0.712 F(o=-3.1!,f=-0.71) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 ASN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : B 59 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.016) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.16) USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ -110:sc= -1.52 (180deg=-6.15!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.550 12.444 18.438 1.00 0.00 N ATOM 2 CA MET A 1 -9.575 11.637 17.799 1.00 0.00 C ATOM 3 C MET A 1 -9.123 10.176 17.768 1.00 0.00 C ATOM 4 O MET A 1 -8.194 9.862 17.009 1.00 0.00 O ATOM 5 CB MET A 1 -9.824 12.125 16.371 1.00 0.00 C ATOM 6 CG MET A 1 -11.281 12.553 16.183 1.00 0.00 C ATOM 7 SD MET A 1 -12.394 11.208 16.688 1.00 0.00 S ATOM 8 CE MET A 1 -13.622 11.296 15.352 1.00 0.00 C ATOM 0 H1 MET A 1 -8.855 13.438 18.460 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.398 12.106 19.410 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.662 12.366 17.902 1.00 0.00 H new ATOM 0 HA MET A 1 -10.501 11.726 18.367 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.164 12.963 16.149 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.580 11.332 15.664 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.485 13.446 16.773 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.461 12.812 15.140 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.384 10.533 15.508 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.089 12.281 15.352 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.130 11.127 14.394 1.00 0.00 H new ATOM 18 N ASP A 2 -9.776 9.326 18.580 1.00 0.00 N ATOM 19 CA ASP A 2 -9.443 7.913 18.645 1.00 0.00 C ATOM 20 C ASP A 2 -7.979 7.757 19.060 1.00 0.00 C ATOM 21 O ASP A 2 -7.705 7.759 20.270 1.00 0.00 O ATOM 22 CB ASP A 2 -9.621 7.242 17.281 1.00 0.00 C ATOM 23 CG ASP A 2 -11.055 7.233 16.747 1.00 0.00 C ATOM 24 OD1 ASP A 2 -12.024 7.287 17.519 1.00 0.00 O ATOM 25 OD2 ASP A 2 -11.158 7.165 15.463 1.00 0.00 O ATOM 0 H ASP A 2 -10.538 9.605 19.198 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.109 7.443 19.369 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.983 7.749 16.557 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.269 6.213 17.350 1.00 0.00 H new ATOM 30 N SER A 3 -7.081 7.626 18.067 1.00 0.00 N ATOM 31 CA SER A 3 -5.660 7.471 18.328 1.00 0.00 C ATOM 32 C SER A 3 -4.997 6.789 17.131 1.00 0.00 C ATOM 33 O SER A 3 -4.560 7.500 16.214 1.00 0.00 O ATOM 34 CB SER A 3 -5.411 6.666 19.605 1.00 0.00 C ATOM 35 OG SER A 3 -5.202 7.508 20.735 1.00 0.00 O ATOM 0 H SER A 3 -7.327 7.626 17.077 1.00 0.00 H new ATOM 0 HA SER A 3 -5.224 8.459 18.474 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.262 6.012 19.793 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.541 6.024 19.465 1.00 0.00 H new ATOM 0 HG SER A 3 -6.050 7.925 20.994 1.00 0.00 H new ATOM 41 N ASN A 4 -4.936 5.445 17.161 1.00 0.00 N ATOM 42 CA ASN A 4 -4.333 4.678 16.086 1.00 0.00 C ATOM 43 C ASN A 4 -5.273 4.671 14.879 1.00 0.00 C ATOM 44 O ASN A 4 -4.785 4.499 13.752 1.00 0.00 O ATOM 45 CB ASN A 4 -4.098 3.226 16.510 1.00 0.00 C ATOM 46 CG ASN A 4 -2.616 2.859 16.412 1.00 0.00 C ATOM 47 OD1 ASN A 4 -1.751 3.703 16.239 1.00 0.00 O ATOM 48 ND2 ASN A 4 -2.371 1.558 16.535 1.00 0.00 N ATOM 0 H ASN A 4 -5.302 4.878 17.926 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.378 5.141 15.837 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.445 3.081 17.533 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.684 2.559 15.877 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.412 1.213 16.486 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.142 0.905 16.678 1.00 0.00 H new ATOM 55 N THR A 5 -6.581 4.854 15.134 1.00 0.00 N ATOM 56 CA THR A 5 -7.577 4.869 14.076 1.00 0.00 C ATOM 57 C THR A 5 -7.225 5.962 13.066 1.00 0.00 C ATOM 58 O THR A 5 -7.059 5.639 11.880 1.00 0.00 O ATOM 59 CB THR A 5 -8.958 5.047 14.708 1.00 0.00 C ATOM 60 OG1 THR A 5 -9.024 4.022 15.696 1.00 0.00 O ATOM 61 CG2 THR A 5 -10.094 4.705 13.741 1.00 0.00 C ATOM 0 H THR A 5 -6.962 4.993 16.070 1.00 0.00 H new ATOM 0 HA THR A 5 -7.591 3.929 13.525 1.00 0.00 H new ATOM 0 HB THR A 5 -9.069 6.076 15.050 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.242 3.168 15.267 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.052 4.848 14.240 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.038 5.357 12.869 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.002 3.666 13.424 1.00 0.00 H new ATOM 69 N VAL A 6 -7.121 7.214 13.545 1.00 0.00 N ATOM 70 CA VAL A 6 -6.792 8.342 12.690 1.00 0.00 C ATOM 71 C VAL A 6 -5.517 8.026 11.904 1.00 0.00 C ATOM 72 O VAL A 6 -5.502 8.257 10.687 1.00 0.00 O ATOM 73 CB VAL A 6 -6.677 9.618 13.527 1.00 0.00 C ATOM 74 CG1 VAL A 6 -8.060 10.191 13.846 1.00 0.00 C ATOM 75 CG2 VAL A 6 -5.880 9.363 14.809 1.00 0.00 C ATOM 0 H VAL A 6 -7.263 7.459 14.525 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.587 8.516 11.965 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.136 10.358 12.937 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.950 11.097 14.442 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.579 10.428 12.917 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.638 9.456 14.407 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.813 10.286 15.385 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.382 8.599 15.403 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.877 9.022 14.552 1.00 0.00 H new ATOM 85 N SER A 7 -4.490 7.513 12.605 1.00 0.00 N ATOM 86 CA SER A 7 -3.225 7.170 11.977 1.00 0.00 C ATOM 87 C SER A 7 -3.491 6.308 10.742 1.00 0.00 C ATOM 88 O SER A 7 -3.047 6.689 9.649 1.00 0.00 O ATOM 89 CB SER A 7 -2.299 6.435 12.948 1.00 0.00 C ATOM 90 OG SER A 7 -0.977 6.306 12.431 1.00 0.00 O ATOM 0 H SER A 7 -4.523 7.331 13.608 1.00 0.00 H new ATOM 0 HA SER A 7 -2.724 8.092 11.681 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.267 6.973 13.896 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.705 5.445 13.157 1.00 0.00 H new ATOM 0 HG SER A 7 -0.332 6.609 13.104 1.00 0.00 H new ATOM 96 N SER A 8 -4.198 5.180 10.936 1.00 0.00 N ATOM 97 CA SER A 8 -4.518 4.275 9.846 1.00 0.00 C ATOM 98 C SER A 8 -5.194 5.058 8.719 1.00 0.00 C ATOM 99 O SER A 8 -4.946 4.741 7.547 1.00 0.00 O ATOM 100 CB SER A 8 -5.422 3.131 10.313 1.00 0.00 C ATOM 101 OG SER A 8 -5.722 2.222 9.258 1.00 0.00 O ATOM 0 H SER A 8 -4.554 4.883 11.845 1.00 0.00 H new ATOM 0 HA SER A 8 -3.591 3.832 9.482 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.935 2.594 11.127 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.349 3.542 10.712 1.00 0.00 H new ATOM 0 HG SER A 8 -4.958 2.167 8.646 1.00 0.00 H new ATOM 107 N PHE A 9 -6.024 6.051 9.090 1.00 0.00 N ATOM 108 CA PHE A 9 -6.727 6.870 8.117 1.00 0.00 C ATOM 109 C PHE A 9 -5.710 7.554 7.202 1.00 0.00 C ATOM 110 O PHE A 9 -5.817 7.393 5.977 1.00 0.00 O ATOM 111 CB PHE A 9 -7.584 7.915 8.859 1.00 0.00 C ATOM 112 CG PHE A 9 -9.021 8.022 8.367 1.00 0.00 C ATOM 113 CD1 PHE A 9 -9.296 8.496 7.063 1.00 0.00 C ATOM 114 CD2 PHE A 9 -10.090 7.654 9.216 1.00 0.00 C ATOM 115 CE1 PHE A 9 -10.630 8.599 6.611 1.00 0.00 C ATOM 116 CE2 PHE A 9 -11.423 7.757 8.764 1.00 0.00 C ATOM 117 CZ PHE A 9 -11.693 8.228 7.462 1.00 0.00 C ATOM 0 H PHE A 9 -6.216 6.296 10.061 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.382 6.249 7.506 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.595 7.669 9.921 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.107 8.891 8.763 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.483 8.780 6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.886 7.293 10.213 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.837 8.961 5.615 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -12.237 7.475 9.415 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.713 8.305 7.116 1.00 0.00 H new ATOM 127 N GLN A 10 -4.758 8.290 7.803 1.00 0.00 N ATOM 128 CA GLN A 10 -3.733 8.990 7.046 1.00 0.00 C ATOM 129 C GLN A 10 -3.021 7.999 6.123 1.00 0.00 C ATOM 130 O GLN A 10 -3.034 8.216 4.903 1.00 0.00 O ATOM 131 CB GLN A 10 -2.736 9.694 7.968 1.00 0.00 C ATOM 132 CG GLN A 10 -3.202 11.114 8.297 1.00 0.00 C ATOM 133 CD GLN A 10 -3.328 11.313 9.809 1.00 0.00 C ATOM 134 OE1 GLN A 10 -2.458 10.950 10.584 1.00 0.00 O ATOM 135 NE2 GLN A 10 -4.456 11.908 10.184 1.00 0.00 N ATOM 0 H GLN A 10 -4.687 8.409 8.814 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.210 9.764 6.444 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.621 9.123 8.889 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.757 9.730 7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.495 11.836 7.889 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.163 11.305 7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.143 12.187 9.483 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.635 12.086 11.172 1.00 0.00 H new ATOM 144 N VAL A 11 -2.424 6.948 6.714 1.00 0.00 N ATOM 145 CA VAL A 11 -1.715 5.936 5.950 1.00 0.00 C ATOM 146 C VAL A 11 -2.579 5.498 4.765 1.00 0.00 C ATOM 147 O VAL A 11 -2.167 5.724 3.619 1.00 0.00 O ATOM 148 CB VAL A 11 -1.319 4.774 6.862 1.00 0.00 C ATOM 149 CG1 VAL A 11 -0.934 3.540 6.043 1.00 0.00 C ATOM 150 CG2 VAL A 11 -0.186 5.179 7.807 1.00 0.00 C ATOM 0 H VAL A 11 -2.425 6.788 7.721 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.789 6.344 5.544 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.186 4.516 7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.657 2.729 6.716 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.781 3.230 5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.089 3.781 5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.076 4.334 8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.685 5.477 7.224 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.511 6.014 8.427 1.00 0.00 H new ATOM 160 N ASP A 12 -3.742 4.890 5.060 1.00 0.00 N ATOM 161 CA ASP A 12 -4.653 4.428 4.027 1.00 0.00 C ATOM 162 C ASP A 12 -4.657 5.429 2.871 1.00 0.00 C ATOM 163 O ASP A 12 -4.377 5.018 1.735 1.00 0.00 O ATOM 164 CB ASP A 12 -6.083 4.318 4.562 1.00 0.00 C ATOM 165 CG ASP A 12 -7.072 3.622 3.625 1.00 0.00 C ATOM 166 OD1 ASP A 12 -6.744 3.306 2.471 1.00 0.00 O ATOM 167 OD2 ASP A 12 -8.239 3.403 4.130 1.00 0.00 O ATOM 0 H ASP A 12 -4.063 4.712 6.012 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.315 3.446 3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.060 3.778 5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.453 5.321 4.776 1.00 0.00 H new ATOM 172 N CYS A 13 -4.969 6.701 3.176 1.00 0.00 N ATOM 173 CA CYS A 13 -5.008 7.747 2.169 1.00 0.00 C ATOM 174 C CYS A 13 -3.743 7.671 1.311 1.00 0.00 C ATOM 175 O CYS A 13 -3.869 7.512 0.088 1.00 0.00 O ATOM 176 CB CYS A 13 -5.179 9.125 2.812 1.00 0.00 C ATOM 177 SG CYS A 13 -6.868 9.794 2.741 1.00 0.00 S ATOM 0 H CYS A 13 -5.197 7.018 4.118 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.873 7.594 1.524 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.871 9.064 3.856 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.504 9.826 2.321 1.00 0.00 H new ATOM 0 HG CYS A 13 -7.307 9.994 3.948 1.00 0.00 H new ATOM 183 N PHE A 14 -2.569 7.783 1.958 1.00 0.00 N ATOM 184 CA PHE A 14 -1.297 7.727 1.259 1.00 0.00 C ATOM 185 C PHE A 14 -1.269 6.492 0.357 1.00 0.00 C ATOM 186 O PHE A 14 -0.879 6.624 -0.812 1.00 0.00 O ATOM 187 CB PHE A 14 -0.153 7.676 2.290 1.00 0.00 C ATOM 188 CG PHE A 14 1.246 7.687 1.688 1.00 0.00 C ATOM 189 CD1 PHE A 14 1.864 8.914 1.355 1.00 0.00 C ATOM 190 CD2 PHE A 14 1.937 6.473 1.465 1.00 0.00 C ATOM 191 CE1 PHE A 14 3.162 8.927 0.801 1.00 0.00 C ATOM 192 CE2 PHE A 14 3.235 6.487 0.911 1.00 0.00 C ATOM 193 CZ PHE A 14 3.848 7.713 0.578 1.00 0.00 C ATOM 0 H PHE A 14 -2.487 7.913 2.966 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.170 8.614 0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.251 8.527 2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.267 6.776 2.895 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.342 9.844 1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.470 5.533 1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.631 9.866 0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.759 5.558 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.841 7.723 0.153 1.00 0.00 H new ATOM 203 N LEU A 15 -1.679 5.335 0.907 1.00 0.00 N ATOM 204 CA LEU A 15 -1.701 4.090 0.157 1.00 0.00 C ATOM 205 C LEU A 15 -2.498 4.293 -1.134 1.00 0.00 C ATOM 206 O LEU A 15 -2.071 3.776 -2.177 1.00 0.00 O ATOM 207 CB LEU A 15 -2.224 2.948 1.030 1.00 0.00 C ATOM 208 CG LEU A 15 -1.571 2.801 2.405 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.848 1.419 2.999 1.00 0.00 C ATOM 210 CD2 LEU A 15 -0.073 3.106 2.336 1.00 0.00 C ATOM 0 H LEU A 15 -1.998 5.248 1.872 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.691 3.801 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.296 3.087 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.094 2.012 0.486 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.018 3.535 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.372 1.341 3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.923 1.278 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.446 0.651 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.367 2.994 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.408 2.414 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.075 4.128 1.987 1.00 0.00 H new ATOM 222 N TRP A 16 -3.621 5.026 -1.039 1.00 0.00 N ATOM 223 CA TRP A 16 -4.467 5.292 -2.191 1.00 0.00 C ATOM 224 C TRP A 16 -3.687 6.128 -3.209 1.00 0.00 C ATOM 225 O TRP A 16 -3.811 5.857 -4.413 1.00 0.00 O ATOM 226 CB TRP A 16 -5.772 5.954 -1.749 1.00 0.00 C ATOM 227 CG TRP A 16 -6.824 6.059 -2.857 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.778 5.173 -3.174 1.00 0.00 C ATOM 229 CD2 TRP A 16 -6.989 7.151 -3.785 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.543 5.612 -4.235 1.00 0.00 N ATOM 231 CE2 TRP A 16 -8.048 6.853 -4.619 1.00 0.00 C ATOM 232 CE3 TRP A 16 -6.266 8.350 -3.917 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -8.480 7.706 -5.642 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.712 9.190 -4.945 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.776 8.906 -5.792 1.00 0.00 C ATOM 0 H TRP A 16 -3.955 5.441 -0.169 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.746 4.358 -2.680 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -6.191 5.388 -0.917 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.552 6.954 -1.375 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.929 4.233 -2.663 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.327 5.117 -4.659 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.434 8.603 -3.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.312 7.451 -6.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.192 10.125 -5.090 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -8.058 9.608 -6.563 1.00 0.00 H new ATOM 246 N HIS A 17 -2.911 7.110 -2.715 1.00 0.00 N ATOM 247 CA HIS A 17 -2.121 7.974 -3.574 1.00 0.00 C ATOM 248 C HIS A 17 -1.110 7.128 -4.350 1.00 0.00 C ATOM 249 O HIS A 17 -1.101 7.206 -5.587 1.00 0.00 O ATOM 250 CB HIS A 17 -1.463 9.095 -2.767 1.00 0.00 C ATOM 251 CG HIS A 17 -2.397 10.225 -2.411 1.00 0.00 C ATOM 252 ND1 HIS A 17 -3.478 10.260 -1.580 1.00 0.00 N flip ATOM 253 CD2 HIS A 17 -2.266 11.500 -2.934 1.00 0.00 C flip ATOM 254 CE1 HIS A 17 -3.978 11.489 -1.594 1.00 0.00 C flip ATOM 255 NE2 HIS A 17 -3.229 12.260 -2.432 1.00 0.00 N flip ATOM 0 H HIS A 17 -2.823 7.316 -1.720 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.769 8.466 -4.299 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.052 8.675 -1.849 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.625 9.496 -3.338 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -3.841 9.475 -1.039 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.508 11.821 -3.633 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.838 11.824 -1.033 1.00 0.00 H new ATOM 263 N VAL A 18 -0.291 6.349 -3.620 1.00 0.00 N ATOM 264 CA VAL A 18 0.713 5.498 -4.235 1.00 0.00 C ATOM 265 C VAL A 18 0.029 4.520 -5.193 1.00 0.00 C ATOM 266 O VAL A 18 0.632 4.183 -6.222 1.00 0.00 O ATOM 267 CB VAL A 18 1.539 4.799 -3.155 1.00 0.00 C ATOM 268 CG1 VAL A 18 2.423 5.799 -2.407 1.00 0.00 C ATOM 269 CG2 VAL A 18 0.638 4.031 -2.186 1.00 0.00 C ATOM 0 H VAL A 18 -0.315 6.300 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 18 1.411 6.094 -4.823 1.00 0.00 H new ATOM 0 HB VAL A 18 2.192 4.078 -3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.000 5.275 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.103 6.280 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.797 6.555 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.251 3.543 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.052 4.724 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.072 3.278 -2.735 1.00 0.00 H new ATOM 279 N ARG A 19 -1.195 4.089 -4.840 1.00 0.00 N ATOM 280 CA ARG A 19 -1.950 3.159 -5.662 1.00 0.00 C ATOM 281 C ARG A 19 -2.239 3.803 -7.020 1.00 0.00 C ATOM 282 O ARG A 19 -1.751 3.283 -8.035 1.00 0.00 O ATOM 283 CB ARG A 19 -3.274 2.767 -5.000 1.00 0.00 C ATOM 284 CG ARG A 19 -3.094 1.546 -4.097 1.00 0.00 C ATOM 285 CD ARG A 19 -4.419 1.146 -3.445 1.00 0.00 C ATOM 286 NE ARG A 19 -4.236 -0.082 -2.639 1.00 0.00 N ATOM 287 CZ ARG A 19 -5.253 -0.841 -2.177 1.00 0.00 C ATOM 288 NH1 ARG A 19 -6.512 -0.479 -2.452 1.00 0.00 N ATOM 289 NH2 ARG A 19 -5.004 -1.941 -1.451 1.00 0.00 N ATOM 0 H ARG A 19 -1.673 4.377 -3.987 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.352 2.257 -5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.654 3.604 -4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.018 2.551 -5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.705 0.712 -4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.356 1.766 -3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.781 1.956 -2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.175 0.978 -4.212 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.283 -0.373 -2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.693 0.360 -3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.291 -1.042 -2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.042 -2.209 -1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.777 -2.510 -1.105 1.00 0.00 H new ATOM 303 N LYS A 20 -3.013 4.902 -7.013 1.00 0.00 N ATOM 304 CA LYS A 20 -3.362 5.607 -8.235 1.00 0.00 C ATOM 305 C LYS A 20 -2.085 5.930 -9.013 1.00 0.00 C ATOM 306 O LYS A 20 -2.143 5.969 -10.252 1.00 0.00 O ATOM 307 CB LYS A 20 -4.217 6.835 -7.920 1.00 0.00 C ATOM 308 CG LYS A 20 -3.389 8.119 -8.014 1.00 0.00 C ATOM 309 CD LYS A 20 -3.312 8.617 -9.459 1.00 0.00 C ATOM 310 CE LYS A 20 -1.931 9.200 -9.763 1.00 0.00 C ATOM 311 NZ LYS A 20 -1.914 10.648 -9.498 1.00 0.00 N ATOM 0 H LYS A 20 -3.405 5.314 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.977 4.976 -8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.055 6.887 -8.615 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.638 6.742 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.833 8.889 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.384 7.936 -7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.522 7.795 -10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.076 9.375 -9.628 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.177 8.703 -9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.671 9.012 -10.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.969 11.029 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.620 11.119 -10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.141 10.821 -8.498 1.00 0.00 H new ATOM 325 N GLN A 21 -0.976 6.150 -8.286 1.00 0.00 N ATOM 326 CA GLN A 21 0.301 6.467 -8.905 1.00 0.00 C ATOM 327 C GLN A 21 0.802 5.247 -9.680 1.00 0.00 C ATOM 328 O GLN A 21 1.363 5.431 -10.771 1.00 0.00 O ATOM 329 CB GLN A 21 1.331 6.919 -7.869 1.00 0.00 C ATOM 330 CG GLN A 21 2.338 7.893 -8.485 1.00 0.00 C ATOM 331 CD GLN A 21 1.664 9.213 -8.862 1.00 0.00 C ATOM 332 OE1 GLN A 21 1.247 9.265 -10.125 1.00 0.00 O flip ATOM 333 NE2 GLN A 21 1.529 10.123 -8.062 1.00 0.00 N flip ATOM 0 H GLN A 21 -0.949 6.112 -7.267 1.00 0.00 H new ATOM 0 HA GLN A 21 0.159 7.299 -9.595 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.824 7.397 -7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.856 6.051 -7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.146 8.082 -7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.788 7.444 -9.371 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.872 10.018 -7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.073 10.990 -8.347 1.00 0.00 H new ATOM 342 N VAL A 22 0.594 4.046 -9.113 1.00 0.00 N ATOM 343 CA VAL A 22 1.022 2.810 -9.748 1.00 0.00 C ATOM 344 C VAL A 22 0.200 2.581 -11.017 1.00 0.00 C ATOM 345 O VAL A 22 0.794 2.260 -12.056 1.00 0.00 O ATOM 346 CB VAL A 22 0.925 1.650 -8.754 1.00 0.00 C ATOM 347 CG1 VAL A 22 -0.265 0.746 -9.082 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.227 0.850 -8.716 1.00 0.00 C ATOM 0 H VAL A 22 0.130 3.916 -8.214 1.00 0.00 H new ATOM 0 HA VAL A 22 2.068 2.877 -10.047 1.00 0.00 H new ATOM 0 HB VAL A 22 0.763 2.071 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.311 -0.070 -8.361 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.187 1.326 -9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.146 0.337 -10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.131 0.032 -8.002 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.434 0.445 -9.706 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.046 1.502 -8.412 1.00 0.00 H new ATOM 358 N VAL A 23 -1.131 2.749 -10.910 1.00 0.00 N ATOM 359 CA VAL A 23 -2.024 2.562 -12.041 1.00 0.00 C ATOM 360 C VAL A 23 -1.713 3.611 -13.109 1.00 0.00 C ATOM 361 O VAL A 23 -1.720 3.262 -14.299 1.00 0.00 O ATOM 362 CB VAL A 23 -3.480 2.602 -11.570 1.00 0.00 C ATOM 363 CG1 VAL A 23 -4.442 2.416 -12.745 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.733 1.555 -10.482 1.00 0.00 C ATOM 0 H VAL A 23 -1.601 3.015 -10.045 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.869 1.582 -12.493 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.666 3.585 -11.138 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.469 2.448 -12.383 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.288 3.214 -13.471 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.255 1.453 -13.219 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.775 1.604 -10.165 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.521 0.561 -10.877 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.084 1.753 -9.629 1.00 0.00 H new ATOM 374 N ASP A 24 -1.450 4.856 -12.673 1.00 0.00 N ATOM 375 CA ASP A 24 -1.140 5.942 -13.586 1.00 0.00 C ATOM 376 C ASP A 24 0.075 5.560 -14.434 1.00 0.00 C ATOM 377 O ASP A 24 0.201 6.078 -15.553 1.00 0.00 O ATOM 378 CB ASP A 24 -0.798 7.224 -12.822 1.00 0.00 C ATOM 379 CG ASP A 24 -0.426 8.420 -13.699 1.00 0.00 C ATOM 380 OD1 ASP A 24 -1.296 9.198 -14.122 1.00 0.00 O ATOM 381 OD2 ASP A 24 0.833 8.540 -13.952 1.00 0.00 O ATOM 0 H ASP A 24 -1.449 5.123 -11.689 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.016 6.116 -14.211 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.652 7.499 -12.203 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.032 7.016 -12.147 1.00 0.00 H new ATOM 386 N GLN A 25 0.931 4.674 -13.894 1.00 0.00 N ATOM 387 CA GLN A 25 2.122 4.227 -14.596 1.00 0.00 C ATOM 388 C GLN A 25 1.850 2.867 -15.239 1.00 0.00 C ATOM 389 O GLN A 25 2.818 2.160 -15.557 1.00 0.00 O ATOM 390 CB GLN A 25 3.333 4.161 -13.663 1.00 0.00 C ATOM 391 CG GLN A 25 4.252 5.366 -13.871 1.00 0.00 C ATOM 392 CD GLN A 25 5.716 4.929 -13.959 1.00 0.00 C ATOM 393 OE1 GLN A 25 6.134 3.944 -13.374 1.00 0.00 O ATOM 394 NE2 GLN A 25 6.469 5.716 -14.722 1.00 0.00 N ATOM 0 H GLN A 25 0.809 4.259 -12.970 1.00 0.00 H new ATOM 0 HA GLN A 25 2.361 4.951 -15.375 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.997 4.130 -12.627 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.887 3.241 -13.846 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.970 5.890 -14.784 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.127 6.070 -13.048 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.055 6.526 -15.184 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.460 5.510 -14.845 1.00 0.00 H new ATOM 403 N GLU A 26 0.559 2.531 -15.416 1.00 0.00 N ATOM 404 CA GLU A 26 0.168 1.266 -16.016 1.00 0.00 C ATOM 405 C GLU A 26 1.240 0.214 -15.724 1.00 0.00 C ATOM 406 O GLU A 26 1.714 -0.425 -16.675 1.00 0.00 O ATOM 407 CB GLU A 26 -0.066 1.407 -17.522 1.00 0.00 C ATOM 408 CG GLU A 26 1.252 1.641 -18.262 1.00 0.00 C ATOM 409 CD GLU A 26 1.055 2.589 -19.447 1.00 0.00 C ATOM 410 OE1 GLU A 26 -0.053 2.435 -20.089 1.00 0.00 O ATOM 411 OE2 GLU A 26 1.927 3.424 -19.725 1.00 0.00 O ATOM 0 H GLU A 26 -0.224 3.127 -15.148 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.777 0.948 -15.576 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.547 0.507 -17.905 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.746 2.237 -17.712 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.989 2.059 -17.576 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.649 0.689 -18.615 1.00 0.00 H new ATOM 418 N LEU A 27 1.595 0.057 -14.436 1.00 0.00 N ATOM 419 CA LEU A 27 2.600 -0.908 -14.026 1.00 0.00 C ATOM 420 C LEU A 27 1.951 -1.962 -13.127 1.00 0.00 C ATOM 421 O LEU A 27 2.684 -2.793 -12.569 1.00 0.00 O ATOM 422 CB LEU A 27 3.793 -0.198 -13.380 1.00 0.00 C ATOM 423 CG LEU A 27 3.619 0.206 -11.915 1.00 0.00 C ATOM 424 CD1 LEU A 27 4.569 -0.583 -11.013 1.00 0.00 C ATOM 425 CD2 LEU A 27 3.785 1.716 -11.740 1.00 0.00 C ATOM 0 H LEU A 27 1.192 0.594 -13.668 1.00 0.00 H new ATOM 0 HA LEU A 27 3.002 -1.432 -14.893 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.663 -0.850 -13.456 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.015 0.698 -13.960 1.00 0.00 H new ATOM 0 HG LEU A 27 2.603 -0.044 -11.610 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.425 -0.277 -9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.361 -1.649 -11.109 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.599 -0.387 -11.310 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.657 1.977 -10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.781 2.013 -12.068 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.036 2.236 -12.337 1.00 0.00 H new ATOM 437 N GLY A 28 0.613 -1.911 -13.006 1.00 0.00 N ATOM 438 CA GLY A 28 -0.123 -2.855 -12.183 1.00 0.00 C ATOM 439 C GLY A 28 -0.220 -4.195 -12.914 1.00 0.00 C ATOM 440 O GLY A 28 0.654 -4.478 -13.746 1.00 0.00 O ATOM 0 H GLY A 28 0.028 -1.219 -13.474 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.378 -2.986 -11.224 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.121 -2.470 -11.972 1.00 0.00 H new ATOM 444 N ASP A 29 -1.264 -4.981 -12.596 1.00 0.00 N ATOM 445 CA ASP A 29 -1.471 -6.277 -13.218 1.00 0.00 C ATOM 446 C ASP A 29 -2.963 -6.476 -13.491 1.00 0.00 C ATOM 447 O ASP A 29 -3.305 -6.966 -14.578 1.00 0.00 O ATOM 448 CB ASP A 29 -1.004 -7.409 -12.301 1.00 0.00 C ATOM 449 CG ASP A 29 -1.532 -8.797 -12.668 1.00 0.00 C ATOM 450 OD1 ASP A 29 -1.243 -9.325 -13.753 1.00 0.00 O ATOM 451 OD2 ASP A 29 -2.280 -9.350 -11.774 1.00 0.00 O ATOM 0 H ASP A 29 -1.973 -4.729 -11.908 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.896 -6.301 -14.144 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.086 -7.437 -12.309 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.309 -7.179 -11.280 1.00 0.00 H new ATOM 456 N ALA A 30 -3.809 -6.096 -12.516 1.00 0.00 N ATOM 457 CA ALA A 30 -5.250 -6.231 -12.651 1.00 0.00 C ATOM 458 C ALA A 30 -5.908 -6.016 -11.287 1.00 0.00 C ATOM 459 O ALA A 30 -6.954 -5.352 -11.235 1.00 0.00 O ATOM 460 CB ALA A 30 -5.595 -7.661 -13.073 1.00 0.00 C ATOM 0 H ALA A 30 -3.507 -5.693 -11.629 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.598 -5.505 -13.386 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.676 -7.760 -13.174 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.120 -7.883 -14.028 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.235 -8.360 -12.318 1.00 0.00 H new ATOM 466 N PRO A 31 -5.293 -6.569 -10.227 1.00 0.00 N ATOM 467 CA PRO A 31 -5.786 -6.459 -8.865 1.00 0.00 C ATOM 468 C PRO A 31 -5.519 -5.064 -8.297 1.00 0.00 C ATOM 469 O PRO A 31 -6.220 -4.666 -7.356 1.00 0.00 O ATOM 470 CB PRO A 31 -5.072 -7.559 -8.097 1.00 0.00 C ATOM 471 CG PRO A 31 -3.867 -7.943 -8.942 1.00 0.00 C ATOM 472 CD PRO A 31 -4.059 -7.345 -10.326 1.00 0.00 C ATOM 0 HA PRO A 31 -6.867 -6.583 -8.798 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.763 -7.210 -7.112 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.728 -8.415 -7.940 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.949 -7.570 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.774 -9.027 -9.004 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.215 -6.714 -10.605 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.140 -8.123 -11.086 1.00 0.00 H new ATOM 480 N PHE A 32 -4.526 -4.360 -8.871 1.00 0.00 N ATOM 481 CA PHE A 32 -4.174 -3.022 -8.425 1.00 0.00 C ATOM 482 C PHE A 32 -5.296 -2.052 -8.798 1.00 0.00 C ATOM 483 O PHE A 32 -5.625 -1.186 -7.975 1.00 0.00 O ATOM 484 CB PHE A 32 -2.846 -2.602 -9.082 1.00 0.00 C ATOM 485 CG PHE A 32 -1.597 -3.117 -8.378 1.00 0.00 C ATOM 486 CD1 PHE A 32 -1.707 -4.043 -7.315 1.00 0.00 C ATOM 487 CD2 PHE A 32 -0.319 -2.664 -8.779 1.00 0.00 C ATOM 488 CE1 PHE A 32 -0.548 -4.515 -6.662 1.00 0.00 C ATOM 489 CE2 PHE A 32 0.839 -3.135 -8.125 1.00 0.00 C ATOM 490 CZ PHE A 32 0.725 -4.061 -7.067 1.00 0.00 C ATOM 0 H PHE A 32 -3.959 -4.706 -9.645 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.048 -3.007 -7.342 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.838 -2.957 -10.113 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.803 -1.513 -9.119 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.681 -4.390 -7.002 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.229 -1.955 -9.589 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.636 -5.224 -5.852 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.813 -2.786 -8.435 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.612 -4.422 -6.567 1.00 0.00 H new ATOM 500 N LEU A 33 -5.851 -2.212 -10.013 1.00 0.00 N ATOM 501 CA LEU A 33 -6.924 -1.356 -10.489 1.00 0.00 C ATOM 502 C LEU A 33 -8.231 -1.753 -9.798 1.00 0.00 C ATOM 503 O LEU A 33 -8.947 -0.855 -9.332 1.00 0.00 O ATOM 504 CB LEU A 33 -7.001 -1.391 -12.016 1.00 0.00 C ATOM 505 CG LEU A 33 -7.967 -0.395 -12.662 1.00 0.00 C ATOM 506 CD1 LEU A 33 -8.023 0.909 -11.865 1.00 0.00 C ATOM 507 CD2 LEU A 33 -7.606 -0.155 -14.129 1.00 0.00 C ATOM 0 H LEU A 33 -5.565 -2.932 -10.676 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.726 -0.316 -10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.003 -1.209 -12.415 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.289 -2.397 -12.323 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.967 -0.827 -12.643 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.716 1.599 -12.345 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.362 0.701 -10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.030 1.357 -11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.308 0.556 -14.565 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.595 0.247 -14.194 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.658 -1.097 -14.675 1.00 0.00 H new ATOM 519 N ASP A 34 -8.509 -3.068 -9.745 1.00 0.00 N ATOM 520 CA ASP A 34 -9.718 -3.574 -9.117 1.00 0.00 C ATOM 521 C ASP A 34 -9.736 -3.156 -7.646 1.00 0.00 C ATOM 522 O ASP A 34 -10.737 -2.563 -7.215 1.00 0.00 O ATOM 523 CB ASP A 34 -9.768 -5.102 -9.174 1.00 0.00 C ATOM 524 CG ASP A 34 -10.270 -5.684 -10.497 1.00 0.00 C ATOM 525 OD1 ASP A 34 -10.288 -4.856 -11.485 1.00 0.00 O ATOM 526 OD2 ASP A 34 -10.625 -6.869 -10.579 1.00 0.00 O ATOM 0 H ASP A 34 -7.904 -3.792 -10.134 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.574 -3.164 -9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.768 -5.491 -8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.411 -5.460 -8.370 1.00 0.00 H new ATOM 531 N ARG A 35 -8.649 -3.465 -6.917 1.00 0.00 N ATOM 532 CA ARG A 35 -8.543 -3.123 -5.510 1.00 0.00 C ATOM 533 C ARG A 35 -8.668 -1.607 -5.347 1.00 0.00 C ATOM 534 O ARG A 35 -9.452 -1.169 -4.492 1.00 0.00 O ATOM 535 CB ARG A 35 -7.209 -3.584 -4.916 1.00 0.00 C ATOM 536 CG ARG A 35 -7.179 -5.105 -4.753 1.00 0.00 C ATOM 537 CD ARG A 35 -5.740 -5.620 -4.687 1.00 0.00 C ATOM 538 NE ARG A 35 -4.838 -4.545 -4.215 1.00 0.00 N ATOM 539 CZ ARG A 35 -4.047 -4.644 -3.127 1.00 0.00 C ATOM 540 NH1 ARG A 35 -4.063 -5.778 -2.413 1.00 0.00 N ATOM 541 NH2 ARG A 35 -3.257 -3.623 -2.764 1.00 0.00 N ATOM 0 H ARG A 35 -7.835 -3.953 -7.292 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.346 -3.632 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.390 -3.268 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.054 -3.108 -3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.712 -5.388 -3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.699 -5.574 -5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.682 -6.476 -4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.423 -5.966 -5.671 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.813 -3.675 -4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.667 -6.550 -2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.471 -5.869 -1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.251 -2.763 -3.312 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.662 -3.707 -1.940 1.00 0.00 H new ATOM 555 N LEU A 36 -7.906 -0.849 -6.155 1.00 0.00 N ATOM 556 CA LEU A 36 -7.932 0.602 -6.101 1.00 0.00 C ATOM 557 C LEU A 36 -9.374 1.089 -6.267 1.00 0.00 C ATOM 558 O LEU A 36 -9.784 1.985 -5.515 1.00 0.00 O ATOM 559 CB LEU A 36 -6.962 1.195 -7.125 1.00 0.00 C ATOM 560 CG LEU A 36 -7.122 2.689 -7.414 1.00 0.00 C ATOM 561 CD1 LEU A 36 -5.917 3.479 -6.895 1.00 0.00 C ATOM 562 CD2 LEU A 36 -7.371 2.937 -8.902 1.00 0.00 C ATOM 0 H LEU A 36 -7.266 -1.230 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.586 0.952 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.944 1.020 -6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.076 0.650 -8.062 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.000 3.049 -6.877 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.055 4.538 -7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.827 3.339 -5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.010 3.123 -7.385 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.481 4.007 -9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.528 2.558 -9.480 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.282 2.423 -9.209 1.00 0.00 H new ATOM 574 N ARG A 37 -10.101 0.499 -7.232 1.00 0.00 N ATOM 575 CA ARG A 37 -11.482 0.870 -7.492 1.00 0.00 C ATOM 576 C ARG A 37 -12.299 0.704 -6.208 1.00 0.00 C ATOM 577 O ARG A 37 -12.933 1.682 -5.783 1.00 0.00 O ATOM 578 CB ARG A 37 -12.100 0.007 -8.595 1.00 0.00 C ATOM 579 CG ARG A 37 -12.252 0.804 -9.892 1.00 0.00 C ATOM 580 CD ARG A 37 -12.096 -0.103 -11.114 1.00 0.00 C ATOM 581 NE ARG A 37 -13.321 -0.912 -11.303 1.00 0.00 N ATOM 582 CZ ARG A 37 -13.330 -2.169 -11.797 1.00 0.00 C ATOM 583 NH1 ARG A 37 -12.168 -2.738 -12.143 1.00 0.00 N ATOM 584 NH2 ARG A 37 -14.484 -2.835 -11.938 1.00 0.00 N ATOM 0 H ARG A 37 -9.744 -0.238 -7.840 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.496 1.908 -7.824 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.473 -0.867 -8.772 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.075 -0.359 -8.272 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.230 1.286 -9.915 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.505 1.597 -9.925 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.907 0.499 -12.003 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.234 -0.758 -10.984 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.215 -0.494 -11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.295 -2.223 -12.032 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.156 -3.687 -12.518 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.364 -2.393 -11.672 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.483 -3.784 -12.312 1.00 0.00 H new ATOM 598 N ARG A 38 -12.269 -0.508 -5.626 1.00 0.00 N ATOM 599 CA ARG A 38 -13.001 -0.793 -4.404 1.00 0.00 C ATOM 600 C ARG A 38 -12.478 0.103 -3.279 1.00 0.00 C ATOM 601 O ARG A 38 -13.248 0.395 -2.352 1.00 0.00 O ATOM 602 CB ARG A 38 -12.855 -2.259 -3.989 1.00 0.00 C ATOM 603 CG ARG A 38 -13.161 -3.194 -5.160 1.00 0.00 C ATOM 604 CD ARG A 38 -13.915 -4.438 -4.686 1.00 0.00 C ATOM 605 NE ARG A 38 -15.319 -4.387 -5.149 1.00 0.00 N ATOM 606 CZ ARG A 38 -16.098 -5.476 -5.322 1.00 0.00 C ATOM 607 NH1 ARG A 38 -15.589 -6.688 -5.064 1.00 0.00 N ATOM 608 NH2 ARG A 38 -17.363 -5.346 -5.746 1.00 0.00 N ATOM 0 H ARG A 38 -11.741 -1.300 -5.992 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.057 -0.595 -4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.842 -2.440 -3.630 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.530 -2.475 -3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.756 -2.666 -5.906 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.231 -3.491 -5.645 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.430 -5.335 -5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.884 -4.499 -3.598 1.00 0.00 H new ATOM 0 HE ARG A 38 -15.724 -3.473 -5.350 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.626 -6.778 -4.742 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.165 -7.520 -5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -17.743 -4.420 -5.940 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.945 -6.173 -5.874 1.00 0.00 H new ATOM 622 N ASP A 39 -11.203 0.514 -3.382 1.00 0.00 N ATOM 623 CA ASP A 39 -10.586 1.369 -2.381 1.00 0.00 C ATOM 624 C ASP A 39 -11.177 2.777 -2.483 1.00 0.00 C ATOM 625 O ASP A 39 -11.339 3.425 -1.440 1.00 0.00 O ATOM 626 CB ASP A 39 -9.075 1.474 -2.601 1.00 0.00 C ATOM 627 CG ASP A 39 -8.255 1.729 -1.336 1.00 0.00 C ATOM 628 OD1 ASP A 39 -8.644 1.325 -0.230 1.00 0.00 O ATOM 629 OD2 ASP A 39 -7.156 2.379 -1.519 1.00 0.00 O ATOM 0 H ASP A 39 -10.587 0.261 -4.154 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.779 0.932 -1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.725 0.551 -3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.881 2.279 -3.310 1.00 0.00 H new ATOM 634 N GLN A 40 -11.483 3.213 -3.719 1.00 0.00 N ATOM 635 CA GLN A 40 -12.051 4.529 -3.952 1.00 0.00 C ATOM 636 C GLN A 40 -13.441 4.600 -3.317 1.00 0.00 C ATOM 637 O GLN A 40 -13.749 5.619 -2.682 1.00 0.00 O ATOM 638 CB GLN A 40 -12.112 4.859 -5.445 1.00 0.00 C ATOM 639 CG GLN A 40 -12.815 6.197 -5.683 1.00 0.00 C ATOM 640 CD GLN A 40 -11.816 7.354 -5.653 1.00 0.00 C ATOM 641 OE1 GLN A 40 -11.214 7.520 -4.479 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -11.604 8.051 -6.633 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.341 2.662 -4.566 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.405 5.275 -3.489 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.102 4.897 -5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.641 4.067 -5.975 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.325 6.177 -6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.579 6.351 -4.921 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.101 7.869 -7.505 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.930 8.815 -6.580 1.00 0.00 H new ATOM 651 N LYS A 41 -14.242 3.535 -3.499 1.00 0.00 N ATOM 652 CA LYS A 41 -15.585 3.477 -2.948 1.00 0.00 C ATOM 653 C LYS A 41 -15.504 3.440 -1.420 1.00 0.00 C ATOM 654 O LYS A 41 -16.164 4.268 -0.775 1.00 0.00 O ATOM 655 CB LYS A 41 -16.362 2.305 -3.551 1.00 0.00 C ATOM 656 CG LYS A 41 -17.798 2.714 -3.885 1.00 0.00 C ATOM 657 CD LYS A 41 -18.806 1.822 -3.156 1.00 0.00 C ATOM 658 CE LYS A 41 -18.844 2.147 -1.661 1.00 0.00 C ATOM 659 NZ LYS A 41 -20.233 2.170 -1.174 1.00 0.00 N ATOM 0 H LYS A 41 -13.970 2.706 -4.027 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.145 4.373 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.860 1.957 -4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.371 1.471 -2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.958 3.755 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.958 2.646 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.798 1.960 -3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.539 0.775 -3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.270 1.404 -1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.373 3.113 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.241 2.392 -0.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -20.770 2.895 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.670 1.239 -1.328 1.00 0.00 H new ATOM 673 N SER A 42 -14.711 2.497 -0.882 1.00 0.00 N ATOM 674 CA SER A 42 -14.547 2.356 0.555 1.00 0.00 C ATOM 675 C SER A 42 -13.986 3.658 1.130 1.00 0.00 C ATOM 676 O SER A 42 -14.709 4.330 1.882 1.00 0.00 O ATOM 677 CB SER A 42 -13.628 1.184 0.902 1.00 0.00 C ATOM 678 OG SER A 42 -13.791 0.759 2.253 1.00 0.00 O ATOM 0 H SER A 42 -14.177 1.825 -1.432 1.00 0.00 H new ATOM 0 HA SER A 42 -15.522 2.149 0.996 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.836 0.350 0.232 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.591 1.475 0.736 1.00 0.00 H new ATOM 0 HG SER A 42 -13.188 0.008 2.435 1.00 0.00 H new ATOM 684 N LEU A 43 -12.732 3.984 0.772 1.00 0.00 N ATOM 685 CA LEU A 43 -12.084 5.194 1.249 1.00 0.00 C ATOM 686 C LEU A 43 -13.071 6.361 1.172 1.00 0.00 C ATOM 687 O LEU A 43 -13.378 6.945 2.221 1.00 0.00 O ATOM 688 CB LEU A 43 -10.780 5.441 0.487 1.00 0.00 C ATOM 689 CG LEU A 43 -9.894 6.567 1.022 1.00 0.00 C ATOM 690 CD1 LEU A 43 -8.861 6.029 2.014 1.00 0.00 C ATOM 691 CD2 LEU A 43 -9.238 7.339 -0.125 1.00 0.00 C ATOM 0 H LEU A 43 -12.154 3.417 0.151 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.799 5.085 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.201 4.518 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.026 5.661 -0.552 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.526 7.270 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.244 6.851 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.373 5.559 2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.228 5.293 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.613 8.134 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.623 6.660 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.010 7.773 -0.760 1.00 0.00 H new ATOM 703 N ARG A 44 -13.542 6.671 -0.050 1.00 0.00 N ATOM 704 CA ARG A 44 -14.484 7.757 -0.258 1.00 0.00 C ATOM 705 C ARG A 44 -15.521 7.751 0.867 1.00 0.00 C ATOM 706 O ARG A 44 -15.715 8.802 1.495 1.00 0.00 O ATOM 707 CB ARG A 44 -15.201 7.629 -1.604 1.00 0.00 C ATOM 708 CG ARG A 44 -16.286 8.699 -1.751 1.00 0.00 C ATOM 709 CD ARG A 44 -15.935 9.685 -2.868 1.00 0.00 C ATOM 710 NE ARG A 44 -16.304 9.113 -4.182 1.00 0.00 N ATOM 711 CZ ARG A 44 -16.889 9.815 -5.176 1.00 0.00 C ATOM 712 NH1 ARG A 44 -17.159 11.113 -4.982 1.00 0.00 N ATOM 713 NH2 ARG A 44 -17.192 9.224 -6.340 1.00 0.00 N ATOM 0 H ARG A 44 -13.278 6.177 -0.902 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.926 8.693 -0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.479 7.724 -2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.648 6.639 -1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.243 8.224 -1.967 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.402 9.236 -0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.461 10.627 -2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.868 9.908 -2.846 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.104 8.127 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.923 11.556 -4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.601 11.658 -5.722 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -16.981 8.236 -6.481 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.634 9.762 -7.085 1.00 0.00 H new ATOM 727 N GLY A 45 -16.154 6.586 1.096 1.00 0.00 N ATOM 728 CA GLY A 45 -17.159 6.448 2.136 1.00 0.00 C ATOM 729 C GLY A 45 -16.587 6.954 3.462 1.00 0.00 C ATOM 730 O GLY A 45 -17.216 7.825 4.081 1.00 0.00 O ATOM 0 H GLY A 45 -15.978 5.732 0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.052 7.014 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.460 5.405 2.231 1.00 0.00 H new ATOM 734 N ARG A 46 -15.427 6.407 3.865 1.00 0.00 N ATOM 735 CA ARG A 46 -14.779 6.801 5.105 1.00 0.00 C ATOM 736 C ARG A 46 -14.594 8.318 5.120 1.00 0.00 C ATOM 737 O ARG A 46 -15.152 8.972 6.012 1.00 0.00 O ATOM 738 CB ARG A 46 -13.416 6.124 5.269 1.00 0.00 C ATOM 739 CG ARG A 46 -13.577 4.639 5.597 1.00 0.00 C ATOM 740 CD ARG A 46 -12.234 4.016 5.988 1.00 0.00 C ATOM 741 NE ARG A 46 -12.240 3.664 7.425 1.00 0.00 N ATOM 742 CZ ARG A 46 -11.139 3.650 8.206 1.00 0.00 C ATOM 743 NH1 ARG A 46 -9.956 3.973 7.665 1.00 0.00 N ATOM 744 NH2 ARG A 46 -11.227 3.319 9.501 1.00 0.00 N ATOM 0 H ARG A 46 -14.926 5.690 3.341 1.00 0.00 H new ATOM 0 HA ARG A 46 -15.415 6.487 5.933 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.837 6.237 4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.855 6.617 6.063 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.290 4.518 6.413 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.988 4.115 4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.048 3.125 5.388 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.425 4.716 5.780 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.132 3.416 7.853 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.898 4.224 6.678 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.114 3.968 8.240 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.131 3.075 9.905 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.390 3.311 10.083 1.00 0.00 H new ATOM 758 N GLY A 47 -13.825 8.840 4.147 1.00 0.00 N ATOM 759 CA GLY A 47 -13.570 10.267 4.049 1.00 0.00 C ATOM 760 C GLY A 47 -14.868 11.033 4.317 1.00 0.00 C ATOM 761 O GLY A 47 -14.822 12.036 5.043 1.00 0.00 O ATOM 0 H GLY A 47 -13.374 8.283 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.805 10.562 4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.187 10.512 3.058 1.00 0.00 H new ATOM 765 N SER A 48 -15.982 10.552 3.734 1.00 0.00 N ATOM 766 CA SER A 48 -17.277 11.185 3.910 1.00 0.00 C ATOM 767 C SER A 48 -17.702 11.072 5.375 1.00 0.00 C ATOM 768 O SER A 48 -18.062 12.101 5.966 1.00 0.00 O ATOM 769 CB SER A 48 -18.335 10.558 2.999 1.00 0.00 C ATOM 770 OG SER A 48 -19.648 10.687 3.539 1.00 0.00 O ATOM 0 H SER A 48 -15.998 9.724 3.138 1.00 0.00 H new ATOM 0 HA SER A 48 -17.189 12.236 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 48 -18.298 11.034 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.106 9.503 2.850 1.00 0.00 H new ATOM 0 HG SER A 48 -20.295 10.276 2.928 1.00 0.00 H new ATOM 776 N THR A 49 -17.654 9.845 5.922 1.00 0.00 N ATOM 777 CA THR A 49 -18.032 9.602 7.304 1.00 0.00 C ATOM 778 C THR A 49 -17.454 10.710 8.187 1.00 0.00 C ATOM 779 O THR A 49 -18.229 11.561 8.647 1.00 0.00 O ATOM 780 CB THR A 49 -17.562 8.201 7.701 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.719 7.386 7.532 1.00 0.00 O ATOM 782 CG2 THR A 49 -17.242 8.092 9.193 1.00 0.00 C ATOM 0 H THR A 49 -17.355 9.011 5.417 1.00 0.00 H new ATOM 0 HA THR A 49 -19.114 9.630 7.435 1.00 0.00 H new ATOM 0 HB THR A 49 -16.678 7.936 7.121 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.503 6.459 7.766 1.00 0.00 H new ATOM 0 HG21 THR A 49 -16.913 7.078 9.422 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.450 8.796 9.448 1.00 0.00 H new ATOM 0 HG23 THR A 49 -18.134 8.324 9.774 1.00 0.00 H new ATOM 790 N LEU A 50 -16.127 10.677 8.403 1.00 0.00 N ATOM 791 CA LEU A 50 -15.456 11.672 9.224 1.00 0.00 C ATOM 792 C LEU A 50 -15.677 13.059 8.619 1.00 0.00 C ATOM 793 O LEU A 50 -15.971 13.993 9.378 1.00 0.00 O ATOM 794 CB LEU A 50 -13.981 11.307 9.406 1.00 0.00 C ATOM 795 CG LEU A 50 -13.424 11.457 10.824 1.00 0.00 C ATOM 796 CD1 LEU A 50 -12.370 10.386 11.113 1.00 0.00 C ATOM 797 CD2 LEU A 50 -12.884 12.869 11.055 1.00 0.00 C ATOM 0 H LEU A 50 -15.507 9.966 8.015 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.883 11.691 10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.841 10.274 9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.388 11.929 8.736 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.241 11.306 11.530 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.990 10.514 12.126 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.819 9.398 11.016 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.549 10.482 10.402 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.495 12.948 12.070 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.085 13.074 10.343 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.687 13.593 10.917 1.00 0.00 H new ATOM 809 N GLY A 51 -15.533 13.165 7.285 1.00 0.00 N ATOM 810 CA GLY A 51 -15.716 14.426 6.589 1.00 0.00 C ATOM 811 C GLY A 51 -14.427 15.246 6.682 1.00 0.00 C ATOM 812 O GLY A 51 -14.498 16.475 6.532 1.00 0.00 O ATOM 0 H GLY A 51 -15.290 12.383 6.677 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.971 14.245 5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.546 14.980 7.028 1.00 0.00 H new ATOM 816 N LEU A 52 -13.294 14.563 6.922 1.00 0.00 N ATOM 817 CA LEU A 52 -12.005 15.223 7.033 1.00 0.00 C ATOM 818 C LEU A 52 -11.568 15.715 5.651 1.00 0.00 C ATOM 819 O LEU A 52 -12.367 16.390 4.985 1.00 0.00 O ATOM 820 CB LEU A 52 -10.987 14.302 7.707 1.00 0.00 C ATOM 821 CG LEU A 52 -11.031 12.832 7.287 1.00 0.00 C ATOM 822 CD1 LEU A 52 -10.605 12.667 5.827 1.00 0.00 C ATOM 823 CD2 LEU A 52 -10.191 11.967 8.230 1.00 0.00 C ATOM 0 H LEU A 52 -13.257 13.551 7.041 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.081 16.100 7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.988 14.687 7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.136 14.356 8.785 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.061 12.485 7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.645 11.613 5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.279 13.234 5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.587 13.036 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.239 10.926 7.909 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.155 12.306 8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.580 12.052 9.245 1.00 0.00 H new ATOM 835 N ASN A 53 -10.329 15.373 5.254 1.00 0.00 N ATOM 836 CA ASN A 53 -9.794 15.777 3.965 1.00 0.00 C ATOM 837 C ASN A 53 -8.787 14.730 3.485 1.00 0.00 C ATOM 838 O ASN A 53 -7.646 14.743 3.972 1.00 0.00 O ATOM 839 CB ASN A 53 -9.069 17.120 4.066 1.00 0.00 C ATOM 840 CG ASN A 53 -9.436 18.031 2.893 1.00 0.00 C ATOM 841 OD1 ASN A 53 -9.781 19.189 3.057 1.00 0.00 O ATOM 842 ND2 ASN A 53 -9.344 17.444 1.703 1.00 0.00 N ATOM 0 H ASN A 53 -9.687 14.816 5.818 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.627 15.869 3.268 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.329 17.608 5.005 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.992 16.955 4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.569 17.968 0.857 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.048 16.470 1.636 1.00 0.00 H new ATOM 849 N ILE A 54 -9.220 13.859 2.557 1.00 0.00 N ATOM 850 CA ILE A 54 -8.362 12.817 2.018 1.00 0.00 C ATOM 851 C ILE A 54 -6.967 13.392 1.765 1.00 0.00 C ATOM 852 O ILE A 54 -5.981 12.715 2.091 1.00 0.00 O ATOM 853 CB ILE A 54 -9.000 12.182 0.781 1.00 0.00 C ATOM 854 CG1 ILE A 54 -9.782 10.922 1.153 1.00 0.00 C ATOM 855 CG2 ILE A 54 -7.951 11.909 -0.299 1.00 0.00 C ATOM 856 CD1 ILE A 54 -10.745 11.196 2.310 1.00 0.00 C ATOM 0 H ILE A 54 -10.164 13.865 2.171 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.248 12.007 2.739 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.714 12.892 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.340 10.567 0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.089 10.129 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.431 11.458 -1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.478 12.846 -0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.195 11.228 0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.289 10.284 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.181 11.527 3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.452 11.973 2.019 1.00 0.00 H new ATOM 868 N GLU A 55 -6.911 14.610 1.196 1.00 0.00 N ATOM 869 CA GLU A 55 -5.649 15.266 0.902 1.00 0.00 C ATOM 870 C GLU A 55 -4.861 15.451 2.201 1.00 0.00 C ATOM 871 O GLU A 55 -3.808 14.814 2.349 1.00 0.00 O ATOM 872 CB GLU A 55 -5.862 16.606 0.196 1.00 0.00 C ATOM 873 CG GLU A 55 -5.052 16.677 -1.100 1.00 0.00 C ATOM 874 CD GLU A 55 -5.138 18.073 -1.723 1.00 0.00 C ATOM 875 OE1 GLU A 55 -5.275 19.039 -0.880 1.00 0.00 O ATOM 876 OE2 GLU A 55 -5.074 18.206 -2.954 1.00 0.00 O ATOM 0 H GLU A 55 -7.735 15.151 0.934 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.078 14.635 0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.921 16.741 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.568 17.421 0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.010 16.429 -0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.424 15.935 -1.807 1.00 0.00 H new ATOM 883 N ALA A 56 -5.378 16.306 3.103 1.00 0.00 N ATOM 884 CA ALA A 56 -4.728 16.570 4.374 1.00 0.00 C ATOM 885 C ALA A 56 -4.245 15.250 4.980 1.00 0.00 C ATOM 886 O ALA A 56 -3.038 15.122 5.231 1.00 0.00 O ATOM 887 CB ALA A 56 -5.743 17.149 5.362 1.00 0.00 C ATOM 0 H ALA A 56 -6.247 16.821 2.962 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.903 17.261 4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.252 17.346 6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.149 18.079 4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.553 16.435 5.512 1.00 0.00 H new ATOM 893 N ALA A 57 -5.182 14.310 5.197 1.00 0.00 N ATOM 894 CA ALA A 57 -4.855 13.014 5.767 1.00 0.00 C ATOM 895 C ALA A 57 -3.622 12.448 5.061 1.00 0.00 C ATOM 896 O ALA A 57 -2.572 12.332 5.710 1.00 0.00 O ATOM 897 CB ALA A 57 -5.994 12.029 5.495 1.00 0.00 C ATOM 0 H ALA A 57 -6.171 14.435 4.982 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.686 13.140 6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.746 11.058 5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.913 12.401 5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.136 11.925 4.419 1.00 0.00 H new ATOM 903 N THR A 58 -3.769 12.113 3.767 1.00 0.00 N ATOM 904 CA THR A 58 -2.676 11.565 2.983 1.00 0.00 C ATOM 905 C THR A 58 -1.407 12.378 3.248 1.00 0.00 C ATOM 906 O THR A 58 -0.310 11.811 3.144 1.00 0.00 O ATOM 907 CB THR A 58 -3.090 11.548 1.510 1.00 0.00 C ATOM 908 OG1 THR A 58 -2.619 10.291 1.032 1.00 0.00 O ATOM 909 CG2 THR A 58 -2.322 12.575 0.674 1.00 0.00 C ATOM 0 H THR A 58 -4.643 12.217 3.251 1.00 0.00 H new ATOM 0 HA THR A 58 -2.454 10.537 3.269 1.00 0.00 H new ATOM 0 HB THR A 58 -4.160 11.742 1.431 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.736 10.246 0.060 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.654 12.521 -0.363 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.510 13.575 1.064 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.255 12.361 0.725 1.00 0.00 H new ATOM 917 N HIS A 59 -1.579 13.671 3.579 1.00 0.00 N ATOM 918 CA HIS A 59 -0.456 14.551 3.855 1.00 0.00 C ATOM 919 C HIS A 59 0.264 14.071 5.117 1.00 0.00 C ATOM 920 O HIS A 59 1.419 13.632 5.007 1.00 0.00 O ATOM 921 CB HIS A 59 -0.912 16.008 3.951 1.00 0.00 C ATOM 922 CG HIS A 59 0.052 16.995 3.337 1.00 0.00 C ATOM 923 ND1 HIS A 59 0.468 18.142 3.991 1.00 0.00 N ATOM 924 CD2 HIS A 59 0.679 16.994 2.126 1.00 0.00 C ATOM 925 CE1 HIS A 59 1.305 18.795 3.198 1.00 0.00 C ATOM 926 NE2 HIS A 59 1.434 18.082 2.044 1.00 0.00 N ATOM 0 H HIS A 59 -2.492 14.119 3.659 1.00 0.00 H new ATOM 0 HA HIS A 59 0.255 14.512 3.029 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.880 16.108 3.460 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.059 16.264 5.000 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.578 16.236 1.363 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.798 19.728 3.426 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.016 18.342 1.248 1.00 0.00 H new ATOM 934 N VAL A 60 -0.419 14.163 6.272 1.00 0.00 N ATOM 935 CA VAL A 60 0.151 13.741 7.541 1.00 0.00 C ATOM 936 C VAL A 60 0.683 12.312 7.406 1.00 0.00 C ATOM 937 O VAL A 60 1.750 12.026 7.966 1.00 0.00 O ATOM 938 CB VAL A 60 -0.885 13.891 8.656 1.00 0.00 C ATOM 939 CG1 VAL A 60 -0.654 12.858 9.761 1.00 0.00 C ATOM 940 CG2 VAL A 60 -0.879 15.312 9.223 1.00 0.00 C ATOM 0 H VAL A 60 -1.369 14.529 6.341 1.00 0.00 H new ATOM 0 HA VAL A 60 0.994 14.377 7.812 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.869 13.707 8.226 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.404 12.986 10.542 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.733 11.854 9.343 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.340 12.997 10.187 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.625 15.391 10.014 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.107 15.537 9.630 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.115 16.021 8.430 1.00 0.00 H new ATOM 950 N GLY A 61 -0.060 11.460 6.677 1.00 0.00 N ATOM 951 CA GLY A 61 0.334 10.077 6.473 1.00 0.00 C ATOM 952 C GLY A 61 1.670 10.036 5.728 1.00 0.00 C ATOM 953 O GLY A 61 2.577 9.326 6.184 1.00 0.00 O ATOM 0 H GLY A 61 -0.937 11.717 6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.424 9.567 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.430 9.550 5.902 1.00 0.00 H new ATOM 957 N LYS A 62 1.762 10.786 4.615 1.00 0.00 N ATOM 958 CA LYS A 62 2.975 10.834 3.818 1.00 0.00 C ATOM 959 C LYS A 62 4.166 11.144 4.726 1.00 0.00 C ATOM 960 O LYS A 62 5.244 10.576 4.499 1.00 0.00 O ATOM 961 CB LYS A 62 2.815 11.818 2.658 1.00 0.00 C ATOM 962 CG LYS A 62 3.955 12.838 2.642 1.00 0.00 C ATOM 963 CD LYS A 62 5.228 12.229 2.052 1.00 0.00 C ATOM 964 CE LYS A 62 6.471 12.966 2.554 1.00 0.00 C ATOM 965 NZ LYS A 62 7.338 13.342 1.424 1.00 0.00 N ATOM 0 H LYS A 62 1.002 11.364 4.256 1.00 0.00 H new ATOM 0 HA LYS A 62 3.167 9.864 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.797 11.273 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.860 12.336 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.660 13.709 2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.150 13.186 3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.291 11.175 2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.188 12.276 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.174 13.858 3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.022 12.331 3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.177 13.841 1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.636 12.485 0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.814 13.965 0.777 1.00 0.00 H new ATOM 979 N GLN A 63 3.952 12.023 5.721 1.00 0.00 N ATOM 980 CA GLN A 63 5.000 12.402 6.654 1.00 0.00 C ATOM 981 C GLN A 63 5.263 11.243 7.617 1.00 0.00 C ATOM 982 O GLN A 63 6.430 11.031 7.981 1.00 0.00 O ATOM 983 CB GLN A 63 4.639 13.678 7.417 1.00 0.00 C ATOM 984 CG GLN A 63 5.129 14.920 6.670 1.00 0.00 C ATOM 985 CD GLN A 63 4.010 15.529 5.823 1.00 0.00 C ATOM 986 OE1 GLN A 63 4.151 15.762 4.634 1.00 0.00 O ATOM 987 NE2 GLN A 63 2.891 15.773 6.501 1.00 0.00 N ATOM 0 H GLN A 63 3.056 12.479 5.891 1.00 0.00 H new ATOM 0 HA GLN A 63 5.909 12.615 6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.559 13.732 7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.083 13.649 8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.492 15.659 7.385 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.971 14.655 6.030 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.839 15.554 7.496 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.085 16.179 6.026 1.00 0.00 H new ATOM 996 N ILE A 64 4.193 10.527 8.006 1.00 0.00 N ATOM 997 CA ILE A 64 4.307 9.402 8.917 1.00 0.00 C ATOM 998 C ILE A 64 5.172 8.316 8.274 1.00 0.00 C ATOM 999 O ILE A 64 6.029 7.754 8.970 1.00 0.00 O ATOM 1000 CB ILE A 64 2.921 8.914 9.343 1.00 0.00 C ATOM 1001 CG1 ILE A 64 2.440 9.653 10.594 1.00 0.00 C ATOM 1002 CG2 ILE A 64 2.910 7.395 9.535 1.00 0.00 C ATOM 1003 CD1 ILE A 64 3.058 9.053 11.858 1.00 0.00 C ATOM 0 H ILE A 64 3.241 10.718 7.695 1.00 0.00 H new ATOM 0 HA ILE A 64 4.808 9.706 9.836 1.00 0.00 H new ATOM 0 HB ILE A 64 2.217 9.143 8.543 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.704 10.708 10.521 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.353 9.600 10.656 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.913 7.074 9.838 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.179 6.908 8.598 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.630 7.121 10.306 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.699 9.597 12.732 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.772 8.004 11.941 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.144 9.129 11.804 1.00 0.00 H new ATOM 1015 N VAL A 65 4.933 8.046 6.977 1.00 0.00 N ATOM 1016 CA VAL A 65 5.683 7.037 6.250 1.00 0.00 C ATOM 1017 C VAL A 65 7.138 7.492 6.110 1.00 0.00 C ATOM 1018 O VAL A 65 8.032 6.744 6.532 1.00 0.00 O ATOM 1019 CB VAL A 65 5.014 6.756 4.903 1.00 0.00 C ATOM 1020 CG1 VAL A 65 5.932 5.935 3.994 1.00 0.00 C ATOM 1021 CG2 VAL A 65 3.667 6.057 5.097 1.00 0.00 C ATOM 0 H VAL A 65 4.222 8.521 6.421 1.00 0.00 H new ATOM 0 HA VAL A 65 5.687 6.095 6.799 1.00 0.00 H new ATOM 0 HB VAL A 65 4.829 7.713 4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.432 5.750 3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.856 6.486 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.163 4.984 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.212 5.868 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.820 5.111 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.009 6.693 5.689 1.00 0.00 H new ATOM 1031 N GLU A 66 7.342 8.689 5.531 1.00 0.00 N ATOM 1032 CA GLU A 66 8.675 9.234 5.341 1.00 0.00 C ATOM 1033 C GLU A 66 9.413 9.248 6.681 1.00 0.00 C ATOM 1034 O GLU A 66 10.648 9.137 6.675 1.00 0.00 O ATOM 1035 CB GLU A 66 8.626 10.635 4.727 1.00 0.00 C ATOM 1036 CG GLU A 66 9.163 11.681 5.706 1.00 0.00 C ATOM 1037 CD GLU A 66 9.106 13.083 5.096 1.00 0.00 C ATOM 1038 OE1 GLU A 66 9.902 13.278 4.100 1.00 0.00 O ATOM 1039 OE2 GLU A 66 8.333 13.932 5.565 1.00 0.00 O ATOM 0 H GLU A 66 6.591 9.289 5.190 1.00 0.00 H new ATOM 0 HA GLU A 66 9.216 8.598 4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.214 10.655 3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.600 10.881 4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.579 11.657 6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.191 11.439 5.975 1.00 0.00 H new ATOM 1046 N LYS A 67 8.655 9.381 7.784 1.00 0.00 N ATOM 1047 CA LYS A 67 9.234 9.409 9.116 1.00 0.00 C ATOM 1048 C LYS A 67 9.626 7.988 9.528 1.00 0.00 C ATOM 1049 O LYS A 67 10.547 7.843 10.344 1.00 0.00 O ATOM 1050 CB LYS A 67 8.282 10.092 10.100 1.00 0.00 C ATOM 1051 CG LYS A 67 8.731 9.867 11.544 1.00 0.00 C ATOM 1052 CD LYS A 67 7.670 10.360 12.532 1.00 0.00 C ATOM 1053 CE LYS A 67 8.301 10.723 13.877 1.00 0.00 C ATOM 1054 NZ LYS A 67 8.694 9.508 14.608 1.00 0.00 N ATOM 0 H LYS A 67 7.639 9.470 7.767 1.00 0.00 H new ATOM 0 HA LYS A 67 10.146 10.007 9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.242 11.161 9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.273 9.703 9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.921 8.806 11.708 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.670 10.391 11.722 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.160 11.230 12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.916 9.587 12.677 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.174 11.356 13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.594 11.300 14.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.121 9.773 15.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.854 8.918 14.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.385 8.972 14.045 1.00 0.00 H new ATOM 1068 N ILE A 68 8.930 6.985 8.964 1.00 0.00 N ATOM 1069 CA ILE A 68 9.204 5.591 9.269 1.00 0.00 C ATOM 1070 C ILE A 68 10.469 5.150 8.530 1.00 0.00 C ATOM 1071 O ILE A 68 11.210 4.318 9.074 1.00 0.00 O ATOM 1072 CB ILE A 68 7.980 4.724 8.964 1.00 0.00 C ATOM 1073 CG1 ILE A 68 6.947 4.822 10.088 1.00 0.00 C ATOM 1074 CG2 ILE A 68 8.389 3.277 8.685 1.00 0.00 C ATOM 1075 CD1 ILE A 68 5.523 4.751 9.530 1.00 0.00 C ATOM 0 H ILE A 68 8.174 7.126 8.294 1.00 0.00 H new ATOM 0 HA ILE A 68 9.397 5.466 10.335 1.00 0.00 H new ATOM 0 HB ILE A 68 7.508 5.104 8.058 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.103 4.013 10.802 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.083 5.757 10.631 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.501 2.683 8.471 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.060 3.248 7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.898 2.868 9.558 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.807 4.823 10.349 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.363 5.575 8.835 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.383 3.804 9.008 1.00 0.00 H new ATOM 1087 N LEU A 69 10.687 5.705 7.324 1.00 0.00 N ATOM 1088 CA LEU A 69 11.850 5.372 6.522 1.00 0.00 C ATOM 1089 C LEU A 69 13.089 6.040 7.123 1.00 0.00 C ATOM 1090 O LEU A 69 14.190 5.491 6.968 1.00 0.00 O ATOM 1091 CB LEU A 69 11.610 5.730 5.054 1.00 0.00 C ATOM 1092 CG LEU A 69 10.173 6.102 4.681 1.00 0.00 C ATOM 1093 CD1 LEU A 69 10.107 6.683 3.267 1.00 0.00 C ATOM 1094 CD2 LEU A 69 9.236 4.906 4.853 1.00 0.00 C ATOM 0 H LEU A 69 10.063 6.387 6.893 1.00 0.00 H new ATOM 0 HA LEU A 69 12.028 4.297 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.260 6.565 4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.917 4.884 4.439 1.00 0.00 H new ATOM 0 HG LEU A 69 9.832 6.879 5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.075 6.939 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.725 7.579 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.474 5.945 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.221 5.197 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.565 4.091 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.253 4.577 5.892 1.00 0.00 H new ATOM 1106 N LYS A 70 12.888 7.193 7.785 1.00 0.00 N ATOM 1107 CA LYS A 70 13.981 7.927 8.403 1.00 0.00 C ATOM 1108 C LYS A 70 14.554 7.104 9.558 1.00 0.00 C ATOM 1109 O LYS A 70 15.732 7.295 9.890 1.00 0.00 O ATOM 1110 CB LYS A 70 13.520 9.326 8.814 1.00 0.00 C ATOM 1111 CG LYS A 70 12.808 9.293 10.168 1.00 0.00 C ATOM 1112 CD LYS A 70 13.548 10.148 11.198 1.00 0.00 C ATOM 1113 CE LYS A 70 14.959 9.611 11.444 1.00 0.00 C ATOM 1114 NZ LYS A 70 14.905 8.339 12.182 1.00 0.00 N ATOM 0 H LYS A 70 11.973 7.629 7.900 1.00 0.00 H new ATOM 0 HA LYS A 70 14.790 8.080 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.379 9.995 8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.849 9.729 8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.787 9.657 10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.743 8.265 10.523 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.603 11.179 10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.991 10.159 12.135 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.470 9.465 10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.539 10.341 12.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.310 8.471 13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.916 8.029 12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.451 7.617 11.670 1.00 0.00 H new ATOM 1128 N GLU A 71 13.724 6.217 10.136 1.00 0.00 N ATOM 1129 CA GLU A 71 14.146 5.374 11.243 1.00 0.00 C ATOM 1130 C GLU A 71 14.917 4.171 10.696 1.00 0.00 C ATOM 1131 O GLU A 71 15.709 3.588 11.450 1.00 0.00 O ATOM 1132 CB GLU A 71 12.956 4.923 12.091 1.00 0.00 C ATOM 1133 CG GLU A 71 11.739 5.820 11.850 1.00 0.00 C ATOM 1134 CD GLU A 71 10.566 5.404 12.741 1.00 0.00 C ATOM 1135 OE1 GLU A 71 10.402 4.209 13.031 1.00 0.00 O ATOM 1136 OE2 GLU A 71 9.809 6.371 13.134 1.00 0.00 O ATOM 0 H GLU A 71 12.757 6.074 9.846 1.00 0.00 H new ATOM 0 HA GLU A 71 14.799 5.954 11.896 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.704 3.890 11.850 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.227 4.948 13.146 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.003 6.858 12.051 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.443 5.763 10.803 1.00 0.00 H new ATOM 1143 N GLU A 72 14.673 3.830 9.418 1.00 0.00 N ATOM 1144 CA GLU A 72 15.341 2.708 8.781 1.00 0.00 C ATOM 1145 C GLU A 72 15.098 2.766 7.271 1.00 0.00 C ATOM 1146 O GLU A 72 14.050 2.278 6.823 1.00 0.00 O ATOM 1147 CB GLU A 72 14.871 1.372 9.360 1.00 0.00 C ATOM 1148 CG GLU A 72 13.399 1.440 9.772 1.00 0.00 C ATOM 1149 CD GLU A 72 12.948 0.128 10.416 1.00 0.00 C ATOM 1150 OE1 GLU A 72 13.683 -0.447 11.233 1.00 0.00 O ATOM 1151 OE2 GLU A 72 11.788 -0.294 10.041 1.00 0.00 O ATOM 0 H GLU A 72 14.015 4.324 8.815 1.00 0.00 H new ATOM 0 HA GLU A 72 16.411 2.781 8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 72 15.009 0.583 8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.482 1.111 10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.251 2.262 10.472 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.783 1.651 8.898 1.00 0.00 H new ATOM 1158 N SER A 73 16.055 3.351 6.529 1.00 0.00 N ATOM 1159 CA SER A 73 15.945 3.470 5.086 1.00 0.00 C ATOM 1160 C SER A 73 15.585 2.107 4.492 1.00 0.00 C ATOM 1161 O SER A 73 14.467 1.909 4.020 1.00 0.00 O ATOM 1162 CB SER A 73 17.243 3.993 4.466 1.00 0.00 C ATOM 1163 OG SER A 73 18.304 3.047 4.574 1.00 0.00 O ATOM 0 H SER A 73 16.911 3.746 6.918 1.00 0.00 H new ATOM 0 HA SER A 73 15.159 4.190 4.857 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.074 4.230 3.416 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.533 4.921 4.959 1.00 0.00 H new ATOM 0 HG SER A 73 19.115 3.417 4.166 1.00 0.00 H new TER 1169 SER A 73 ATOM 1170 N MET B 1 9.079 -12.088 -19.341 1.00 0.00 N ATOM 1171 CA MET B 1 8.351 -12.626 -18.204 1.00 0.00 C ATOM 1172 C MET B 1 7.054 -11.836 -18.015 1.00 0.00 C ATOM 1173 O MET B 1 7.112 -10.733 -17.454 1.00 0.00 O ATOM 1174 CB MET B 1 9.198 -12.528 -16.934 1.00 0.00 C ATOM 1175 CG MET B 1 9.607 -13.917 -16.440 1.00 0.00 C ATOM 1176 SD MET B 1 8.131 -14.932 -16.142 1.00 0.00 S ATOM 1177 CE MET B 1 8.662 -15.833 -14.657 1.00 0.00 C ATOM 0 H1 MET B 1 9.961 -12.622 -19.473 1.00 0.00 H new ATOM 0 H2 MET B 1 8.494 -12.169 -20.197 1.00 0.00 H new ATOM 0 H3 MET B 1 9.303 -11.087 -19.168 1.00 0.00 H new ATOM 0 HA MET B 1 8.122 -13.675 -18.393 1.00 0.00 H new ATOM 0 HB2 MET B 1 10.089 -11.931 -17.132 1.00 0.00 H new ATOM 0 HB3 MET B 1 8.635 -12.012 -16.156 1.00 0.00 H new ATOM 0 HG2 MET B 1 10.247 -14.400 -17.178 1.00 0.00 H new ATOM 0 HG3 MET B 1 10.189 -13.829 -15.522 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.867 -16.507 -14.337 1.00 0.00 H new ATOM 0 HE2 MET B 1 9.558 -16.411 -14.883 1.00 0.00 H new ATOM 0 HE3 MET B 1 8.880 -15.123 -13.859 1.00 0.00 H new ATOM 1187 N ASP B 2 5.928 -12.407 -18.480 1.00 0.00 N ATOM 1188 CA ASP B 2 4.631 -11.761 -18.363 1.00 0.00 C ATOM 1189 C ASP B 2 4.736 -10.322 -18.872 1.00 0.00 C ATOM 1190 O ASP B 2 4.740 -10.128 -20.097 1.00 0.00 O ATOM 1191 CB ASP B 2 4.170 -11.714 -16.905 1.00 0.00 C ATOM 1192 CG ASP B 2 3.981 -13.080 -16.243 1.00 0.00 C ATOM 1193 OD1 ASP B 2 3.747 -14.092 -16.920 1.00 0.00 O ATOM 1194 OD2 ASP B 2 4.084 -13.081 -14.956 1.00 0.00 O ATOM 0 H ASP B 2 5.902 -13.317 -18.940 1.00 0.00 H new ATOM 0 HA ASP B 2 3.914 -12.334 -18.950 1.00 0.00 H new ATOM 0 HB2 ASP B 2 4.898 -11.145 -16.327 1.00 0.00 H new ATOM 0 HB3 ASP B 2 3.227 -11.169 -16.855 1.00 0.00 H new ATOM 1199 N SER B 3 4.816 -9.357 -17.939 1.00 0.00 N ATOM 1200 CA SER B 3 4.919 -7.951 -18.291 1.00 0.00 C ATOM 1201 C SER B 3 4.471 -7.097 -17.103 1.00 0.00 C ATOM 1202 O SER B 3 5.310 -6.803 -16.239 1.00 0.00 O ATOM 1203 CB SER B 3 4.081 -7.620 -19.529 1.00 0.00 C ATOM 1204 OG SER B 3 4.856 -7.661 -20.724 1.00 0.00 O ATOM 0 H SER B 3 4.810 -9.538 -16.935 1.00 0.00 H new ATOM 0 HA SER B 3 5.959 -7.730 -18.531 1.00 0.00 H new ATOM 0 HB2 SER B 3 3.255 -8.327 -19.608 1.00 0.00 H new ATOM 0 HB3 SER B 3 3.642 -6.629 -19.415 1.00 0.00 H new ATOM 0 HG SER B 3 5.190 -8.571 -20.866 1.00 0.00 H new ATOM 1210 N ASN B 4 3.179 -6.723 -17.083 1.00 0.00 N ATOM 1211 CA ASN B 4 2.628 -5.913 -16.012 1.00 0.00 C ATOM 1212 C ASN B 4 2.373 -6.796 -14.789 1.00 0.00 C ATOM 1213 O ASN B 4 2.485 -6.292 -13.662 1.00 0.00 O ATOM 1214 CB ASN B 4 1.298 -5.282 -16.426 1.00 0.00 C ATOM 1215 CG ASN B 4 1.366 -3.755 -16.347 1.00 0.00 C ATOM 1216 OD1 ASN B 4 2.424 -3.162 -16.216 1.00 0.00 O ATOM 1217 ND2 ASN B 4 0.183 -3.155 -16.434 1.00 0.00 N ATOM 0 H ASN B 4 2.505 -6.976 -17.805 1.00 0.00 H new ATOM 0 HA ASN B 4 3.345 -5.124 -15.784 1.00 0.00 H new ATOM 0 HB2 ASN B 4 1.048 -5.586 -17.442 1.00 0.00 H new ATOM 0 HB3 ASN B 4 0.501 -5.648 -15.779 1.00 0.00 H new ATOM 0 HD21 ASN B 4 0.123 -2.138 -16.392 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.665 -3.712 -16.543 1.00 0.00 H new ATOM 1224 N THR B 5 2.040 -8.077 -15.031 1.00 0.00 N ATOM 1225 CA THR B 5 1.772 -9.018 -13.958 1.00 0.00 C ATOM 1226 C THR B 5 2.956 -9.031 -12.988 1.00 0.00 C ATOM 1227 O THR B 5 2.737 -8.819 -11.786 1.00 0.00 O ATOM 1228 CB THR B 5 1.475 -10.388 -14.571 1.00 0.00 C ATOM 1229 OG1 THR B 5 0.453 -10.125 -15.530 1.00 0.00 O ATOM 1230 CG2 THR B 5 0.816 -11.345 -13.577 1.00 0.00 C ATOM 0 H THR B 5 1.953 -8.473 -15.967 1.00 0.00 H new ATOM 0 HA THR B 5 0.897 -8.725 -13.378 1.00 0.00 H new ATOM 0 HB THR B 5 2.402 -10.829 -14.938 1.00 0.00 H new ATOM 0 HG1 THR B 5 -0.311 -9.701 -15.086 1.00 0.00 H new ATOM 0 HG21 THR B 5 0.627 -12.302 -14.064 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.478 -11.496 -12.724 1.00 0.00 H new ATOM 0 HG23 THR B 5 -0.127 -10.920 -13.234 1.00 0.00 H new ATOM 1238 N VAL B 6 4.167 -9.276 -13.520 1.00 0.00 N ATOM 1239 CA VAL B 6 5.371 -9.315 -12.708 1.00 0.00 C ATOM 1240 C VAL B 6 5.504 -8.000 -11.936 1.00 0.00 C ATOM 1241 O VAL B 6 5.739 -8.052 -10.720 1.00 0.00 O ATOM 1242 CB VAL B 6 6.586 -9.617 -13.587 1.00 0.00 C ATOM 1243 CG1 VAL B 6 6.656 -11.106 -13.933 1.00 0.00 C ATOM 1244 CG2 VAL B 6 6.572 -8.760 -14.855 1.00 0.00 C ATOM 0 H VAL B 6 4.326 -9.449 -14.513 1.00 0.00 H new ATOM 0 HA VAL B 6 5.310 -10.118 -11.974 1.00 0.00 H new ATOM 0 HB VAL B 6 7.481 -9.362 -13.020 1.00 0.00 H new ATOM 0 HG11 VAL B 6 7.529 -11.294 -14.559 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.735 -11.689 -13.016 1.00 0.00 H new ATOM 0 HG13 VAL B 6 5.754 -11.397 -14.472 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.446 -8.994 -15.462 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.667 -8.969 -15.426 1.00 0.00 H new ATOM 0 HG23 VAL B 6 6.592 -7.705 -14.581 1.00 0.00 H new ATOM 1254 N SER B 7 5.353 -6.868 -12.646 1.00 0.00 N ATOM 1255 CA SER B 7 5.455 -5.555 -12.031 1.00 0.00 C ATOM 1256 C SER B 7 4.579 -5.514 -10.778 1.00 0.00 C ATOM 1257 O SER B 7 5.102 -5.188 -9.703 1.00 0.00 O ATOM 1258 CB SER B 7 5.043 -4.449 -13.004 1.00 0.00 C ATOM 1259 OG SER B 7 5.327 -3.151 -12.488 1.00 0.00 O ATOM 0 H SER B 7 5.160 -6.848 -13.647 1.00 0.00 H new ATOM 0 HA SER B 7 6.495 -5.380 -11.757 1.00 0.00 H new ATOM 0 HB2 SER B 7 5.566 -4.585 -13.950 1.00 0.00 H new ATOM 0 HB3 SER B 7 3.977 -4.530 -13.215 1.00 0.00 H new ATOM 0 HG SER B 7 5.947 -2.688 -13.089 1.00 0.00 H new ATOM 1265 N SER B 8 3.283 -5.840 -10.938 1.00 0.00 N ATOM 1266 CA SER B 8 2.347 -5.840 -9.826 1.00 0.00 C ATOM 1267 C SER B 8 2.906 -6.704 -8.694 1.00 0.00 C ATOM 1268 O SER B 8 2.738 -6.325 -7.525 1.00 0.00 O ATOM 1269 CB SER B 8 0.970 -6.352 -10.254 1.00 0.00 C ATOM 1270 OG SER B 8 0.037 -6.334 -9.178 1.00 0.00 O ATOM 0 H SER B 8 2.871 -6.105 -11.833 1.00 0.00 H new ATOM 0 HA SER B 8 2.222 -4.814 -9.478 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.593 -5.738 -11.072 1.00 0.00 H new ATOM 0 HB3 SER B 8 1.064 -7.369 -10.636 1.00 0.00 H new ATOM 0 HG SER B 8 0.260 -5.604 -8.563 1.00 0.00 H new ATOM 1276 N PHE B 9 3.548 -7.829 -9.055 1.00 0.00 N ATOM 1277 CA PHE B 9 4.124 -8.735 -8.077 1.00 0.00 C ATOM 1278 C PHE B 9 5.122 -7.970 -7.204 1.00 0.00 C ATOM 1279 O PHE B 9 4.970 -7.994 -5.974 1.00 0.00 O ATOM 1280 CB PHE B 9 4.820 -9.898 -8.809 1.00 0.00 C ATOM 1281 CG PHE B 9 4.479 -11.282 -8.273 1.00 0.00 C ATOM 1282 CD1 PHE B 9 4.898 -11.670 -6.978 1.00 0.00 C ATOM 1283 CD2 PHE B 9 3.745 -12.190 -9.070 1.00 0.00 C ATOM 1284 CE1 PHE B 9 4.584 -12.955 -6.486 1.00 0.00 C ATOM 1285 CE2 PHE B 9 3.430 -13.475 -8.577 1.00 0.00 C ATOM 1286 CZ PHE B 9 3.850 -13.856 -7.285 1.00 0.00 C ATOM 0 H PHE B 9 3.675 -8.123 -10.023 1.00 0.00 H new ATOM 0 HA PHE B 9 3.342 -9.143 -7.437 1.00 0.00 H new ATOM 0 HB2 PHE B 9 4.553 -9.856 -9.865 1.00 0.00 H new ATOM 0 HB3 PHE B 9 5.899 -9.755 -8.747 1.00 0.00 H new ATOM 0 HD1 PHE B 9 5.460 -10.981 -6.365 1.00 0.00 H new ATOM 0 HD2 PHE B 9 3.424 -11.900 -10.060 1.00 0.00 H new ATOM 0 HE1 PHE B 9 4.906 -13.248 -5.498 1.00 0.00 H new ATOM 0 HE2 PHE B 9 2.868 -14.166 -9.188 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.609 -14.839 -6.907 1.00 0.00 H new ATOM 1296 N GLN B 10 6.106 -7.315 -7.847 1.00 0.00 N ATOM 1297 CA GLN B 10 7.115 -6.551 -7.135 1.00 0.00 C ATOM 1298 C GLN B 10 6.428 -5.548 -6.205 1.00 0.00 C ATOM 1299 O GLN B 10 6.654 -5.621 -4.989 1.00 0.00 O ATOM 1300 CB GLN B 10 8.067 -5.842 -8.099 1.00 0.00 C ATOM 1301 CG GLN B 10 9.264 -6.732 -8.442 1.00 0.00 C ATOM 1302 CD GLN B 10 9.376 -6.941 -9.953 1.00 0.00 C ATOM 1303 OE1 GLN B 10 9.294 -6.014 -10.743 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.565 -8.208 -10.311 1.00 0.00 N ATOM 0 H GLN B 10 6.213 -7.307 -8.861 1.00 0.00 H new ATOM 0 HA GLN B 10 7.718 -7.237 -6.541 1.00 0.00 H new ATOM 0 HB2 GLN B 10 7.534 -5.576 -9.012 1.00 0.00 H new ATOM 0 HB3 GLN B 10 8.417 -4.912 -7.651 1.00 0.00 H new ATOM 0 HG2 GLN B 10 10.180 -6.277 -8.065 1.00 0.00 H new ATOM 0 HG3 GLN B 10 9.159 -7.696 -7.945 1.00 0.00 H new ATOM 0 HE21 GLN B 10 9.624 -8.936 -9.599 1.00 0.00 H new ATOM 0 HE22 GLN B 10 9.651 -8.452 -11.298 1.00 0.00 H new ATOM 1313 N VAL B 11 5.617 -4.646 -6.786 1.00 0.00 N ATOM 1314 CA VAL B 11 4.905 -3.640 -6.016 1.00 0.00 C ATOM 1315 C VAL B 11 4.251 -4.303 -4.802 1.00 0.00 C ATOM 1316 O VAL B 11 4.629 -3.965 -3.670 1.00 0.00 O ATOM 1317 CB VAL B 11 3.903 -2.908 -6.910 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.866 -2.159 -6.072 1.00 0.00 C ATOM 1319 CG2 VAL B 11 4.619 -1.959 -7.873 1.00 0.00 C ATOM 0 H VAL B 11 5.445 -4.603 -7.791 1.00 0.00 H new ATOM 0 HA VAL B 11 5.596 -2.885 -5.642 1.00 0.00 H new ATOM 0 HB VAL B 11 3.377 -3.655 -7.505 1.00 0.00 H new ATOM 0 HG11 VAL B 11 2.166 -1.647 -6.732 1.00 0.00 H new ATOM 0 HG12 VAL B 11 2.323 -2.868 -5.446 1.00 0.00 H new ATOM 0 HG13 VAL B 11 3.369 -1.428 -5.439 1.00 0.00 H new ATOM 0 HG21 VAL B 11 3.884 -1.451 -8.497 1.00 0.00 H new ATOM 0 HG22 VAL B 11 5.184 -1.221 -7.304 1.00 0.00 H new ATOM 0 HG23 VAL B 11 5.300 -2.528 -8.505 1.00 0.00 H new ATOM 1329 N ASP B 12 3.298 -5.217 -5.056 1.00 0.00 N ATOM 1330 CA ASP B 12 2.600 -5.918 -3.991 1.00 0.00 C ATOM 1331 C ASP B 12 3.581 -6.218 -2.856 1.00 0.00 C ATOM 1332 O ASP B 12 3.313 -5.797 -1.720 1.00 0.00 O ATOM 1333 CB ASP B 12 2.032 -7.249 -4.488 1.00 0.00 C ATOM 1334 CG ASP B 12 1.087 -7.954 -3.513 1.00 0.00 C ATOM 1335 OD1 ASP B 12 0.920 -7.523 -2.362 1.00 0.00 O ATOM 1336 OD2 ASP B 12 0.498 -9.001 -3.984 1.00 0.00 O ATOM 0 H ASP B 12 3.001 -5.480 -5.996 1.00 0.00 H new ATOM 0 HA ASP B 12 1.784 -5.283 -3.648 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.500 -7.073 -5.423 1.00 0.00 H new ATOM 0 HB3 ASP B 12 2.862 -7.919 -4.715 1.00 0.00 H new ATOM 1341 N CYS B 13 4.677 -6.926 -3.177 1.00 0.00 N ATOM 1342 CA CYS B 13 5.685 -7.275 -2.190 1.00 0.00 C ATOM 1343 C CYS B 13 6.040 -6.035 -1.369 1.00 0.00 C ATOM 1344 O CYS B 13 5.886 -6.078 -0.139 1.00 0.00 O ATOM 1345 CB CYS B 13 6.918 -7.893 -2.855 1.00 0.00 C ATOM 1346 SG CYS B 13 7.014 -9.704 -2.751 1.00 0.00 S ATOM 0 H CYS B 13 4.878 -7.264 -4.118 1.00 0.00 H new ATOM 0 HA CYS B 13 5.283 -8.032 -1.516 1.00 0.00 H new ATOM 0 HB2 CYS B 13 6.931 -7.603 -3.906 1.00 0.00 H new ATOM 0 HB3 CYS B 13 7.811 -7.469 -2.396 1.00 0.00 H new ATOM 0 HG CYS B 13 7.030 -10.207 -3.950 1.00 0.00 H new ATOM 1352 N PHE B 14 6.501 -4.972 -2.052 1.00 0.00 N ATOM 1353 CA PHE B 14 6.873 -3.734 -1.389 1.00 0.00 C ATOM 1354 C PHE B 14 5.739 -3.296 -0.461 1.00 0.00 C ATOM 1355 O PHE B 14 6.023 -2.946 0.695 1.00 0.00 O ATOM 1356 CB PHE B 14 7.157 -2.654 -2.452 1.00 0.00 C ATOM 1357 CG PHE B 14 7.631 -1.320 -1.891 1.00 0.00 C ATOM 1358 CD1 PHE B 14 8.999 -1.121 -1.597 1.00 0.00 C ATOM 1359 CD2 PHE B 14 6.709 -0.271 -1.668 1.00 0.00 C ATOM 1360 CE1 PHE B 14 9.441 0.116 -1.082 1.00 0.00 C ATOM 1361 CE2 PHE B 14 7.152 0.966 -1.152 1.00 0.00 C ATOM 1362 CZ PHE B 14 8.518 1.159 -0.859 1.00 0.00 C ATOM 0 H PHE B 14 6.621 -4.957 -3.065 1.00 0.00 H new ATOM 0 HA PHE B 14 7.773 -3.883 -0.792 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.912 -3.032 -3.142 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.250 -2.487 -3.033 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.708 -1.918 -1.767 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.663 -0.417 -1.893 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.487 0.264 -0.858 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.445 1.764 -0.982 1.00 0.00 H new ATOM 0 HZ PHE B 14 8.857 2.105 -0.464 1.00 0.00 H new ATOM 1372 N LEU B 15 4.496 -3.323 -0.974 1.00 0.00 N ATOM 1373 CA LEU B 15 3.332 -2.933 -0.196 1.00 0.00 C ATOM 1374 C LEU B 15 3.309 -3.726 1.111 1.00 0.00 C ATOM 1375 O LEU B 15 2.989 -3.135 2.154 1.00 0.00 O ATOM 1376 CB LEU B 15 2.057 -3.082 -1.029 1.00 0.00 C ATOM 1377 CG LEU B 15 2.085 -2.441 -2.418 1.00 0.00 C ATOM 1378 CD1 LEU B 15 0.669 -2.275 -2.974 1.00 0.00 C ATOM 1379 CD2 LEU B 15 2.851 -1.117 -2.397 1.00 0.00 C ATOM 0 H LEU B 15 4.283 -3.614 -1.928 1.00 0.00 H new ATOM 0 HA LEU B 15 3.388 -1.878 0.072 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.845 -4.145 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.228 -2.651 -0.468 1.00 0.00 H new ATOM 0 HG LEU B 15 2.619 -3.111 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.717 -1.817 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.191 -3.252 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.089 -1.638 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.855 -0.683 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU B 15 2.368 -0.428 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.877 -1.295 -2.074 1.00 0.00 H new ATOM 1391 N TRP B 16 3.642 -5.026 1.033 1.00 0.00 N ATOM 1392 CA TRP B 16 3.659 -5.888 2.203 1.00 0.00 C ATOM 1393 C TRP B 16 4.728 -5.396 3.180 1.00 0.00 C ATOM 1394 O TRP B 16 4.470 -5.406 4.391 1.00 0.00 O ATOM 1395 CB TRP B 16 3.858 -7.347 1.784 1.00 0.00 C ATOM 1396 CG TRP B 16 3.655 -8.354 2.917 1.00 0.00 C ATOM 1397 CD1 TRP B 16 2.522 -8.970 3.281 1.00 0.00 C ATOM 1398 CD2 TRP B 16 4.666 -8.839 3.826 1.00 0.00 C ATOM 1399 NE1 TRP B 16 2.727 -9.814 4.354 1.00 0.00 N ATOM 1400 CE2 TRP B 16 4.072 -9.731 4.696 1.00 0.00 C ATOM 1401 CE3 TRP B 16 6.035 -8.534 3.911 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 4.772 -10.392 5.712 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 6.722 -9.203 4.932 1.00 0.00 C ATOM 1404 CH2 TRP B 16 6.139 -10.103 5.816 1.00 0.00 C ATOM 0 H TRP B 16 3.902 -5.494 0.165 1.00 0.00 H new ATOM 0 HA TRP B 16 2.700 -5.843 2.719 1.00 0.00 H new ATOM 0 HB2 TRP B 16 3.164 -7.580 0.976 1.00 0.00 H new ATOM 0 HB3 TRP B 16 4.865 -7.465 1.383 1.00 0.00 H new ATOM 0 HD1 TRP B 16 1.568 -8.824 2.796 1.00 0.00 H new ATOM 0 HE1 TRP B 16 2.022 -10.392 4.811 1.00 0.00 H new ATOM 0 HE3 TRP B 16 6.519 -7.838 3.242 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 4.285 -11.087 6.380 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 7.778 -9.006 5.040 1.00 0.00 H new ATOM 0 HH2 TRP B 16 6.737 -10.578 6.580 1.00 0.00 H new ATOM 1415 N HIS B 17 5.890 -4.982 2.641 1.00 0.00 N ATOM 1416 CA HIS B 17 6.985 -4.492 3.460 1.00 0.00 C ATOM 1417 C HIS B 17 6.528 -3.246 4.223 1.00 0.00 C ATOM 1418 O HIS B 17 6.636 -3.239 5.457 1.00 0.00 O ATOM 1419 CB HIS B 17 8.233 -4.242 2.611 1.00 0.00 C ATOM 1420 CG HIS B 17 8.997 -5.496 2.259 1.00 0.00 C ATOM 1421 ND1 HIS B 17 8.660 -6.551 1.462 1.00 0.00 N flip ATOM 1422 CD2 HIS B 17 10.264 -5.765 2.749 1.00 0.00 C flip ATOM 1423 CE1 HIS B 17 9.666 -7.416 1.464 1.00 0.00 C flip ATOM 1424 NE2 HIS B 17 10.662 -6.931 2.261 1.00 0.00 N flip ATOM 0 H HIS B 17 6.083 -4.982 1.639 1.00 0.00 H new ATOM 0 HA HIS B 17 7.265 -5.248 4.193 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.939 -3.738 1.691 1.00 0.00 H new ATOM 0 HB3 HIS B 17 8.896 -3.564 3.148 1.00 0.00 H new ATOM 0 HD2 HIS B 17 10.831 -5.132 3.415 1.00 0.00 H new ATOM 0 HE1 HIS B 17 9.692 -8.351 0.924 1.00 0.00 H new ATOM 0 HE2 HIS B 17 11.556 -7.386 2.448 1.00 0.00 H new ATOM 1432 N VAL B 18 6.035 -2.235 3.485 1.00 0.00 N ATOM 1433 CA VAL B 18 5.568 -0.999 4.088 1.00 0.00 C ATOM 1434 C VAL B 18 4.453 -1.314 5.088 1.00 0.00 C ATOM 1435 O VAL B 18 4.360 -0.614 6.107 1.00 0.00 O ATOM 1436 CB VAL B 18 5.133 -0.017 2.999 1.00 0.00 C ATOM 1437 CG1 VAL B 18 6.339 0.487 2.202 1.00 0.00 C ATOM 1438 CG2 VAL B 18 4.092 -0.649 2.075 1.00 0.00 C ATOM 0 H VAL B 18 5.955 -2.262 2.469 1.00 0.00 H new ATOM 0 HA VAL B 18 6.374 -0.516 4.640 1.00 0.00 H new ATOM 0 HB VAL B 18 4.671 0.841 3.487 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.002 1.184 1.434 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.032 0.994 2.873 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.842 -0.357 1.731 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.800 0.070 1.310 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.517 -1.533 1.599 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.216 -0.936 2.656 1.00 0.00 H new ATOM 1448 N ARG B 19 3.644 -2.343 4.782 1.00 0.00 N ATOM 1449 CA ARG B 19 2.547 -2.745 5.648 1.00 0.00 C ATOM 1450 C ARG B 19 3.108 -3.196 6.998 1.00 0.00 C ATOM 1451 O ARG B 19 2.805 -2.546 8.010 1.00 0.00 O ATOM 1452 CB ARG B 19 1.733 -3.884 5.035 1.00 0.00 C ATOM 1453 CG ARG B 19 0.610 -3.341 4.148 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.214 -4.482 3.548 1.00 0.00 C ATOM 1455 NE ARG B 19 -1.339 -3.932 2.758 1.00 0.00 N ATOM 1456 CZ ARG B 19 -2.398 -4.659 2.342 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -2.455 -5.960 2.652 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -3.378 -4.086 1.629 1.00 0.00 N ATOM 0 H ARG B 19 3.738 -2.906 3.937 1.00 0.00 H new ATOM 0 HA ARG B 19 1.886 -1.888 5.776 1.00 0.00 H new ATOM 0 HB2 ARG B 19 2.387 -4.527 4.446 1.00 0.00 H new ATOM 0 HB3 ARG B 19 1.309 -4.500 5.828 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.038 -2.689 4.734 1.00 0.00 H new ATOM 0 HG3 ARG B 19 1.034 -2.734 3.348 1.00 0.00 H new ATOM 0 HD2 ARG B 19 0.418 -5.103 2.913 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -0.596 -5.123 4.343 1.00 0.00 H new ATOM 0 HE ARG B 19 -1.312 -2.942 2.513 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -1.705 -6.388 3.195 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -3.248 -6.523 2.345 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -3.327 -3.094 1.397 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -4.175 -4.642 1.318 1.00 0.00 H new ATOM 1472 N LYS B 20 3.902 -4.282 6.988 1.00 0.00 N ATOM 1473 CA LYS B 20 4.497 -4.812 8.202 1.00 0.00 C ATOM 1474 C LYS B 20 5.229 -3.689 8.939 1.00 0.00 C ATOM 1475 O LYS B 20 5.289 -3.737 10.176 1.00 0.00 O ATOM 1476 CB LYS B 20 5.383 -6.017 7.883 1.00 0.00 C ATOM 1477 CG LYS B 20 6.863 -5.637 7.928 1.00 0.00 C ATOM 1478 CD LYS B 20 7.402 -5.699 9.360 1.00 0.00 C ATOM 1479 CE LYS B 20 8.399 -4.569 9.620 1.00 0.00 C ATOM 1480 NZ LYS B 20 9.771 -5.012 9.319 1.00 0.00 N ATOM 0 H LYS B 20 4.140 -4.803 6.144 1.00 0.00 H new ATOM 0 HA LYS B 20 3.723 -5.183 8.874 1.00 0.00 H new ATOM 0 HB2 LYS B 20 5.187 -6.816 8.598 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.133 -6.405 6.895 1.00 0.00 H new ATOM 0 HG2 LYS B 20 7.435 -6.312 7.291 1.00 0.00 H new ATOM 0 HG3 LYS B 20 6.996 -4.632 7.529 1.00 0.00 H new ATOM 0 HD2 LYS B 20 6.575 -5.629 10.067 1.00 0.00 H new ATOM 0 HD3 LYS B 20 7.885 -6.661 9.529 1.00 0.00 H new ATOM 0 HE2 LYS B 20 8.147 -3.705 9.005 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.333 -4.250 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 10.435 -4.233 9.501 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 10.014 -5.823 9.923 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 9.833 -5.294 8.320 1.00 0.00 H new ATOM 1494 N GLN B 21 5.760 -2.716 8.178 1.00 0.00 N ATOM 1495 CA GLN B 21 6.480 -1.594 8.756 1.00 0.00 C ATOM 1496 C GLN B 21 5.507 -0.726 9.555 1.00 0.00 C ATOM 1497 O GLN B 21 5.891 -0.250 10.634 1.00 0.00 O ATOM 1498 CB GLN B 21 7.193 -0.770 7.680 1.00 0.00 C ATOM 1499 CG GLN B 21 8.461 -0.121 8.238 1.00 0.00 C ATOM 1500 CD GLN B 21 9.509 -1.178 8.591 1.00 0.00 C ATOM 1501 OE1 GLN B 21 9.481 -1.563 9.864 1.00 0.00 O flip ATOM 1502 NE2 GLN B 21 10.291 -1.616 7.764 1.00 0.00 N flip ATOM 0 H GLN B 21 5.698 -2.694 7.160 1.00 0.00 H new ATOM 0 HA GLN B 21 7.250 -1.980 9.424 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.449 -1.411 6.836 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.521 0.001 7.302 1.00 0.00 H new ATOM 0 HG2 GLN B 21 8.872 0.572 7.504 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.215 0.462 9.125 1.00 0.00 H new ATOM 0 HE21 GLN B 21 10.259 -1.277 6.802 1.00 0.00 H new ATOM 0 HE22 GLN B 21 10.977 -2.321 8.034 1.00 0.00 H new ATOM 1511 N VAL B 22 4.286 -0.540 9.021 1.00 0.00 N ATOM 1512 CA VAL B 22 3.271 0.262 9.681 1.00 0.00 C ATOM 1513 C VAL B 22 2.834 -0.435 10.970 1.00 0.00 C ATOM 1514 O VAL B 22 2.752 0.239 12.007 1.00 0.00 O ATOM 1515 CB VAL B 22 2.108 0.526 8.721 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.890 -0.322 9.090 1.00 0.00 C ATOM 1517 CG2 VAL B 22 1.752 2.014 8.689 1.00 0.00 C ATOM 0 H VAL B 22 3.990 -0.941 8.131 1.00 0.00 H new ATOM 0 HA VAL B 22 3.675 1.236 9.959 1.00 0.00 H new ATOM 0 HB VAL B 22 2.426 0.236 7.720 1.00 0.00 H new ATOM 0 HG11 VAL B 22 0.078 -0.115 8.393 1.00 0.00 H new ATOM 0 HG12 VAL B 22 1.153 -1.379 9.038 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.570 -0.077 10.103 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.923 2.175 8.000 1.00 0.00 H new ATOM 0 HG22 VAL B 22 1.462 2.340 9.688 1.00 0.00 H new ATOM 0 HG23 VAL B 22 2.617 2.588 8.357 1.00 0.00 H new ATOM 1527 N VAL B 23 2.567 -1.751 10.883 1.00 0.00 N ATOM 1528 CA VAL B 23 2.143 -2.529 12.034 1.00 0.00 C ATOM 1529 C VAL B 23 3.268 -2.551 13.072 1.00 0.00 C ATOM 1530 O VAL B 23 2.969 -2.432 14.269 1.00 0.00 O ATOM 1531 CB VAL B 23 1.712 -3.928 11.590 1.00 0.00 C ATOM 1532 CG1 VAL B 23 1.272 -4.772 12.789 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.603 -3.852 10.538 1.00 0.00 C ATOM 0 H VAL B 23 2.641 -2.288 10.019 1.00 0.00 H new ATOM 0 HA VAL B 23 1.274 -2.070 12.506 1.00 0.00 H new ATOM 0 HB VAL B 23 2.574 -4.415 11.134 1.00 0.00 H new ATOM 0 HG11 VAL B 23 0.971 -5.762 12.446 1.00 0.00 H new ATOM 0 HG12 VAL B 23 2.101 -4.868 13.490 1.00 0.00 H new ATOM 0 HG13 VAL B 23 0.431 -4.288 13.285 1.00 0.00 H new ATOM 0 HG21 VAL B 23 0.315 -4.860 10.239 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.261 -3.337 10.957 1.00 0.00 H new ATOM 0 HG23 VAL B 23 0.964 -3.305 9.667 1.00 0.00 H new ATOM 1543 N ASP B 24 4.519 -2.700 12.600 1.00 0.00 N ATOM 1544 CA ASP B 24 5.674 -2.737 13.479 1.00 0.00 C ATOM 1545 C ASP B 24 5.721 -1.451 14.307 1.00 0.00 C ATOM 1546 O ASP B 24 6.286 -1.479 15.410 1.00 0.00 O ATOM 1547 CB ASP B 24 6.973 -2.831 12.678 1.00 0.00 C ATOM 1548 CG ASP B 24 8.252 -2.849 13.519 1.00 0.00 C ATOM 1549 OD1 ASP B 24 8.724 -3.915 13.941 1.00 0.00 O ATOM 1550 OD2 ASP B 24 8.775 -1.691 13.741 1.00 0.00 O ATOM 0 H ASP B 24 4.743 -2.796 11.610 1.00 0.00 H new ATOM 0 HA ASP B 24 5.582 -3.614 14.120 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.943 -3.735 12.070 1.00 0.00 H new ATOM 0 HB3 ASP B 24 7.020 -1.987 11.990 1.00 0.00 H new ATOM 1555 N GLN B 25 5.137 -0.366 13.767 1.00 0.00 N ATOM 1556 CA GLN B 25 5.113 0.916 14.451 1.00 0.00 C ATOM 1557 C GLN B 25 3.757 1.098 15.136 1.00 0.00 C ATOM 1558 O GLN B 25 3.405 2.244 15.452 1.00 0.00 O ATOM 1559 CB GLN B 25 5.401 2.071 13.489 1.00 0.00 C ATOM 1560 CG GLN B 25 6.840 2.566 13.642 1.00 0.00 C ATOM 1561 CD GLN B 25 6.891 4.093 13.707 1.00 0.00 C ATOM 1562 OE1 GLN B 25 6.076 4.793 13.129 1.00 0.00 O ATOM 1563 NE2 GLN B 25 7.892 4.570 14.442 1.00 0.00 N ATOM 0 H GLN B 25 4.678 -0.364 12.856 1.00 0.00 H new ATOM 0 HA GLN B 25 5.901 0.926 15.204 1.00 0.00 H new ATOM 0 HB2 GLN B 25 5.232 1.745 12.463 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.708 2.890 13.681 1.00 0.00 H new ATOM 0 HG2 GLN B 25 7.279 2.145 14.547 1.00 0.00 H new ATOM 0 HG3 GLN B 25 7.440 2.214 12.803 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.540 3.928 14.900 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.012 5.577 14.548 1.00 0.00 H new ATOM 1572 N GLU B 26 3.035 -0.017 15.349 1.00 0.00 N ATOM 1573 CA GLU B 26 1.731 0.020 15.990 1.00 0.00 C ATOM 1574 C GLU B 26 1.066 1.368 15.704 1.00 0.00 C ATOM 1575 O GLU B 26 0.649 2.035 16.662 1.00 0.00 O ATOM 1576 CB GLU B 26 1.839 -0.230 17.496 1.00 0.00 C ATOM 1577 CG GLU B 26 2.515 0.949 18.201 1.00 0.00 C ATOM 1578 CD GLU B 26 3.380 0.467 19.366 1.00 0.00 C ATOM 1579 OE1 GLU B 26 2.892 -0.520 20.036 1.00 0.00 O ATOM 1580 OE2 GLU B 26 4.463 1.023 19.604 1.00 0.00 O ATOM 0 H GLU B 26 3.344 -0.952 15.082 1.00 0.00 H new ATOM 0 HA GLU B 26 1.115 -0.780 15.579 1.00 0.00 H new ATOM 0 HB2 GLU B 26 0.845 -0.387 17.914 1.00 0.00 H new ATOM 0 HB3 GLU B 26 2.409 -1.142 17.677 1.00 0.00 H new ATOM 0 HG2 GLU B 26 3.131 1.499 17.489 1.00 0.00 H new ATOM 0 HG3 GLU B 26 1.757 1.641 18.568 1.00 0.00 H new ATOM 1587 N LEU B 27 0.980 1.736 14.413 1.00 0.00 N ATOM 1588 CA LEU B 27 0.370 2.990 14.009 1.00 0.00 C ATOM 1589 C LEU B 27 -0.867 2.700 13.157 1.00 0.00 C ATOM 1590 O LEU B 27 -1.454 3.654 12.625 1.00 0.00 O ATOM 1591 CB LEU B 27 1.398 3.887 13.316 1.00 0.00 C ATOM 1592 CG LEU B 27 1.674 3.577 11.842 1.00 0.00 C ATOM 1593 CD1 LEU B 27 1.183 4.713 10.942 1.00 0.00 C ATOM 1594 CD2 LEU B 27 3.154 3.264 11.616 1.00 0.00 C ATOM 0 H LEU B 27 1.330 1.172 13.638 1.00 0.00 H new ATOM 0 HA LEU B 27 0.032 3.548 14.882 1.00 0.00 H new ATOM 0 HB2 LEU B 27 1.059 4.920 13.392 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.338 3.819 13.863 1.00 0.00 H new ATOM 0 HG LEU B 27 1.111 2.684 11.569 1.00 0.00 H new ATOM 0 HD11 LEU B 27 1.391 4.468 9.900 1.00 0.00 H new ATOM 0 HD12 LEU B 27 0.109 4.845 11.076 1.00 0.00 H new ATOM 0 HD13 LEU B 27 1.698 5.636 11.207 1.00 0.00 H new ATOM 0 HD21 LEU B 27 3.323 3.047 10.561 1.00 0.00 H new ATOM 0 HD22 LEU B 27 3.757 4.123 11.911 1.00 0.00 H new ATOM 0 HD23 LEU B 27 3.438 2.398 12.214 1.00 0.00 H new ATOM 1606 N GLY B 28 -1.233 1.411 13.044 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.388 1.003 12.265 1.00 0.00 C ATOM 1608 C GLY B 28 -3.665 1.354 13.031 1.00 0.00 C ATOM 1609 O GLY B 28 -3.615 2.258 13.878 1.00 0.00 O ATOM 0 H GLY B 28 -0.735 0.640 13.489 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.382 1.503 11.296 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -2.350 -0.069 12.071 1.00 0.00 H new ATOM 1613 N ASP B 29 -4.766 0.644 12.724 1.00 0.00 N ATOM 1614 CA ASP B 29 -6.041 0.880 13.379 1.00 0.00 C ATOM 1615 C ASP B 29 -6.702 -0.463 13.696 1.00 0.00 C ATOM 1616 O ASP B 29 -7.247 -0.606 14.800 1.00 0.00 O ATOM 1617 CB ASP B 29 -6.988 1.671 12.474 1.00 0.00 C ATOM 1618 CG ASP B 29 -8.460 1.631 12.886 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -8.835 2.109 13.967 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -9.250 1.071 12.033 1.00 0.00 O ATOM 0 H ASP B 29 -4.786 -0.097 12.023 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.852 1.450 14.289 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -6.661 2.710 12.451 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -6.900 1.287 11.458 1.00 0.00 H new ATOM 1625 N ALA B 30 -6.643 -1.405 12.738 1.00 0.00 N ATOM 1626 CA ALA B 30 -7.231 -2.722 12.914 1.00 0.00 C ATOM 1627 C ALA B 30 -7.274 -3.441 11.564 1.00 0.00 C ATOM 1628 O ALA B 30 -6.984 -4.646 11.529 1.00 0.00 O ATOM 1629 CB ALA B 30 -8.685 -2.579 13.371 1.00 0.00 C ATOM 0 H ALA B 30 -6.190 -1.267 11.835 1.00 0.00 H new ATOM 0 HA ALA B 30 -6.637 -3.271 13.644 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -9.124 -3.568 13.502 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -8.718 -2.039 14.317 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -9.250 -2.028 12.619 1.00 0.00 H new ATOM 1635 N PRO B 31 -7.630 -2.701 10.499 1.00 0.00 N ATOM 1636 CA PRO B 31 -7.719 -3.231 9.149 1.00 0.00 C ATOM 1637 C PRO B 31 -6.327 -3.439 8.548 1.00 0.00 C ATOM 1638 O PRO B 31 -6.200 -4.251 7.621 1.00 0.00 O ATOM 1639 CB PRO B 31 -8.551 -2.217 8.382 1.00 0.00 C ATOM 1640 CG PRO B 31 -8.506 -0.936 9.201 1.00 0.00 C ATOM 1641 CD PRO B 31 -7.966 -1.283 10.578 1.00 0.00 C ATOM 0 HA PRO B 31 -8.184 -4.216 9.114 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -8.147 -2.056 7.383 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -9.576 -2.566 8.259 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -7.870 -0.195 8.717 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -9.501 -0.498 9.280 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -7.090 -0.682 10.823 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -8.709 -1.095 11.353 1.00 0.00 H new ATOM 1649 N PHE B 32 -5.327 -2.713 9.079 1.00 0.00 N ATOM 1650 CA PHE B 32 -3.960 -2.817 8.599 1.00 0.00 C ATOM 1651 C PHE B 32 -3.389 -4.181 8.990 1.00 0.00 C ATOM 1652 O PHE B 32 -2.694 -4.789 8.163 1.00 0.00 O ATOM 1653 CB PHE B 32 -3.120 -1.677 9.208 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.224 -0.348 8.471 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -4.167 -0.180 7.430 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.374 0.726 8.823 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -4.257 1.052 6.747 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -2.466 1.956 8.139 1.00 0.00 C ATOM 1659 CZ PHE B 32 -3.408 2.120 7.102 1.00 0.00 C ATOM 0 H PHE B 32 -5.453 -2.049 9.843 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.935 -2.728 7.513 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.429 -1.529 10.243 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.075 -1.985 9.229 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -4.820 -0.996 7.157 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -1.653 0.604 9.617 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -4.977 1.177 5.952 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.814 2.774 8.410 1.00 0.00 H new ATOM 0 HZ PHE B 32 -3.479 3.063 6.580 1.00 0.00 H new ATOM 1669 N LEU B 33 -3.688 -4.627 10.224 1.00 0.00 N ATOM 1670 CA LEU B 33 -3.208 -5.907 10.717 1.00 0.00 C ATOM 1671 C LEU B 33 -4.015 -7.034 10.069 1.00 0.00 C ATOM 1672 O LEU B 33 -3.403 -8.009 9.610 1.00 0.00 O ATOM 1673 CB LEU B 33 -3.232 -5.935 12.247 1.00 0.00 C ATOM 1674 CG LEU B 33 -2.578 -7.150 12.906 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -1.378 -7.638 12.090 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -2.199 -6.850 14.357 1.00 0.00 C ATOM 0 H LEU B 33 -4.262 -4.110 10.890 1.00 0.00 H new ATOM 0 HA LEU B 33 -2.166 -6.057 10.434 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.736 -5.037 12.615 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.270 -5.883 12.575 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.306 -7.961 12.924 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.932 -8.503 12.581 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -1.708 -7.919 11.090 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -0.639 -6.840 12.017 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -1.736 -7.731 14.802 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -1.496 -6.017 14.385 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -3.095 -6.588 14.920 1.00 0.00 H new ATOM 1688 N ASP B 34 -5.351 -6.880 10.045 1.00 0.00 N ATOM 1689 CA ASP B 34 -6.231 -7.877 9.459 1.00 0.00 C ATOM 1690 C ASP B 34 -5.877 -8.058 7.981 1.00 0.00 C ATOM 1691 O ASP B 34 -5.646 -9.203 7.565 1.00 0.00 O ATOM 1692 CB ASP B 34 -7.695 -7.441 9.545 1.00 0.00 C ATOM 1693 CG ASP B 34 -8.371 -7.706 10.891 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -7.565 -7.967 11.864 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -9.605 -7.666 11.005 1.00 0.00 O ATOM 0 H ASP B 34 -5.835 -6.068 10.429 1.00 0.00 H new ATOM 0 HA ASP B 34 -6.100 -8.808 10.011 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -7.754 -6.374 9.330 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -8.258 -7.955 8.766 1.00 0.00 H new ATOM 1700 N ARG B 35 -5.842 -6.942 7.230 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.519 -6.977 5.814 1.00 0.00 C ATOM 1702 C ARG B 35 -4.130 -7.590 5.626 1.00 0.00 C ATOM 1703 O ARG B 35 -3.993 -8.497 4.792 1.00 0.00 O ATOM 1704 CB ARG B 35 -5.540 -5.578 5.197 1.00 0.00 C ATOM 1705 CG ARG B 35 -6.972 -5.061 5.056 1.00 0.00 C ATOM 1706 CD ARG B 35 -6.998 -3.534 4.957 1.00 0.00 C ATOM 1707 NE ARG B 35 -5.700 -3.039 4.445 1.00 0.00 N ATOM 1708 CZ ARG B 35 -5.564 -2.278 3.338 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -6.659 -1.939 2.644 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -4.352 -1.869 2.940 1.00 0.00 N ATOM 0 H ARG B 35 -6.036 -6.008 7.592 1.00 0.00 H new ATOM 0 HA ARG B 35 -6.273 -7.581 5.311 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -4.963 -4.894 5.819 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -5.060 -5.601 4.219 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -7.433 -5.494 4.168 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -7.565 -5.383 5.912 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.804 -3.218 4.295 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -7.201 -3.101 5.936 1.00 0.00 H new ATOM 0 HE ARG B 35 -4.856 -3.288 4.961 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -7.578 -2.255 2.954 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -6.574 -1.365 1.805 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -3.524 -2.132 3.474 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -4.257 -1.294 2.103 1.00 0.00 H new ATOM 1724 N LEU B 36 -3.144 -7.092 6.393 1.00 0.00 N ATOM 1725 CA LEU B 36 -1.780 -7.588 6.313 1.00 0.00 C ATOM 1726 C LEU B 36 -1.780 -9.104 6.515 1.00 0.00 C ATOM 1727 O LEU B 36 -1.084 -9.800 5.762 1.00 0.00 O ATOM 1728 CB LEU B 36 -0.878 -6.836 7.293 1.00 0.00 C ATOM 1729 CG LEU B 36 0.496 -7.457 7.552 1.00 0.00 C ATOM 1730 CD1 LEU B 36 1.612 -6.577 6.984 1.00 0.00 C ATOM 1731 CD2 LEU B 36 0.696 -7.746 9.040 1.00 0.00 C ATOM 0 H LEU B 36 -3.278 -6.344 7.074 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.363 -7.399 5.324 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.732 -5.823 6.918 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.401 -6.751 8.245 1.00 0.00 H new ATOM 0 HG LEU B 36 0.542 -8.413 7.030 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.578 -7.042 7.182 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.476 -6.466 5.908 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.578 -5.596 7.457 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.681 -8.187 9.196 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.621 -6.817 9.604 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -0.071 -8.441 9.382 1.00 0.00 H new ATOM 1743 N ARG B 37 -2.548 -9.578 7.513 1.00 0.00 N ATOM 1744 CA ARG B 37 -2.636 -10.998 7.809 1.00 0.00 C ATOM 1745 C ARG B 37 -3.081 -11.750 6.553 1.00 0.00 C ATOM 1746 O ARG B 37 -2.373 -12.679 6.139 1.00 0.00 O ATOM 1747 CB ARG B 37 -3.626 -11.277 8.941 1.00 0.00 C ATOM 1748 CG ARG B 37 -2.893 -11.647 10.232 1.00 0.00 C ATOM 1749 CD ARG B 37 -3.675 -11.178 11.461 1.00 0.00 C ATOM 1750 NE ARG B 37 -4.829 -12.075 11.697 1.00 0.00 N ATOM 1751 CZ ARG B 37 -6.011 -11.668 12.207 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -6.172 -10.376 12.523 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -7.009 -12.543 12.392 1.00 0.00 N ATOM 0 H ARG B 37 -3.113 -8.987 8.123 1.00 0.00 H new ATOM 0 HA ARG B 37 -1.651 -11.338 8.128 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -4.247 -10.398 9.111 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -4.294 -12.088 8.653 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -2.751 -12.727 10.277 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -1.901 -11.195 10.233 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -3.024 -11.170 12.336 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -4.022 -10.155 11.313 1.00 0.00 H new ATOM 0 HE ARG B 37 -4.725 -13.061 11.460 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -5.408 -9.716 12.377 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -7.059 -10.052 12.909 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -6.879 -13.525 12.147 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -7.899 -12.227 12.778 1.00 0.00 H new ATOM 1767 N ARG B 38 -4.229 -11.342 5.981 1.00 0.00 N ATOM 1768 CA ARG B 38 -4.760 -11.971 4.785 1.00 0.00 C ATOM 1769 C ARG B 38 -3.772 -11.785 3.633 1.00 0.00 C ATOM 1770 O ARG B 38 -3.762 -12.625 2.721 1.00 0.00 O ATOM 1771 CB ARG B 38 -6.114 -11.378 4.389 1.00 0.00 C ATOM 1772 CG ARG B 38 -7.069 -11.346 5.584 1.00 0.00 C ATOM 1773 CD ARG B 38 -8.499 -11.677 5.151 1.00 0.00 C ATOM 1774 NE ARG B 38 -8.884 -13.014 5.653 1.00 0.00 N ATOM 1775 CZ ARG B 38 -10.159 -13.405 5.866 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -11.153 -12.543 5.611 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -10.425 -14.637 6.323 1.00 0.00 N ATOM 0 H ARG B 38 -4.799 -10.576 6.339 1.00 0.00 H new ATOM 0 HA ARG B 38 -4.903 -13.031 4.997 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.974 -10.368 4.004 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -6.552 -11.968 3.584 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -6.739 -12.061 6.338 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -7.044 -10.360 6.048 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -9.187 -10.924 5.534 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -8.573 -11.653 4.064 1.00 0.00 H new ATOM 0 HE ARG B 38 -8.140 -13.683 5.851 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -10.941 -11.608 5.262 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -12.122 -12.821 5.766 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -9.662 -15.287 6.512 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -11.391 -14.925 6.481 1.00 0.00 H new ATOM 1791 N ASP B 39 -2.973 -10.705 3.694 1.00 0.00 N ATOM 1792 CA ASP B 39 -1.991 -10.414 2.663 1.00 0.00 C ATOM 1793 C ASP B 39 -0.844 -11.422 2.757 1.00 0.00 C ATOM 1794 O ASP B 39 -0.301 -11.796 1.707 1.00 0.00 O ATOM 1795 CB ASP B 39 -1.404 -9.012 2.841 1.00 0.00 C ATOM 1796 CG ASP B 39 -0.931 -8.340 1.551 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -1.462 -8.604 0.462 1.00 0.00 O ATOM 1798 OD2 ASP B 39 0.040 -7.504 1.697 1.00 0.00 O ATOM 0 H ASP B 39 -2.997 -10.024 4.453 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.490 -10.476 1.696 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -2.156 -8.377 3.309 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -0.563 -9.072 3.531 1.00 0.00 H new ATOM 1803 N GLN B 40 -0.506 -11.835 3.991 1.00 0.00 N ATOM 1804 CA GLN B 40 0.566 -12.791 4.216 1.00 0.00 C ATOM 1805 C GLN B 40 0.173 -14.142 3.615 1.00 0.00 C ATOM 1806 O GLN B 40 1.024 -14.770 2.970 1.00 0.00 O ATOM 1807 CB GLN B 40 0.894 -12.926 5.704 1.00 0.00 C ATOM 1808 CG GLN B 40 1.941 -14.019 5.937 1.00 0.00 C ATOM 1809 CD GLN B 40 3.357 -13.447 5.852 1.00 0.00 C ATOM 1810 OE1 GLN B 40 3.675 -12.965 4.654 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 4.112 -13.445 6.810 1.00 0.00 N flip ATOM 0 H GLN B 40 -0.967 -11.515 4.842 1.00 0.00 H new ATOM 0 HA GLN B 40 1.468 -12.428 3.724 1.00 0.00 H new ATOM 0 HB2 GLN B 40 1.264 -11.975 6.086 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -0.013 -13.162 6.260 1.00 0.00 H new ATOM 0 HG2 GLN B 40 1.786 -14.473 6.916 1.00 0.00 H new ATOM 0 HG3 GLN B 40 1.819 -14.809 5.196 1.00 0.00 H new ATOM 0 HE21 GLN B 40 3.804 -13.831 7.703 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.051 -13.057 6.719 1.00 0.00 H new ATOM 1820 N LYS B 41 -1.088 -14.555 3.837 1.00 0.00 N ATOM 1821 CA LYS B 41 -1.585 -15.820 3.322 1.00 0.00 C ATOM 1822 C LYS B 41 -1.640 -15.756 1.793 1.00 0.00 C ATOM 1823 O LYS B 41 -1.090 -16.658 1.145 1.00 0.00 O ATOM 1824 CB LYS B 41 -2.925 -16.174 3.971 1.00 0.00 C ATOM 1825 CG LYS B 41 -2.984 -17.659 4.331 1.00 0.00 C ATOM 1826 CD LYS B 41 -4.171 -18.342 3.647 1.00 0.00 C ATOM 1827 CE LYS B 41 -3.919 -18.507 2.148 1.00 0.00 C ATOM 1828 NZ LYS B 41 -4.354 -19.839 1.695 1.00 0.00 N ATOM 0 H LYS B 41 -1.774 -14.022 4.372 1.00 0.00 H new ATOM 0 HA LYS B 41 -0.906 -16.631 3.584 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -3.069 -15.573 4.869 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -3.739 -15.929 3.289 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -2.057 -18.147 4.031 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -3.068 -17.772 5.412 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -4.344 -19.318 4.100 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -5.074 -17.753 3.805 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -4.456 -17.736 1.596 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -2.859 -18.372 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -4.176 -19.934 0.675 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -3.823 -20.571 2.209 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -5.371 -19.954 1.881 1.00 0.00 H new ATOM 1842 N SER B 42 -2.293 -14.710 1.257 1.00 0.00 N ATOM 1843 CA SER B 42 -2.417 -14.534 -0.180 1.00 0.00 C ATOM 1844 C SER B 42 -1.022 -14.425 -0.798 1.00 0.00 C ATOM 1845 O SER B 42 -0.636 -15.336 -1.547 1.00 0.00 O ATOM 1846 CB SER B 42 -3.248 -13.295 -0.523 1.00 0.00 C ATOM 1847 OG SER B 42 -3.741 -13.336 -1.858 1.00 0.00 O ATOM 0 H SER B 42 -2.740 -13.978 1.809 1.00 0.00 H new ATOM 0 HA SER B 42 -2.935 -15.400 -0.592 1.00 0.00 H new ATOM 0 HB2 SER B 42 -4.085 -13.217 0.170 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.639 -12.401 -0.389 1.00 0.00 H new ATOM 0 HG SER B 42 -4.267 -12.529 -2.037 1.00 0.00 H new ATOM 1853 N LEU B 43 -0.304 -13.333 -0.479 1.00 0.00 N ATOM 1854 CA LEU B 43 1.034 -13.112 -1.000 1.00 0.00 C ATOM 1855 C LEU B 43 1.830 -14.416 -0.922 1.00 0.00 C ATOM 1856 O LEU B 43 2.249 -14.915 -1.976 1.00 0.00 O ATOM 1857 CB LEU B 43 1.702 -11.940 -0.278 1.00 0.00 C ATOM 1858 CG LEU B 43 3.038 -11.468 -0.858 1.00 0.00 C ATOM 1859 CD1 LEU B 43 2.828 -10.334 -1.863 1.00 0.00 C ATOM 1860 CD2 LEU B 43 4.010 -11.075 0.255 1.00 0.00 C ATOM 0 H LEU B 43 -0.640 -12.595 0.140 1.00 0.00 H new ATOM 0 HA LEU B 43 0.991 -12.827 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.011 -11.097 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.860 -12.223 0.763 1.00 0.00 H new ATOM 0 HG LEU B 43 3.489 -12.299 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.792 -10.017 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.196 -10.684 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.346 -9.492 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU B 43 4.951 -10.744 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU B 43 3.580 -10.266 0.845 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.193 -11.935 0.899 1.00 0.00 H new ATOM 1872 N ARG B 44 2.018 -14.934 0.305 1.00 0.00 N ATOM 1873 CA ARG B 44 2.755 -16.168 0.515 1.00 0.00 C ATOM 1874 C ARG B 44 2.383 -17.172 -0.577 1.00 0.00 C ATOM 1875 O ARG B 44 3.295 -17.704 -1.226 1.00 0.00 O ATOM 1876 CB ARG B 44 2.453 -16.779 1.885 1.00 0.00 C ATOM 1877 CG ARG B 44 3.131 -18.142 2.038 1.00 0.00 C ATOM 1878 CD ARG B 44 4.214 -18.098 3.119 1.00 0.00 C ATOM 1879 NE ARG B 44 3.599 -18.239 4.458 1.00 0.00 N ATOM 1880 CZ ARG B 44 4.115 -18.994 5.451 1.00 0.00 C ATOM 1881 NH1 ARG B 44 5.253 -19.665 5.233 1.00 0.00 N ATOM 1882 NH2 ARG B 44 3.496 -19.070 6.637 1.00 0.00 N ATOM 0 H ARG B 44 1.664 -14.507 1.161 1.00 0.00 H new ATOM 0 HA ARG B 44 3.819 -15.936 0.474 1.00 0.00 H new ATOM 0 HB2 ARG B 44 2.798 -16.107 2.671 1.00 0.00 H new ATOM 0 HB3 ARG B 44 1.376 -16.889 2.009 1.00 0.00 H new ATOM 0 HG2 ARG B 44 2.387 -18.896 2.295 1.00 0.00 H new ATOM 0 HG3 ARG B 44 3.573 -18.441 1.088 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.936 -18.898 2.955 1.00 0.00 H new ATOM 0 HD3 ARG B 44 4.762 -17.158 3.059 1.00 0.00 H new ATOM 0 HE ARG B 44 2.732 -17.735 4.642 1.00 0.00 H new ATOM 0 HH11 ARG B 44 5.717 -19.601 4.327 1.00 0.00 H new ATOM 0 HH12 ARG B 44 5.656 -20.240 5.973 1.00 0.00 H new ATOM 0 HH21 ARG B 44 2.629 -18.555 6.794 1.00 0.00 H new ATOM 0 HH22 ARG B 44 3.891 -19.642 7.383 1.00 0.00 H new ATOM 1896 N GLY B 45 1.070 -17.408 -0.757 1.00 0.00 N ATOM 1897 CA GLY B 45 0.586 -18.339 -1.761 1.00 0.00 C ATOM 1898 C GLY B 45 1.207 -17.991 -3.115 1.00 0.00 C ATOM 1899 O GLY B 45 1.828 -18.875 -3.723 1.00 0.00 O ATOM 0 H GLY B 45 0.334 -16.959 -0.212 1.00 0.00 H new ATOM 0 HA2 GLY B 45 0.845 -19.360 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -0.501 -18.291 -1.824 1.00 0.00 H new ATOM 1903 N ARG B 46 1.029 -16.732 -3.553 1.00 0.00 N ATOM 1904 CA ARG B 46 1.569 -16.274 -4.823 1.00 0.00 C ATOM 1905 C ARG B 46 3.067 -16.582 -4.875 1.00 0.00 C ATOM 1906 O ARG B 46 3.484 -17.334 -5.769 1.00 0.00 O ATOM 1907 CB ARG B 46 1.356 -14.772 -5.017 1.00 0.00 C ATOM 1908 CG ARG B 46 -0.114 -14.459 -5.302 1.00 0.00 C ATOM 1909 CD ARG B 46 -0.292 -12.999 -5.724 1.00 0.00 C ATOM 1910 NE ARG B 46 -0.660 -12.927 -7.155 1.00 0.00 N ATOM 1911 CZ ARG B 46 -0.356 -11.889 -7.964 1.00 0.00 C ATOM 1912 NH1 ARG B 46 0.320 -10.848 -7.458 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -0.726 -11.899 -9.251 1.00 0.00 N ATOM 0 H ARG B 46 0.512 -16.020 -3.037 1.00 0.00 H new ATOM 0 HA ARG B 46 1.044 -16.797 -5.622 1.00 0.00 H new ATOM 0 HB2 ARG B 46 1.679 -14.237 -4.124 1.00 0.00 H new ATOM 0 HB3 ARG B 46 1.974 -14.417 -5.842 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -0.483 -15.116 -6.089 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -0.711 -14.660 -4.413 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -1.065 -12.528 -5.117 1.00 0.00 H new ATOM 0 HD3 ARG B 46 0.631 -12.446 -5.549 1.00 0.00 H new ATOM 0 HE ARG B 46 -1.176 -13.710 -7.556 1.00 0.00 H new ATOM 0 HH11 ARG B 46 0.597 -10.848 -6.476 1.00 0.00 H new ATOM 0 HH12 ARG B 46 0.558 -10.056 -8.055 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -1.242 -12.695 -9.627 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -0.492 -11.111 -9.855 1.00 0.00 H new ATOM 1927 N GLY B 47 3.833 -16.003 -3.934 1.00 0.00 N ATOM 1928 CA GLY B 47 5.270 -16.215 -3.875 1.00 0.00 C ATOM 1929 C GLY B 47 5.575 -17.691 -4.131 1.00 0.00 C ATOM 1930 O GLY B 47 6.509 -17.976 -4.895 1.00 0.00 O ATOM 0 H GLY B 47 3.470 -15.386 -3.208 1.00 0.00 H new ATOM 0 HA2 GLY B 47 5.771 -15.594 -4.618 1.00 0.00 H new ATOM 0 HA3 GLY B 47 5.653 -15.917 -2.899 1.00 0.00 H new ATOM 1934 N SER B 48 4.796 -18.587 -3.499 1.00 0.00 N ATOM 1935 CA SER B 48 4.982 -20.019 -3.660 1.00 0.00 C ATOM 1936 C SER B 48 4.685 -20.408 -5.109 1.00 0.00 C ATOM 1937 O SER B 48 5.525 -21.084 -5.721 1.00 0.00 O ATOM 1938 CB SER B 48 4.087 -20.810 -2.703 1.00 0.00 C ATOM 1939 OG SER B 48 3.775 -22.105 -3.211 1.00 0.00 O ATOM 0 H SER B 48 4.032 -18.332 -2.873 1.00 0.00 H new ATOM 0 HA SER B 48 6.016 -20.264 -3.419 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.586 -20.909 -1.739 1.00 0.00 H new ATOM 0 HB3 SER B 48 3.164 -20.257 -2.529 1.00 0.00 H new ATOM 0 HG SER B 48 3.204 -22.579 -2.571 1.00 0.00 H new ATOM 1945 N THR B 49 3.515 -19.984 -5.619 1.00 0.00 N ATOM 1946 CA THR B 49 3.115 -20.287 -6.982 1.00 0.00 C ATOM 1947 C THR B 49 4.314 -20.101 -7.914 1.00 0.00 C ATOM 1948 O THR B 49 4.860 -21.111 -8.381 1.00 0.00 O ATOM 1949 CB THR B 49 1.919 -19.406 -7.348 1.00 0.00 C ATOM 1950 OG1 THR B 49 0.788 -20.243 -7.122 1.00 0.00 O ATOM 1951 CG2 THR B 49 1.858 -19.093 -8.845 1.00 0.00 C ATOM 0 H THR B 49 2.836 -19.430 -5.097 1.00 0.00 H new ATOM 0 HA THR B 49 2.797 -21.325 -7.085 1.00 0.00 H new ATOM 0 HB THR B 49 1.969 -18.474 -6.784 1.00 0.00 H new ATOM 0 HG1 THR B 49 -0.032 -19.749 -7.333 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.991 -18.465 -9.050 1.00 0.00 H new ATOM 0 HG22 THR B 49 2.765 -18.568 -9.144 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.774 -20.023 -9.408 1.00 0.00 H new ATOM 1959 N LEU B 50 4.693 -18.835 -8.163 1.00 0.00 N ATOM 1960 CA LEU B 50 5.816 -18.524 -9.031 1.00 0.00 C ATOM 1961 C LEU B 50 7.083 -19.172 -8.470 1.00 0.00 C ATOM 1962 O LEU B 50 7.843 -19.759 -9.254 1.00 0.00 O ATOM 1963 CB LEU B 50 5.936 -17.011 -9.230 1.00 0.00 C ATOM 1964 CG LEU B 50 6.170 -16.541 -10.668 1.00 0.00 C ATOM 1965 CD1 LEU B 50 5.482 -15.199 -10.924 1.00 0.00 C ATOM 1966 CD2 LEU B 50 7.664 -16.491 -10.992 1.00 0.00 C ATOM 0 H LEU B 50 4.229 -18.017 -7.769 1.00 0.00 H new ATOM 0 HA LEU B 50 5.657 -18.942 -10.025 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.025 -16.542 -8.859 1.00 0.00 H new ATOM 0 HB3 LEU B 50 6.756 -16.647 -8.611 1.00 0.00 H new ATOM 0 HG LEU B 50 5.719 -17.268 -11.343 1.00 0.00 H new ATOM 0 HD11 LEU B 50 5.664 -14.887 -11.953 1.00 0.00 H new ATOM 0 HD12 LEU B 50 4.409 -15.303 -10.760 1.00 0.00 H new ATOM 0 HD13 LEU B 50 5.882 -14.449 -10.242 1.00 0.00 H new ATOM 0 HD21 LEU B 50 7.802 -16.154 -12.019 1.00 0.00 H new ATOM 0 HD22 LEU B 50 8.161 -15.798 -10.313 1.00 0.00 H new ATOM 0 HD23 LEU B 50 8.095 -17.485 -10.875 1.00 0.00 H new ATOM 1978 N GLY B 51 7.284 -19.053 -7.145 1.00 0.00 N ATOM 1979 CA GLY B 51 8.449 -19.622 -6.488 1.00 0.00 C ATOM 1980 C GLY B 51 9.632 -18.664 -6.635 1.00 0.00 C ATOM 1981 O GLY B 51 10.779 -19.121 -6.521 1.00 0.00 O ATOM 0 H GLY B 51 6.646 -18.564 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY B 51 8.237 -19.796 -5.433 1.00 0.00 H new ATOM 0 HA3 GLY B 51 8.693 -20.589 -6.928 1.00 0.00 H new ATOM 1985 N LEU B 52 9.336 -17.375 -6.881 1.00 0.00 N ATOM 1986 CA LEU B 52 10.367 -16.364 -7.041 1.00 0.00 C ATOM 1987 C LEU B 52 11.017 -16.086 -5.684 1.00 0.00 C ATOM 1988 O LEU B 52 11.412 -17.050 -5.010 1.00 0.00 O ATOM 1989 CB LEU B 52 9.796 -15.117 -7.717 1.00 0.00 C ATOM 1990 CG LEU B 52 8.403 -14.681 -7.254 1.00 0.00 C ATOM 1991 CD1 LEU B 52 8.437 -14.186 -5.807 1.00 0.00 C ATOM 1992 CD2 LEU B 52 7.812 -13.639 -8.204 1.00 0.00 C ATOM 0 H LEU B 52 8.384 -17.020 -6.971 1.00 0.00 H new ATOM 0 HA LEU B 52 11.154 -16.724 -7.704 1.00 0.00 H new ATOM 0 HB2 LEU B 52 10.487 -14.290 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU B 52 9.761 -15.294 -8.792 1.00 0.00 H new ATOM 0 HG LEU B 52 7.745 -15.550 -7.281 1.00 0.00 H new ATOM 0 HD11 LEU B 52 7.435 -13.882 -5.503 1.00 0.00 H new ATOM 0 HD12 LEU B 52 8.787 -14.988 -5.156 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.113 -13.335 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU B 52 6.823 -13.346 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU B 52 8.461 -12.764 -8.233 1.00 0.00 H new ATOM 0 HD23 LEU B 52 7.731 -14.064 -9.205 1.00 0.00 H new ATOM 2004 N ASN B 53 11.113 -14.796 -5.316 1.00 0.00 N ATOM 2005 CA ASN B 53 11.709 -14.398 -4.052 1.00 0.00 C ATOM 2006 C ASN B 53 11.054 -13.102 -3.570 1.00 0.00 C ATOM 2007 O ASN B 53 11.414 -12.033 -4.085 1.00 0.00 O ATOM 2008 CB ASN B 53 13.210 -14.140 -4.207 1.00 0.00 C ATOM 2009 CG ASN B 53 13.995 -14.769 -3.055 1.00 0.00 C ATOM 2010 OD1 ASN B 53 14.979 -15.466 -3.247 1.00 0.00 O ATOM 2011 ND2 ASN B 53 13.509 -14.487 -1.850 1.00 0.00 N ATOM 0 H ASN B 53 10.781 -14.018 -5.886 1.00 0.00 H new ATOM 0 HA ASN B 53 11.554 -15.206 -3.337 1.00 0.00 H new ATOM 0 HB2 ASN B 53 13.557 -14.550 -5.155 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.397 -13.067 -4.236 1.00 0.00 H new ATOM 0 HD21 ASN B 53 13.963 -14.860 -1.017 1.00 0.00 H new ATOM 0 HD22 ASN B 53 12.682 -13.897 -1.759 1.00 0.00 H new ATOM 2018 N ILE B 54 10.122 -13.220 -2.608 1.00 0.00 N ATOM 2019 CA ILE B 54 9.427 -12.066 -2.064 1.00 0.00 C ATOM 2020 C ILE B 54 10.424 -10.923 -1.862 1.00 0.00 C ATOM 2021 O ILE B 54 10.084 -9.778 -2.196 1.00 0.00 O ATOM 2022 CB ILE B 54 8.665 -12.449 -0.793 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.209 -12.795 -1.110 1.00 0.00 C ATOM 2024 CG2 ILE B 54 8.778 -11.350 0.266 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.122 -13.808 -2.253 1.00 0.00 C ATOM 0 H ILE B 54 9.840 -14.110 -2.198 1.00 0.00 H new ATOM 0 HA ILE B 54 8.672 -11.711 -2.766 1.00 0.00 H new ATOM 0 HB ILE B 54 9.124 -13.345 -0.376 1.00 0.00 H new ATOM 0 HG12 ILE B 54 6.727 -13.202 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE B 54 6.667 -11.889 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE B 54 8.228 -11.647 1.159 1.00 0.00 H new ATOM 0 HG22 ILE B 54 9.827 -11.196 0.520 1.00 0.00 H new ATOM 0 HG23 ILE B 54 8.360 -10.423 -0.126 1.00 0.00 H new ATOM 0 HD11 ILE B 54 6.076 -14.036 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE B 54 7.584 -13.389 -3.147 1.00 0.00 H new ATOM 0 HD13 ILE B 54 7.644 -14.722 -1.970 1.00 0.00 H new ATOM 2037 N GLU B 55 11.615 -11.249 -1.329 1.00 0.00 N ATOM 2038 CA GLU B 55 12.648 -10.257 -1.087 1.00 0.00 C ATOM 2039 C GLU B 55 13.033 -9.594 -2.411 1.00 0.00 C ATOM 2040 O GLU B 55 12.760 -8.396 -2.571 1.00 0.00 O ATOM 2041 CB GLU B 55 13.871 -10.874 -0.406 1.00 0.00 C ATOM 2042 CG GLU B 55 14.239 -10.106 0.865 1.00 0.00 C ATOM 2043 CD GLU B 55 15.553 -10.620 1.456 1.00 0.00 C ATOM 2044 OE1 GLU B 55 16.398 -11.074 0.594 1.00 0.00 O ATOM 2045 OE2 GLU B 55 15.739 -10.580 2.681 1.00 0.00 O ATOM 0 H GLU B 55 11.875 -12.198 -1.061 1.00 0.00 H new ATOM 0 HA GLU B 55 12.254 -9.501 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU B 55 13.667 -11.916 -0.159 1.00 0.00 H new ATOM 0 HB3 GLU B 55 14.716 -10.870 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU B 55 14.329 -9.044 0.639 1.00 0.00 H new ATOM 0 HG3 GLU B 55 13.441 -10.209 1.600 1.00 0.00 H new ATOM 2052 N ALA B 56 13.649 -10.373 -3.317 1.00 0.00 N ATOM 2053 CA ALA B 56 14.066 -9.866 -4.613 1.00 0.00 C ATOM 2054 C ALA B 56 12.951 -8.996 -5.197 1.00 0.00 C ATOM 2055 O ALA B 56 13.209 -7.817 -5.481 1.00 0.00 O ATOM 2056 CB ALA B 56 14.257 -11.030 -5.586 1.00 0.00 C ATOM 0 H ALA B 56 13.865 -11.358 -3.164 1.00 0.00 H new ATOM 0 HA ALA B 56 14.991 -9.304 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA B 56 14.570 -10.645 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA B 56 15.021 -11.705 -5.200 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.317 -11.571 -5.696 1.00 0.00 H new ATOM 2062 N ALA B 57 11.753 -9.584 -5.364 1.00 0.00 N ATOM 2063 CA ALA B 57 10.612 -8.868 -5.909 1.00 0.00 C ATOM 2064 C ALA B 57 10.495 -7.506 -5.223 1.00 0.00 C ATOM 2065 O ALA B 57 10.700 -6.486 -5.898 1.00 0.00 O ATOM 2066 CB ALA B 57 9.324 -9.626 -5.580 1.00 0.00 C ATOM 0 H ALA B 57 11.561 -10.557 -5.125 1.00 0.00 H new ATOM 0 HA ALA B 57 10.750 -8.767 -6.986 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.470 -9.087 -5.990 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.367 -10.624 -6.017 1.00 0.00 H new ATOM 0 HB3 ALA B 57 9.216 -9.708 -4.498 1.00 0.00 H new ATOM 2072 N THR B 58 10.173 -7.516 -3.917 1.00 0.00 N ATOM 2073 CA THR B 58 10.032 -6.289 -3.150 1.00 0.00 C ATOM 2074 C THR B 58 11.203 -5.357 -3.465 1.00 0.00 C ATOM 2075 O THR B 58 11.025 -4.133 -3.372 1.00 0.00 O ATOM 2076 CB THR B 58 9.925 -6.650 -1.667 1.00 0.00 C ATOM 2077 OG1 THR B 58 8.891 -5.799 -1.177 1.00 0.00 O ATOM 2078 CG2 THR B 58 11.162 -6.230 -0.871 1.00 0.00 C ATOM 0 H THR B 58 10.008 -8.367 -3.380 1.00 0.00 H new ATOM 0 HA THR B 58 9.124 -5.750 -3.420 1.00 0.00 H new ATOM 0 HB THR B 58 9.776 -7.725 -1.565 1.00 0.00 H new ATOM 0 HG1 THR B 58 8.520 -6.177 -0.353 1.00 0.00 H new ATOM 0 HG21 THR B 58 11.034 -6.509 0.175 1.00 0.00 H new ATOM 0 HG22 THR B 58 12.042 -6.730 -1.275 1.00 0.00 H new ATOM 0 HG23 THR B 58 11.293 -5.150 -0.945 1.00 0.00 H new ATOM 2086 N HIS B 59 12.359 -5.943 -3.827 1.00 0.00 N ATOM 2087 CA HIS B 59 13.546 -5.171 -4.152 1.00 0.00 C ATOM 2088 C HIS B 59 13.285 -4.351 -5.417 1.00 0.00 C ATOM 2089 O HIS B 59 13.249 -3.115 -5.323 1.00 0.00 O ATOM 2090 CB HIS B 59 14.773 -6.076 -4.275 1.00 0.00 C ATOM 2091 CG HIS B 59 16.037 -5.476 -3.710 1.00 0.00 C ATOM 2092 ND1 HIS B 59 17.236 -5.464 -4.403 1.00 0.00 N ATOM 2093 CD2 HIS B 59 16.278 -4.867 -2.513 1.00 0.00 C ATOM 2094 CE1 HIS B 59 18.150 -4.873 -3.647 1.00 0.00 C ATOM 2095 NE2 HIS B 59 17.555 -4.505 -2.476 1.00 0.00 N ATOM 0 H HIS B 59 12.484 -6.953 -3.898 1.00 0.00 H new ATOM 0 HA HIS B 59 13.766 -4.475 -3.342 1.00 0.00 H new ATOM 0 HB2 HIS B 59 14.570 -7.017 -3.764 1.00 0.00 H new ATOM 0 HB3 HIS B 59 14.934 -6.312 -5.327 1.00 0.00 H new ATOM 0 HD2 HIS B 59 15.553 -4.707 -1.729 1.00 0.00 H new ATOM 0 HE1 HIS B 59 19.184 -4.711 -3.912 1.00 0.00 H new ATOM 0 HE2 HIS B 59 18.015 -4.030 -1.700 1.00 0.00 H new ATOM 2103 N VAL B 60 13.110 -5.043 -6.557 1.00 0.00 N ATOM 2104 CA VAL B 60 12.855 -4.383 -7.827 1.00 0.00 C ATOM 2105 C VAL B 60 11.678 -3.419 -7.668 1.00 0.00 C ATOM 2106 O VAL B 60 11.726 -2.327 -8.254 1.00 0.00 O ATOM 2107 CB VAL B 60 12.630 -5.427 -8.922 1.00 0.00 C ATOM 2108 CG1 VAL B 60 11.700 -4.886 -10.011 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.960 -5.892 -9.519 1.00 0.00 C ATOM 0 H VAL B 60 13.143 -6.061 -6.613 1.00 0.00 H new ATOM 0 HA VAL B 60 13.719 -3.793 -8.132 1.00 0.00 H new ATOM 0 HB VAL B 60 12.147 -6.292 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL B 60 11.556 -5.647 -10.778 1.00 0.00 H new ATOM 0 HG12 VAL B 60 10.737 -4.627 -9.571 1.00 0.00 H new ATOM 0 HG13 VAL B 60 12.144 -3.998 -10.460 1.00 0.00 H new ATOM 0 HG21 VAL B 60 13.771 -6.634 -10.295 1.00 0.00 H new ATOM 0 HG22 VAL B 60 14.482 -5.039 -9.952 1.00 0.00 H new ATOM 0 HG23 VAL B 60 14.575 -6.335 -8.736 1.00 0.00 H new ATOM 2119 N GLY B 61 10.659 -3.834 -6.893 1.00 0.00 N ATOM 2120 CA GLY B 61 9.483 -3.014 -6.662 1.00 0.00 C ATOM 2121 C GLY B 61 9.899 -1.722 -5.955 1.00 0.00 C ATOM 2122 O GLY B 61 9.507 -0.643 -6.421 1.00 0.00 O ATOM 0 H GLY B 61 10.638 -4.738 -6.420 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.995 -2.783 -7.609 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.760 -3.558 -6.055 1.00 0.00 H new ATOM 2126 N LYS B 62 10.672 -1.856 -4.862 1.00 0.00 N ATOM 2127 CA LYS B 62 11.133 -0.708 -4.101 1.00 0.00 C ATOM 2128 C LYS B 62 11.773 0.307 -5.052 1.00 0.00 C ATOM 2129 O LYS B 62 11.578 1.512 -4.845 1.00 0.00 O ATOM 2130 CB LYS B 62 12.058 -1.154 -2.965 1.00 0.00 C ATOM 2131 CG LYS B 62 13.388 -0.400 -3.012 1.00 0.00 C ATOM 2132 CD LYS B 62 13.236 1.014 -2.446 1.00 0.00 C ATOM 2133 CE LYS B 62 14.312 1.947 -3.007 1.00 0.00 C ATOM 2134 NZ LYS B 62 14.984 2.672 -1.918 1.00 0.00 N ATOM 0 H LYS B 62 10.985 -2.755 -4.495 1.00 0.00 H new ATOM 0 HA LYS B 62 10.292 -0.208 -3.620 1.00 0.00 H new ATOM 0 HB2 LYS B 62 11.571 -0.980 -2.005 1.00 0.00 H new ATOM 0 HB3 LYS B 62 12.241 -2.226 -3.040 1.00 0.00 H new ATOM 0 HG2 LYS B 62 14.140 -0.945 -2.441 1.00 0.00 H new ATOM 0 HG3 LYS B 62 13.745 -0.348 -4.041 1.00 0.00 H new ATOM 0 HD2 LYS B 62 12.248 1.404 -2.691 1.00 0.00 H new ATOM 0 HD3 LYS B 62 13.306 0.984 -1.359 1.00 0.00 H new ATOM 0 HE2 LYS B 62 15.043 1.370 -3.573 1.00 0.00 H new ATOM 0 HE3 LYS B 62 13.861 2.657 -3.700 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 15.711 3.300 -2.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 14.286 3.238 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 15.431 1.991 -1.272 1.00 0.00 H new ATOM 2148 N GLN B 63 12.512 -0.195 -6.058 1.00 0.00 N ATOM 2149 CA GLN B 63 13.171 0.661 -7.029 1.00 0.00 C ATOM 2150 C GLN B 63 12.124 1.255 -7.974 1.00 0.00 C ATOM 2151 O GLN B 63 12.280 2.420 -8.369 1.00 0.00 O ATOM 2152 CB GLN B 63 14.246 -0.099 -7.810 1.00 0.00 C ATOM 2153 CG GLN B 63 15.601 -0.009 -7.106 1.00 0.00 C ATOM 2154 CD GLN B 63 15.851 -1.245 -6.238 1.00 0.00 C ATOM 2155 OE1 GLN B 63 16.152 -1.155 -5.059 1.00 0.00 O ATOM 2156 NE2 GLN B 63 15.708 -2.397 -6.884 1.00 0.00 N ATOM 0 H GLN B 63 12.661 -1.193 -6.210 1.00 0.00 H new ATOM 0 HA GLN B 63 13.675 1.468 -6.498 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.955 -1.144 -7.914 1.00 0.00 H new ATOM 0 HB3 GLN B 63 14.327 0.311 -8.817 1.00 0.00 H new ATOM 0 HG2 GLN B 63 16.394 0.086 -7.847 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.634 0.887 -6.487 1.00 0.00 H new ATOM 0 HE21 GLN B 63 15.454 -2.400 -7.872 1.00 0.00 H new ATOM 0 HE22 GLN B 63 15.852 -3.279 -6.392 1.00 0.00 H new ATOM 2165 N ILE B 64 11.095 0.458 -8.310 1.00 0.00 N ATOM 2166 CA ILE B 64 10.035 0.902 -9.198 1.00 0.00 C ATOM 2167 C ILE B 64 9.298 2.080 -8.558 1.00 0.00 C ATOM 2168 O ILE B 64 9.016 3.056 -9.267 1.00 0.00 O ATOM 2169 CB ILE B 64 9.120 -0.267 -9.568 1.00 0.00 C ATOM 2170 CG1 ILE B 64 9.617 -0.974 -10.831 1.00 0.00 C ATOM 2171 CG2 ILE B 64 7.668 0.193 -9.704 1.00 0.00 C ATOM 2172 CD1 ILE B 64 9.183 -0.219 -12.089 1.00 0.00 C ATOM 0 H ILE B 64 10.985 -0.498 -7.973 1.00 0.00 H new ATOM 0 HA ILE B 64 10.453 1.260 -10.139 1.00 0.00 H new ATOM 0 HB ILE B 64 9.152 -0.994 -8.757 1.00 0.00 H new ATOM 0 HG12 ILE B 64 10.704 -1.050 -10.805 1.00 0.00 H new ATOM 0 HG13 ILE B 64 9.226 -1.991 -10.860 1.00 0.00 H new ATOM 0 HG21 ILE B 64 7.040 -0.658 -9.967 1.00 0.00 H new ATOM 0 HG22 ILE B 64 7.330 0.614 -8.757 1.00 0.00 H new ATOM 0 HG23 ILE B 64 7.598 0.951 -10.484 1.00 0.00 H new ATOM 0 HD11 ILE B 64 9.549 -0.743 -12.972 1.00 0.00 H new ATOM 0 HD12 ILE B 64 8.095 -0.165 -12.124 1.00 0.00 H new ATOM 0 HD13 ILE B 64 9.595 0.790 -12.068 1.00 0.00 H new ATOM 2184 N VAL B 65 9.006 1.967 -7.250 1.00 0.00 N ATOM 2185 CA VAL B 65 8.309 3.015 -6.523 1.00 0.00 C ATOM 2186 C VAL B 65 9.204 4.254 -6.439 1.00 0.00 C ATOM 2187 O VAL B 65 8.765 5.329 -6.871 1.00 0.00 O ATOM 2188 CB VAL B 65 7.871 2.499 -5.151 1.00 0.00 C ATOM 2189 CG1 VAL B 65 7.411 3.650 -4.254 1.00 0.00 C ATOM 2190 CG2 VAL B 65 6.777 1.439 -5.288 1.00 0.00 C ATOM 0 H VAL B 65 9.247 1.154 -6.684 1.00 0.00 H new ATOM 0 HA VAL B 65 7.400 3.306 -7.050 1.00 0.00 H new ATOM 0 HB VAL B 65 8.734 2.030 -4.678 1.00 0.00 H new ATOM 0 HG11 VAL B 65 7.105 3.256 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL B 65 8.231 4.355 -4.117 1.00 0.00 H new ATOM 0 HG13 VAL B 65 6.568 4.161 -4.721 1.00 0.00 H new ATOM 0 HG21 VAL B 65 6.484 1.089 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL B 65 5.912 1.872 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL B 65 7.154 0.600 -5.873 1.00 0.00 H new ATOM 2200 N GLU B 66 10.421 4.079 -5.892 1.00 0.00 N ATOM 2201 CA GLU B 66 11.366 5.174 -5.754 1.00 0.00 C ATOM 2202 C GLU B 66 11.573 5.839 -7.117 1.00 0.00 C ATOM 2203 O GLU B 66 11.863 7.044 -7.147 1.00 0.00 O ATOM 2204 CB GLU B 66 12.697 4.697 -5.169 1.00 0.00 C ATOM 2205 CG GLU B 66 13.829 4.846 -6.188 1.00 0.00 C ATOM 2206 CD GLU B 66 15.157 4.357 -5.606 1.00 0.00 C ATOM 2207 OE1 GLU B 66 15.627 5.075 -4.642 1.00 0.00 O ATOM 2208 OE2 GLU B 66 15.699 3.342 -6.065 1.00 0.00 O ATOM 0 H GLU B 66 10.762 3.184 -5.542 1.00 0.00 H new ATOM 0 HA GLU B 66 10.956 5.904 -5.056 1.00 0.00 H new ATOM 0 HB2 GLU B 66 12.931 5.272 -4.273 1.00 0.00 H new ATOM 0 HB3 GLU B 66 12.612 3.654 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU B 66 13.591 4.278 -7.087 1.00 0.00 H new ATOM 0 HG3 GLU B 66 13.921 5.891 -6.485 1.00 0.00 H new ATOM 2215 N LYS B 67 11.424 5.054 -8.198 1.00 0.00 N ATOM 2216 CA LYS B 67 11.594 5.564 -9.548 1.00 0.00 C ATOM 2217 C LYS B 67 10.360 6.379 -9.940 1.00 0.00 C ATOM 2218 O LYS B 67 10.492 7.282 -10.781 1.00 0.00 O ATOM 2219 CB LYS B 67 11.908 4.421 -10.516 1.00 0.00 C ATOM 2220 CG LYS B 67 11.793 4.887 -11.969 1.00 0.00 C ATOM 2221 CD LYS B 67 11.891 3.702 -12.934 1.00 0.00 C ATOM 2222 CE LYS B 67 12.395 4.153 -14.306 1.00 0.00 C ATOM 2223 NZ LYS B 67 11.346 4.898 -15.022 1.00 0.00 N ATOM 0 H LYS B 67 11.186 4.063 -8.151 1.00 0.00 H new ATOM 0 HA LYS B 67 12.450 6.237 -9.596 1.00 0.00 H new ATOM 0 HB2 LYS B 67 12.915 4.047 -10.329 1.00 0.00 H new ATOM 0 HB3 LYS B 67 11.222 3.592 -10.341 1.00 0.00 H new ATOM 0 HG2 LYS B 67 10.844 5.402 -12.115 1.00 0.00 H new ATOM 0 HG3 LYS B 67 12.583 5.605 -12.188 1.00 0.00 H new ATOM 0 HD2 LYS B 67 12.565 2.950 -12.524 1.00 0.00 H new ATOM 0 HD3 LYS B 67 10.913 3.231 -13.038 1.00 0.00 H new ATOM 0 HE2 LYS B 67 13.278 4.781 -14.187 1.00 0.00 H new ATOM 0 HE3 LYS B 67 12.697 3.285 -14.892 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 11.705 5.197 -15.951 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 10.514 4.288 -15.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 11.077 5.737 -14.469 1.00 0.00 H new ATOM 2237 N ILE B 68 9.205 6.054 -9.333 1.00 0.00 N ATOM 2238 CA ILE B 68 7.962 6.752 -9.617 1.00 0.00 C ATOM 2239 C ILE B 68 7.970 8.107 -8.906 1.00 0.00 C ATOM 2240 O ILE B 68 7.403 9.064 -9.454 1.00 0.00 O ATOM 2241 CB ILE B 68 6.761 5.876 -9.257 1.00 0.00 C ATOM 2242 CG1 ILE B 68 6.497 4.834 -10.345 1.00 0.00 C ATOM 2243 CG2 ILE B 68 5.526 6.731 -8.968 1.00 0.00 C ATOM 2244 CD1 ILE B 68 5.992 3.523 -9.739 1.00 0.00 C ATOM 0 H ILE B 68 9.118 5.308 -8.642 1.00 0.00 H new ATOM 0 HA ILE B 68 7.872 6.952 -10.685 1.00 0.00 H new ATOM 0 HB ILE B 68 6.996 5.332 -8.342 1.00 0.00 H new ATOM 0 HG12 ILE B 68 5.762 5.219 -11.051 1.00 0.00 H new ATOM 0 HG13 ILE B 68 7.413 4.650 -10.907 1.00 0.00 H new ATOM 0 HG21 ILE B 68 4.686 6.084 -8.715 1.00 0.00 H new ATOM 0 HG22 ILE B 68 5.734 7.400 -8.132 1.00 0.00 H new ATOM 0 HG23 ILE B 68 5.277 7.320 -9.851 1.00 0.00 H new ATOM 0 HD11 ILE B 68 5.812 2.800 -10.535 1.00 0.00 H new ATOM 0 HD12 ILE B 68 6.740 3.128 -9.052 1.00 0.00 H new ATOM 0 HD13 ILE B 68 5.063 3.706 -9.198 1.00 0.00 H new ATOM 2256 N LEU B 69 8.602 8.162 -7.720 1.00 0.00 N ATOM 2257 CA LEU B 69 8.682 9.388 -6.944 1.00 0.00 C ATOM 2258 C LEU B 69 9.688 10.336 -7.600 1.00 0.00 C ATOM 2259 O LEU B 69 9.515 11.558 -7.474 1.00 0.00 O ATOM 2260 CB LEU B 69 8.993 9.077 -5.479 1.00 0.00 C ATOM 2261 CG LEU B 69 8.898 7.605 -5.071 1.00 0.00 C ATOM 2262 CD1 LEU B 69 9.473 7.386 -3.671 1.00 0.00 C ATOM 2263 CD2 LEU B 69 7.460 7.096 -5.186 1.00 0.00 C ATOM 0 H LEU B 69 9.063 7.362 -7.286 1.00 0.00 H new ATOM 0 HA LEU B 69 7.719 9.899 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU B 69 10.001 9.430 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.310 9.652 -4.853 1.00 0.00 H new ATOM 0 HG LEU B 69 9.503 7.019 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.393 6.332 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU B 69 10.521 7.685 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.915 7.985 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.420 6.048 -4.890 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.813 7.682 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU B 69 7.120 7.195 -6.217 1.00 0.00 H new ATOM 2275 N LYS B 70 10.702 9.765 -8.274 1.00 0.00 N ATOM 2276 CA LYS B 70 11.724 10.554 -8.940 1.00 0.00 C ATOM 2277 C LYS B 70 11.089 11.335 -10.093 1.00 0.00 C ATOM 2278 O LYS B 70 11.636 12.382 -10.466 1.00 0.00 O ATOM 2279 CB LYS B 70 12.893 9.665 -9.369 1.00 0.00 C ATOM 2280 CG LYS B 70 12.591 8.968 -10.698 1.00 0.00 C ATOM 2281 CD LYS B 70 13.603 9.374 -11.771 1.00 0.00 C ATOM 2282 CE LYS B 70 13.533 10.876 -12.051 1.00 0.00 C ATOM 2283 NZ LYS B 70 12.285 11.212 -12.755 1.00 0.00 N ATOM 0 H LYS B 70 10.826 8.757 -8.365 1.00 0.00 H new ATOM 0 HA LYS B 70 12.147 11.287 -8.253 1.00 0.00 H new ATOM 0 HB2 LYS B 70 13.796 10.267 -9.467 1.00 0.00 H new ATOM 0 HB3 LYS B 70 13.089 8.919 -8.599 1.00 0.00 H new ATOM 0 HG2 LYS B 70 12.616 7.887 -10.560 1.00 0.00 H new ATOM 0 HG3 LYS B 70 11.584 9.224 -11.027 1.00 0.00 H new ATOM 0 HD2 LYS B 70 14.609 9.108 -11.446 1.00 0.00 H new ATOM 0 HD3 LYS B 70 13.407 8.820 -12.689 1.00 0.00 H new ATOM 0 HE2 LYS B 70 13.589 11.430 -11.114 1.00 0.00 H new ATOM 0 HE3 LYS B 70 14.390 11.180 -12.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 12.502 11.483 -13.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 11.653 10.386 -12.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 11.817 12.005 -12.272 1.00 0.00 H new ATOM 2297 N GLU B 71 9.967 10.819 -10.623 1.00 0.00 N ATOM 2298 CA GLU B 71 9.267 11.463 -11.722 1.00 0.00 C ATOM 2299 C GLU B 71 8.392 12.590 -11.172 1.00 0.00 C ATOM 2300 O GLU B 71 8.067 13.511 -11.935 1.00 0.00 O ATOM 2301 CB GLU B 71 8.432 10.461 -12.522 1.00 0.00 C ATOM 2302 CG GLU B 71 8.908 9.028 -12.271 1.00 0.00 C ATOM 2303 CD GLU B 71 8.106 8.030 -13.110 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.911 8.248 -13.358 1.00 0.00 O ATOM 2305 OE2 GLU B 71 8.769 6.998 -13.510 1.00 0.00 O ATOM 0 H GLU B 71 9.533 9.955 -10.299 1.00 0.00 H new ATOM 0 HA GLU B 71 10.004 11.881 -12.408 1.00 0.00 H new ATOM 0 HB2 GLU B 71 7.382 10.553 -12.244 1.00 0.00 H new ATOM 0 HB3 GLU B 71 8.502 10.690 -13.585 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.967 8.945 -12.514 1.00 0.00 H new ATOM 0 HG3 GLU B 71 8.804 8.786 -11.213 1.00 0.00 H new ATOM 2312 N GLU B 72 8.034 12.499 -9.879 1.00 0.00 N ATOM 2313 CA GLU B 72 7.204 13.504 -9.236 1.00 0.00 C ATOM 2314 C GLU B 72 7.242 13.298 -7.720 1.00 0.00 C ATOM 2315 O GLU B 72 6.465 12.474 -7.218 1.00 0.00 O ATOM 2316 CB GLU B 72 5.767 13.466 -9.759 1.00 0.00 C ATOM 2317 CG GLU B 72 5.352 12.037 -10.115 1.00 0.00 C ATOM 2318 CD GLU B 72 3.941 12.008 -10.707 1.00 0.00 C ATOM 2319 OE1 GLU B 72 3.599 12.862 -11.537 1.00 0.00 O ATOM 2320 OE2 GLU B 72 3.189 11.052 -10.276 1.00 0.00 O ATOM 0 H GLU B 72 8.313 11.733 -9.266 1.00 0.00 H new ATOM 0 HA GLU B 72 7.602 14.490 -9.475 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.091 13.868 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.679 14.104 -10.638 1.00 0.00 H new ATOM 0 HG2 GLU B 72 6.059 11.616 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.389 11.411 -9.224 1.00 0.00 H new ATOM 2327 N SER B 73 8.131 14.037 -7.034 1.00 0.00 N ATOM 2328 CA SER B 73 8.267 13.936 -5.591 1.00 0.00 C ATOM 2329 C SER B 73 6.893 14.105 -4.940 1.00 0.00 C ATOM 2330 O SER B 73 6.300 13.133 -4.474 1.00 0.00 O ATOM 2331 CB SER B 73 9.244 14.977 -5.045 1.00 0.00 C ATOM 2332 OG SER B 73 8.736 16.303 -5.170 1.00 0.00 O ATOM 0 H SER B 73 8.763 14.710 -7.468 1.00 0.00 H new ATOM 0 HA SER B 73 8.670 12.952 -5.351 1.00 0.00 H new ATOM 0 HB2 SER B 73 9.451 14.765 -3.996 1.00 0.00 H new ATOM 0 HB3 SER B 73 10.191 14.900 -5.578 1.00 0.00 H new ATOM 0 HG SER B 73 9.388 16.939 -4.809 1.00 0.00 H new TER 2338 SER B 73