USER MOD reduce.3.24.130724 H: found=0, std=0, add=1346, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1340 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot 137:sc= -0.0088 USER MOD Set 1.2: B 42 THR OG1 : rot 73:sc= 1.58 USER MOD Set 2.1: A 43 ASN : amide:sc= 0.333 K(o=0.93,f=-1.5!) USER MOD Set 2.2: A 47 GLN : amide:sc= 0.599 K(o=0.93,f=-0.35) USER MOD Set 3.1: A 8 THR OG1 : rot 165:sc= 1.3 USER MOD Set 3.2: A 11 GLN : amide:sc= 1.05 K(o=2.3,f=-0.99) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.122 (180deg=-0.635) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00541 (180deg=-0.148) USER MOD Single : A 4 THR OG1 : rot 154:sc= 0.605 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0473) USER MOD Single : A 7 TYR OH : rot 90:sc= -1.65! USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 0.599 (180deg=0.48) USER MOD Single : A 25 LYS NZ :NH3+ 141:sc= -0.124 (180deg=-0.647) USER MOD Single : A 26 HIS : no HD1:sc= 0.626 K(o=0.63,f=-5.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 69:sc= 0.648 USER MOD Single : A 35 MET CE :methyl 165:sc= -0.0182 (180deg=-0.165) USER MOD Single : A 39 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.69) USER MOD Single : A 42 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 46 ASN : amide:sc= 1.15 K(o=1.1,f=-6.2!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.1 K(o=-1.1,f=-5.4!) USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= 1 (180deg=0.517) USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0419) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0485 F(o=-1.1,f=-0.048) USER MOD Single : A 66 MET CE :methyl -158:sc= -0.959 (180deg=-2.15) USER MOD Single : A 67 SER OG : rot 18:sc= 0.985 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00546 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 36:sc= 0.437 USER MOD Single : A 75 HIS : no HD1:sc= -0.0586 X(o=-0.059,f=-0.059) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 80 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=-0.0076) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : B 1 MET CE :methyl -157:sc= -0.269 (180deg=-0.992) USER MOD Single : B 1 MET N :NH3+ -124:sc= 1.37 (180deg=-0.184) USER MOD Single : B 4 THR OG1 : rot -119:sc= -0.0407 USER MOD Single : B 5 SER OG : rot 180:sc= 0.0212 USER MOD Single : B 6 LYS NZ :NH3+ -160:sc= -0.106 (180deg=-0.488) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot -63:sc= 0.38 USER MOD Single : B 11 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -159:sc= 1.3 (180deg=1.18) USER MOD Single : B 25 LYS NZ :NH3+ -116:sc= 0.67 (180deg=-2.06!) USER MOD Single : B 26 HIS : no HD1:sc= -0.757 K(o=-0.76,f=-5.7!) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 71:sc= 0.671 USER MOD Single : B 35 MET CE :methyl 171:sc= -0.018 (180deg=-0.196) USER MOD Single : B 39 ASN :FLIP amide:sc= -1.01 F(o=-1.7,f=-1) USER MOD Single : B 43 ASN : amide:sc= 1.01 K(o=1,f=-5!) USER MOD Single : B 46 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -1.96! C(o=-2!,f=-3.3!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ -168:sc= 1.25 (180deg=0.694) USER MOD Single : B 63 GLN : amide:sc= -0.0613 K(o=-0.061,f=-0.7) USER MOD Single : B 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 157:sc= 0.584 USER MOD Single : B 68 SER OG : rot 81:sc= 0.703 USER MOD Single : B 71 THR OG1 : rot 46:sc= 0.307 USER MOD Single : B 73 LYS NZ :NH3+ 165:sc= -0.0698 (180deg=-0.326) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : B 75 HIS : no HD1:sc= -0.0998 K(o=-0.1,f=-0.69) USER MOD Single : B 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 79 HIS :FLIP no HD1:sc= -1.1 F(o=-2.4!,f=-1.1) USER MOD Single : B 80 HIS : no HD1:sc=-0.000274 X(o=-0.00027,f=-0.27) USER MOD Single : B 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : B 83 HIS : no HD1:sc= -0.0611 X(o=-0.061,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.636 -6.467 16.339 1.00 0.00 N ATOM 2 CA MET A 1 -10.361 -5.954 16.885 1.00 0.00 C ATOM 3 C MET A 1 -9.579 -5.241 15.793 1.00 0.00 C ATOM 4 O MET A 1 -9.037 -5.881 14.892 1.00 0.00 O ATOM 5 CB MET A 1 -9.519 -7.095 17.465 1.00 0.00 C ATOM 6 CG MET A 1 -10.196 -7.841 18.604 1.00 0.00 C ATOM 7 SD MET A 1 -9.161 -9.142 19.304 1.00 0.00 S ATOM 8 CE MET A 1 -8.926 -10.201 17.875 1.00 0.00 C ATOM 0 H1 MET A 1 -12.245 -6.785 17.120 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.117 -5.711 15.811 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.444 -7.266 15.702 1.00 0.00 H new ATOM 0 HA MET A 1 -10.589 -5.250 17.686 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.285 -7.802 16.669 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.572 -6.690 17.821 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.461 -7.133 19.389 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.126 -8.279 18.243 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.609 -11.191 18.204 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.864 -10.284 17.326 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.162 -9.772 17.226 1.00 0.00 H new ATOM 17 N PRO A 2 -9.534 -3.901 15.844 1.00 0.00 N ATOM 18 CA PRO A 2 -8.826 -3.095 14.847 1.00 0.00 C ATOM 19 C PRO A 2 -7.315 -3.289 14.913 1.00 0.00 C ATOM 20 O PRO A 2 -6.726 -3.310 15.996 1.00 0.00 O ATOM 21 CB PRO A 2 -9.195 -1.649 15.207 1.00 0.00 C ATOM 22 CG PRO A 2 -10.346 -1.757 16.149 1.00 0.00 C ATOM 23 CD PRO A 2 -10.170 -3.062 16.867 1.00 0.00 C ATOM 0 HA PRO A 2 -9.109 -3.375 13.832 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.355 -1.133 15.671 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.467 -1.080 14.318 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.355 -0.923 16.851 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.294 -1.732 15.612 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.544 -2.957 17.753 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.123 -3.476 17.197 1.00 0.00 H new ATOM 31 N ILE A 3 -6.698 -3.434 13.749 1.00 0.00 N ATOM 32 CA ILE A 3 -5.257 -3.620 13.664 1.00 0.00 C ATOM 33 C ILE A 3 -4.535 -2.279 13.730 1.00 0.00 C ATOM 34 O ILE A 3 -5.160 -1.224 13.581 1.00 0.00 O ATOM 35 CB ILE A 3 -4.858 -4.358 12.368 1.00 0.00 C ATOM 36 CG1 ILE A 3 -5.392 -3.610 11.141 1.00 0.00 C ATOM 37 CG2 ILE A 3 -5.375 -5.789 12.398 1.00 0.00 C ATOM 38 CD1 ILE A 3 -5.006 -4.242 9.822 1.00 0.00 C ATOM 0 H ILE A 3 -7.175 -3.426 12.847 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.959 -4.231 14.516 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.770 -4.387 12.300 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.479 -3.559 11.204 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.022 -2.585 11.163 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.087 -6.299 11.479 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.947 -6.313 13.253 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.462 -5.782 12.484 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.421 -3.655 9.002 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.920 -4.269 9.736 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.399 -5.258 9.776 1.00 0.00 H new ATOM 50 N THR A 4 -3.220 -2.328 13.944 1.00 0.00 N ATOM 51 CA THR A 4 -2.414 -1.121 14.108 1.00 0.00 C ATOM 52 C THR A 4 -2.880 -0.353 15.355 1.00 0.00 C ATOM 53 O THR A 4 -3.631 -0.886 16.172 1.00 0.00 O ATOM 54 CB THR A 4 -2.498 -0.222 12.850 1.00 0.00 C ATOM 55 OG1 THR A 4 -2.555 -1.039 11.672 1.00 0.00 O ATOM 56 CG2 THR A 4 -1.288 0.699 12.746 1.00 0.00 C ATOM 0 H THR A 4 -2.689 -3.197 14.008 1.00 0.00 H new ATOM 0 HA THR A 4 -1.372 -1.412 14.238 1.00 0.00 H new ATOM 0 HB THR A 4 -3.399 0.386 12.936 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.005 -0.547 10.954 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.377 1.317 11.853 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.241 1.339 13.627 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.379 0.100 12.684 1.00 0.00 H new ATOM 64 N SER A 5 -2.419 0.878 15.522 1.00 0.00 N ATOM 65 CA SER A 5 -2.860 1.709 16.631 1.00 0.00 C ATOM 66 C SER A 5 -4.257 2.270 16.358 1.00 0.00 C ATOM 67 O SER A 5 -4.902 2.803 17.262 1.00 0.00 O ATOM 68 CB SER A 5 -1.869 2.853 16.841 1.00 0.00 C ATOM 69 OG SER A 5 -0.532 2.381 16.776 1.00 0.00 O ATOM 0 H SER A 5 -1.740 1.323 14.904 1.00 0.00 H new ATOM 0 HA SER A 5 -2.903 1.098 17.533 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.026 3.620 16.082 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.047 3.321 17.809 1.00 0.00 H new ATOM 0 HG SER A 5 0.086 3.129 16.911 1.00 0.00 H new ATOM 75 N LYS A 6 -4.683 2.131 15.090 1.00 0.00 N ATOM 76 CA LYS A 6 -5.963 2.633 14.538 1.00 0.00 C ATOM 77 C LYS A 6 -6.122 4.157 14.649 1.00 0.00 C ATOM 78 O LYS A 6 -6.669 4.781 13.742 1.00 0.00 O ATOM 79 CB LYS A 6 -7.194 1.890 15.099 1.00 0.00 C ATOM 80 CG LYS A 6 -7.617 2.266 16.510 1.00 0.00 C ATOM 81 CD LYS A 6 -8.906 1.557 16.892 1.00 0.00 C ATOM 82 CE LYS A 6 -9.300 1.822 18.336 1.00 0.00 C ATOM 83 NZ LYS A 6 -9.519 3.267 18.609 1.00 0.00 N ATOM 0 H LYS A 6 -4.124 1.646 14.388 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.914 2.407 13.473 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.036 2.067 14.430 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.988 0.820 15.076 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.828 2.001 17.214 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.756 3.345 16.578 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.709 1.885 16.232 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.787 0.484 16.740 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.210 1.269 18.568 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.520 1.444 18.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.899 3.385 19.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.616 3.776 18.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.196 3.652 17.919 1.00 0.00 H new ATOM 97 N TYR A 7 -5.638 4.740 15.741 1.00 0.00 N ATOM 98 CA TYR A 7 -5.613 6.191 15.924 1.00 0.00 C ATOM 99 C TYR A 7 -7.020 6.781 15.974 1.00 0.00 C ATOM 100 O TYR A 7 -8.004 6.085 16.244 1.00 0.00 O ATOM 101 CB TYR A 7 -4.816 6.872 14.804 1.00 0.00 C ATOM 102 CG TYR A 7 -3.369 6.442 14.701 1.00 0.00 C ATOM 103 CD1 TYR A 7 -2.384 7.045 15.474 1.00 0.00 C ATOM 104 CD2 TYR A 7 -2.988 5.441 13.818 1.00 0.00 C ATOM 105 CE1 TYR A 7 -1.060 6.666 15.362 1.00 0.00 C ATOM 106 CE2 TYR A 7 -1.669 5.054 13.705 1.00 0.00 C ATOM 107 CZ TYR A 7 -0.709 5.667 14.480 1.00 0.00 C ATOM 108 OH TYR A 7 0.605 5.292 14.356 1.00 0.00 O ATOM 0 H TYR A 7 -5.250 4.220 16.528 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.125 6.379 16.881 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.309 6.670 13.853 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.849 7.951 14.958 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.658 7.822 16.173 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.737 4.957 13.209 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.304 7.150 15.963 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.390 4.274 13.012 1.00 0.00 H new ATOM 0 HH TYR A 7 0.802 4.574 14.993 1.00 0.00 H new ATOM 118 N THR A 8 -7.090 8.079 15.734 1.00 0.00 N ATOM 119 CA THR A 8 -8.340 8.808 15.722 1.00 0.00 C ATOM 120 C THR A 8 -9.004 8.731 14.350 1.00 0.00 C ATOM 121 O THR A 8 -8.406 9.103 13.338 1.00 0.00 O ATOM 122 CB THR A 8 -8.078 10.269 16.098 1.00 0.00 C ATOM 123 OG1 THR A 8 -6.795 10.658 15.590 1.00 0.00 O ATOM 124 CG2 THR A 8 -8.117 10.462 17.604 1.00 0.00 C ATOM 0 H THR A 8 -6.273 8.658 15.541 1.00 0.00 H new ATOM 0 HA THR A 8 -9.016 8.357 16.449 1.00 0.00 H new ATOM 0 HB THR A 8 -8.859 10.891 15.660 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.719 11.635 15.608 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.928 11.509 17.842 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.098 10.176 17.982 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.353 9.840 18.070 1.00 0.00 H new ATOM 132 N ASP A 9 -10.244 8.254 14.334 1.00 0.00 N ATOM 133 CA ASP A 9 -10.988 8.017 13.093 1.00 0.00 C ATOM 134 C ASP A 9 -11.008 9.243 12.190 1.00 0.00 C ATOM 135 O ASP A 9 -10.759 9.137 10.989 1.00 0.00 O ATOM 136 CB ASP A 9 -12.422 7.600 13.415 1.00 0.00 C ATOM 137 CG ASP A 9 -12.477 6.371 14.293 1.00 0.00 C ATOM 138 OD1 ASP A 9 -12.380 6.519 15.531 1.00 0.00 O ATOM 139 OD2 ASP A 9 -12.600 5.255 13.758 1.00 0.00 O ATOM 0 H ASP A 9 -10.765 8.019 15.179 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.476 7.217 12.558 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.935 8.423 13.913 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.959 7.405 12.487 1.00 0.00 H new ATOM 144 N GLU A 10 -11.296 10.402 12.774 1.00 0.00 N ATOM 145 CA GLU A 10 -11.377 11.641 12.011 1.00 0.00 C ATOM 146 C GLU A 10 -10.069 11.949 11.302 1.00 0.00 C ATOM 147 O GLU A 10 -10.053 12.121 10.084 1.00 0.00 O ATOM 148 CB GLU A 10 -11.774 12.806 12.914 1.00 0.00 C ATOM 149 CG GLU A 10 -13.272 12.954 13.063 1.00 0.00 C ATOM 150 CD GLU A 10 -13.941 13.231 11.734 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.913 14.397 11.284 1.00 0.00 O ATOM 152 OE2 GLU A 10 -14.492 12.290 11.124 1.00 0.00 O ATOM 0 H GLU A 10 -11.477 10.508 13.772 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.146 11.505 11.251 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.329 12.663 13.899 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.362 13.730 12.508 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.686 12.044 13.497 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.490 13.766 13.757 1.00 0.00 H new ATOM 159 N GLN A 11 -8.976 12.006 12.057 1.00 0.00 N ATOM 160 CA GLN A 11 -7.672 12.295 11.475 1.00 0.00 C ATOM 161 C GLN A 11 -7.345 11.317 10.356 1.00 0.00 C ATOM 162 O GLN A 11 -7.022 11.732 9.246 1.00 0.00 O ATOM 163 CB GLN A 11 -6.574 12.279 12.542 1.00 0.00 C ATOM 164 CG GLN A 11 -6.553 13.538 13.392 1.00 0.00 C ATOM 165 CD GLN A 11 -5.485 13.513 14.472 1.00 0.00 C ATOM 166 OE1 GLN A 11 -5.732 13.075 15.594 1.00 0.00 O ATOM 167 NE2 GLN A 11 -4.300 14.004 14.148 1.00 0.00 N ATOM 0 H GLN A 11 -8.968 11.857 13.066 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.716 13.298 11.050 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.716 11.413 13.189 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.605 12.159 12.057 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.388 14.401 12.747 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.529 13.670 13.858 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.135 14.358 13.206 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.551 14.029 14.840 1.00 0.00 H new ATOM 176 N VAL A 12 -7.469 10.026 10.637 1.00 0.00 N ATOM 177 CA VAL A 12 -7.154 8.991 9.657 1.00 0.00 C ATOM 178 C VAL A 12 -7.982 9.158 8.380 1.00 0.00 C ATOM 179 O VAL A 12 -7.441 9.208 7.273 1.00 0.00 O ATOM 180 CB VAL A 12 -7.405 7.580 10.231 1.00 0.00 C ATOM 181 CG1 VAL A 12 -7.059 6.506 9.210 1.00 0.00 C ATOM 182 CG2 VAL A 12 -6.613 7.370 11.510 1.00 0.00 C ATOM 0 H VAL A 12 -7.786 9.669 11.538 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.097 9.101 9.416 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.467 7.499 10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.245 5.522 9.640 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.677 6.636 8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.007 6.590 8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.805 6.369 11.897 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.549 7.480 11.301 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.916 8.110 12.251 1.00 0.00 H new ATOM 192 N GLU A 13 -9.294 9.262 8.548 1.00 0.00 N ATOM 193 CA GLU A 13 -10.217 9.305 7.422 1.00 0.00 C ATOM 194 C GLU A 13 -10.061 10.592 6.609 1.00 0.00 C ATOM 195 O GLU A 13 -10.124 10.569 5.381 1.00 0.00 O ATOM 196 CB GLU A 13 -11.654 9.163 7.927 1.00 0.00 C ATOM 197 CG GLU A 13 -12.694 9.122 6.822 1.00 0.00 C ATOM 198 CD GLU A 13 -14.081 8.836 7.354 1.00 0.00 C ATOM 199 OE1 GLU A 13 -14.711 9.761 7.905 1.00 0.00 O ATOM 200 OE2 GLU A 13 -14.538 7.680 7.238 1.00 0.00 O ATOM 0 H GLU A 13 -9.745 9.319 9.461 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.981 8.472 6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.732 8.251 8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.879 9.996 8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.699 10.076 6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.420 8.357 6.096 1.00 0.00 H new ATOM 207 N LYS A 14 -9.847 11.711 7.284 1.00 0.00 N ATOM 208 CA LYS A 14 -9.754 12.992 6.592 1.00 0.00 C ATOM 209 C LYS A 14 -8.393 13.149 5.914 1.00 0.00 C ATOM 210 O LYS A 14 -8.257 13.895 4.944 1.00 0.00 O ATOM 211 CB LYS A 14 -10.049 14.153 7.549 1.00 0.00 C ATOM 212 CG LYS A 14 -11.435 14.059 8.179 1.00 0.00 C ATOM 213 CD LYS A 14 -12.517 13.905 7.118 1.00 0.00 C ATOM 214 CE LYS A 14 -13.717 13.123 7.638 1.00 0.00 C ATOM 215 NZ LYS A 14 -14.461 13.850 8.700 1.00 0.00 N ATOM 0 H LYS A 14 -9.735 11.761 8.297 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.512 13.014 5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.296 14.169 8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.964 15.095 7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.469 13.210 8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.629 14.953 8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.843 14.891 6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.102 13.397 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.392 12.909 6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.378 12.164 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.158 13.212 9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.794 14.181 9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.952 14.667 8.283 1.00 0.00 H new ATOM 229 N ILE A 15 -7.391 12.431 6.414 1.00 0.00 N ATOM 230 CA ILE A 15 -6.119 12.330 5.712 1.00 0.00 C ATOM 231 C ILE A 15 -6.340 11.611 4.389 1.00 0.00 C ATOM 232 O ILE A 15 -5.889 12.066 3.336 1.00 0.00 O ATOM 233 CB ILE A 15 -5.050 11.575 6.538 1.00 0.00 C ATOM 234 CG1 ILE A 15 -4.609 12.411 7.740 1.00 0.00 C ATOM 235 CG2 ILE A 15 -3.848 11.219 5.673 1.00 0.00 C ATOM 236 CD1 ILE A 15 -3.621 11.705 8.641 1.00 0.00 C ATOM 0 H ILE A 15 -7.435 11.916 7.293 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.747 13.341 5.546 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.497 10.650 6.903 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.162 13.339 7.382 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.488 12.685 8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.110 10.689 6.276 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.169 10.582 4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.404 12.131 5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.354 12.359 9.471 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.071 10.791 9.029 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.725 11.455 8.073 1.00 0.00 H new ATOM 248 N LEU A 16 -7.069 10.498 4.455 1.00 0.00 N ATOM 249 CA LEU A 16 -7.436 9.742 3.264 1.00 0.00 C ATOM 250 C LEU A 16 -8.227 10.617 2.297 1.00 0.00 C ATOM 251 O LEU A 16 -8.062 10.521 1.083 1.00 0.00 O ATOM 252 CB LEU A 16 -8.273 8.521 3.645 1.00 0.00 C ATOM 253 CG LEU A 16 -7.525 7.424 4.399 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.495 6.368 4.904 1.00 0.00 C ATOM 255 CD2 LEU A 16 -6.474 6.793 3.500 1.00 0.00 C ATOM 0 H LEU A 16 -7.418 10.100 5.327 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.519 9.411 2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.111 8.853 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.693 8.092 2.736 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.026 7.871 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.944 5.594 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.218 6.830 5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.019 5.922 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.947 6.012 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.957 6.359 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.763 7.555 3.181 1.00 0.00 H new ATOM 267 N ALA A 17 -9.086 11.465 2.856 1.00 0.00 N ATOM 268 CA ALA A 17 -9.911 12.373 2.065 1.00 0.00 C ATOM 269 C ALA A 17 -9.055 13.260 1.171 1.00 0.00 C ATOM 270 O ALA A 17 -9.314 13.368 -0.029 1.00 0.00 O ATOM 271 CB ALA A 17 -10.791 13.220 2.974 1.00 0.00 C ATOM 0 H ALA A 17 -9.229 11.542 3.863 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.552 11.770 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.400 13.891 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.441 12.570 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.163 13.806 3.645 1.00 0.00 H new ATOM 277 N GLU A 18 -8.029 13.886 1.744 1.00 0.00 N ATOM 278 CA GLU A 18 -7.125 14.724 0.959 1.00 0.00 C ATOM 279 C GLU A 18 -6.360 13.892 -0.066 1.00 0.00 C ATOM 280 O GLU A 18 -6.208 14.305 -1.215 1.00 0.00 O ATOM 281 CB GLU A 18 -6.136 15.477 1.849 1.00 0.00 C ATOM 282 CG GLU A 18 -6.750 16.620 2.642 1.00 0.00 C ATOM 283 CD GLU A 18 -5.694 17.548 3.213 1.00 0.00 C ATOM 284 OE1 GLU A 18 -5.142 17.244 4.287 1.00 0.00 O ATOM 285 OE2 GLU A 18 -5.399 18.584 2.588 1.00 0.00 O ATOM 0 H GLU A 18 -7.804 13.830 2.737 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.743 15.454 0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.681 14.771 2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.334 15.873 1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.422 17.188 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.354 16.215 3.454 1.00 0.00 H new ATOM 292 N VAL A 19 -5.887 12.722 0.350 1.00 0.00 N ATOM 293 CA VAL A 19 -5.148 11.834 -0.546 1.00 0.00 C ATOM 294 C VAL A 19 -6.009 11.435 -1.743 1.00 0.00 C ATOM 295 O VAL A 19 -5.574 11.518 -2.894 1.00 0.00 O ATOM 296 CB VAL A 19 -4.663 10.560 0.185 1.00 0.00 C ATOM 297 CG1 VAL A 19 -3.964 9.612 -0.779 1.00 0.00 C ATOM 298 CG2 VAL A 19 -3.735 10.925 1.334 1.00 0.00 C ATOM 0 H VAL A 19 -6.001 12.365 1.299 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.275 12.386 -0.895 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.537 10.050 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.633 8.724 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.657 9.320 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.101 10.112 -1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.404 10.016 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.869 11.461 0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.266 11.559 2.044 1.00 0.00 H new ATOM 308 N ALA A 20 -7.243 11.024 -1.465 1.00 0.00 N ATOM 309 CA ALA A 20 -8.179 10.635 -2.511 1.00 0.00 C ATOM 310 C ALA A 20 -8.501 11.819 -3.414 1.00 0.00 C ATOM 311 O ALA A 20 -8.716 11.656 -4.613 1.00 0.00 O ATOM 312 CB ALA A 20 -9.453 10.067 -1.905 1.00 0.00 C ATOM 0 H ALA A 20 -7.618 10.952 -0.519 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.709 9.860 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.140 9.782 -2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.211 9.190 -1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.923 10.821 -1.273 1.00 0.00 H new ATOM 318 N LEU A 21 -8.519 13.012 -2.828 1.00 0.00 N ATOM 319 CA LEU A 21 -8.769 14.232 -3.581 1.00 0.00 C ATOM 320 C LEU A 21 -7.649 14.462 -4.592 1.00 0.00 C ATOM 321 O LEU A 21 -7.905 14.826 -5.737 1.00 0.00 O ATOM 322 CB LEU A 21 -8.902 15.426 -2.623 1.00 0.00 C ATOM 323 CG LEU A 21 -9.424 16.731 -3.237 1.00 0.00 C ATOM 324 CD1 LEU A 21 -10.063 17.590 -2.161 1.00 0.00 C ATOM 325 CD2 LEU A 21 -8.304 17.510 -3.915 1.00 0.00 C ATOM 0 H LEU A 21 -8.363 13.158 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.706 14.130 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.568 15.140 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.925 15.622 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.167 16.474 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.431 18.515 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.894 17.048 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.323 17.824 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.706 18.430 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.536 17.755 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.868 16.904 -4.709 1.00 0.00 H new ATOM 337 N VAL A 22 -6.410 14.229 -4.169 1.00 0.00 N ATOM 338 CA VAL A 22 -5.262 14.376 -5.055 1.00 0.00 C ATOM 339 C VAL A 22 -5.342 13.361 -6.195 1.00 0.00 C ATOM 340 O VAL A 22 -5.057 13.683 -7.352 1.00 0.00 O ATOM 341 CB VAL A 22 -3.926 14.201 -4.297 1.00 0.00 C ATOM 342 CG1 VAL A 22 -2.740 14.375 -5.234 1.00 0.00 C ATOM 343 CG2 VAL A 22 -3.832 15.184 -3.138 1.00 0.00 C ATOM 0 H VAL A 22 -6.176 13.938 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.290 15.387 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.899 13.188 -3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.813 14.247 -4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.791 13.630 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.765 15.373 -5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.884 15.044 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.889 16.203 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.655 15.009 -2.445 1.00 0.00 H new ATOM 353 N LEU A 23 -5.756 12.144 -5.861 1.00 0.00 N ATOM 354 CA LEU A 23 -5.920 11.089 -6.854 1.00 0.00 C ATOM 355 C LEU A 23 -7.012 11.461 -7.854 1.00 0.00 C ATOM 356 O LEU A 23 -6.834 11.323 -9.065 1.00 0.00 O ATOM 357 CB LEU A 23 -6.266 9.761 -6.173 1.00 0.00 C ATOM 358 CG LEU A 23 -5.262 9.284 -5.119 1.00 0.00 C ATOM 359 CD1 LEU A 23 -5.703 7.959 -4.518 1.00 0.00 C ATOM 360 CD2 LEU A 23 -3.868 9.164 -5.718 1.00 0.00 C ATOM 0 H LEU A 23 -5.985 11.863 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.977 10.975 -7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.244 9.857 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.356 8.991 -6.940 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.228 10.026 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.976 7.638 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.678 8.080 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.771 7.208 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.171 8.824 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.885 8.446 -6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.548 10.136 -6.094 1.00 0.00 H new ATOM 372 N GLU A 24 -8.138 11.939 -7.329 1.00 0.00 N ATOM 373 CA GLU A 24 -9.253 12.392 -8.153 1.00 0.00 C ATOM 374 C GLU A 24 -8.826 13.550 -9.048 1.00 0.00 C ATOM 375 O GLU A 24 -9.076 13.547 -10.253 1.00 0.00 O ATOM 376 CB GLU A 24 -10.417 12.836 -7.262 1.00 0.00 C ATOM 377 CG GLU A 24 -11.604 13.381 -8.035 1.00 0.00 C ATOM 378 CD GLU A 24 -12.647 14.007 -7.135 1.00 0.00 C ATOM 379 OE1 GLU A 24 -12.507 15.202 -6.797 1.00 0.00 O ATOM 380 OE2 GLU A 24 -13.621 13.318 -6.771 1.00 0.00 O ATOM 0 H GLU A 24 -8.302 12.022 -6.326 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.573 11.561 -8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.745 11.989 -6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.063 13.601 -6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.255 14.124 -8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.061 12.574 -8.608 1.00 0.00 H new ATOM 387 N LYS A 25 -8.170 14.528 -8.439 1.00 0.00 N ATOM 388 CA LYS A 25 -7.734 15.736 -9.128 1.00 0.00 C ATOM 389 C LYS A 25 -6.840 15.409 -10.323 1.00 0.00 C ATOM 390 O LYS A 25 -6.968 16.011 -11.391 1.00 0.00 O ATOM 391 CB LYS A 25 -6.985 16.634 -8.143 1.00 0.00 C ATOM 392 CG LYS A 25 -6.578 17.978 -8.713 1.00 0.00 C ATOM 393 CD LYS A 25 -5.934 18.855 -7.652 1.00 0.00 C ATOM 394 CE LYS A 25 -5.656 20.249 -8.182 1.00 0.00 C ATOM 395 NZ LYS A 25 -6.893 20.888 -8.699 1.00 0.00 N ATOM 0 H LYS A 25 -7.924 14.506 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.615 16.253 -9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.614 16.798 -7.268 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.092 16.112 -7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.881 17.830 -9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.453 18.482 -9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.589 18.918 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.003 18.399 -7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.231 20.864 -7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.912 20.196 -8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.896 21.896 -8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.926 20.794 -9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.724 20.422 -8.283 1.00 0.00 H new ATOM 409 N HIS A 26 -5.943 14.449 -10.147 1.00 0.00 N ATOM 410 CA HIS A 26 -5.009 14.086 -11.207 1.00 0.00 C ATOM 411 C HIS A 26 -5.565 12.961 -12.074 1.00 0.00 C ATOM 412 O HIS A 26 -4.890 12.503 -12.994 1.00 0.00 O ATOM 413 CB HIS A 26 -3.655 13.677 -10.622 1.00 0.00 C ATOM 414 CG HIS A 26 -2.851 14.822 -10.086 1.00 0.00 C ATOM 415 ND1 HIS A 26 -1.909 15.494 -10.831 1.00 0.00 N ATOM 416 CD2 HIS A 26 -2.833 15.398 -8.860 1.00 0.00 C ATOM 417 CE1 HIS A 26 -1.344 16.426 -10.088 1.00 0.00 C ATOM 418 NE2 HIS A 26 -1.887 16.389 -8.887 1.00 0.00 N ATOM 0 H HIS A 26 -5.841 13.910 -9.287 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.869 14.965 -11.836 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.820 12.956 -9.821 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.076 13.170 -11.394 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.450 15.126 -8.017 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.568 17.105 -10.409 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -1.643 16.998 -8.106 1.00 0.00 H new ATOM 427 N ALA A 27 -6.796 12.535 -11.776 1.00 0.00 N ATOM 428 CA ALA A 27 -7.463 11.465 -12.523 1.00 0.00 C ATOM 429 C ALA A 27 -6.601 10.205 -12.566 1.00 0.00 C ATOM 430 O ALA A 27 -6.429 9.587 -13.620 1.00 0.00 O ATOM 431 CB ALA A 27 -7.807 11.935 -13.932 1.00 0.00 C ATOM 0 H ALA A 27 -7.355 12.920 -11.015 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.390 11.216 -12.006 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.302 11.129 -14.474 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.472 12.796 -13.876 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.893 12.216 -14.455 1.00 0.00 H new ATOM 437 N ALA A 28 -6.078 9.827 -11.408 1.00 0.00 N ATOM 438 CA ALA A 28 -5.171 8.690 -11.304 1.00 0.00 C ATOM 439 C ALA A 28 -5.872 7.374 -11.627 1.00 0.00 C ATOM 440 O ALA A 28 -6.906 7.046 -11.045 1.00 0.00 O ATOM 441 CB ALA A 28 -4.560 8.632 -9.912 1.00 0.00 C ATOM 0 H ALA A 28 -6.267 10.294 -10.521 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.379 8.831 -12.040 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.885 7.779 -9.846 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.005 9.550 -9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.352 8.525 -9.171 1.00 0.00 H new ATOM 447 N SER A 29 -5.300 6.635 -12.570 1.00 0.00 N ATOM 448 CA SER A 29 -5.802 5.319 -12.945 1.00 0.00 C ATOM 449 C SER A 29 -5.676 4.340 -11.769 1.00 0.00 C ATOM 450 O SER A 29 -4.904 4.585 -10.842 1.00 0.00 O ATOM 451 CB SER A 29 -5.012 4.816 -14.154 1.00 0.00 C ATOM 452 OG SER A 29 -4.958 5.805 -15.169 1.00 0.00 O ATOM 0 H SER A 29 -4.477 6.930 -13.095 1.00 0.00 H new ATOM 0 HA SER A 29 -6.858 5.390 -13.206 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.001 4.548 -13.847 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.476 3.911 -14.546 1.00 0.00 H new ATOM 0 HG SER A 29 -4.447 5.463 -15.932 1.00 0.00 H new ATOM 458 N PRO A 30 -6.441 3.230 -11.782 1.00 0.00 N ATOM 459 CA PRO A 30 -6.463 2.258 -10.674 1.00 0.00 C ATOM 460 C PRO A 30 -5.076 1.765 -10.250 1.00 0.00 C ATOM 461 O PRO A 30 -4.705 1.892 -9.083 1.00 0.00 O ATOM 462 CB PRO A 30 -7.295 1.104 -11.224 1.00 0.00 C ATOM 463 CG PRO A 30 -8.176 1.732 -12.248 1.00 0.00 C ATOM 464 CD PRO A 30 -7.367 2.839 -12.864 1.00 0.00 C ATOM 0 HA PRO A 30 -6.869 2.712 -9.770 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.662 0.333 -11.664 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.879 0.626 -10.438 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.480 1.005 -13.001 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.088 2.120 -11.794 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.830 2.499 -13.749 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.997 3.672 -13.174 1.00 0.00 H new ATOM 472 N GLU A 31 -4.308 1.201 -11.181 1.00 0.00 N ATOM 473 CA GLU A 31 -2.977 0.703 -10.843 1.00 0.00 C ATOM 474 C GLU A 31 -2.049 1.855 -10.476 1.00 0.00 C ATOM 475 O GLU A 31 -1.197 1.712 -9.605 1.00 0.00 O ATOM 476 CB GLU A 31 -2.368 -0.138 -11.972 1.00 0.00 C ATOM 477 CG GLU A 31 -0.979 -0.666 -11.632 1.00 0.00 C ATOM 478 CD GLU A 31 -0.474 -1.718 -12.596 1.00 0.00 C ATOM 479 OE1 GLU A 31 0.110 -1.353 -13.637 1.00 0.00 O ATOM 480 OE2 GLU A 31 -0.624 -2.922 -12.291 1.00 0.00 O ATOM 0 H GLU A 31 -4.578 1.079 -12.157 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.090 0.050 -9.978 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.028 -0.978 -12.190 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.311 0.465 -12.878 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.277 0.168 -11.618 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.996 -1.086 -10.626 1.00 0.00 H new ATOM 487 N LEU A 32 -2.225 3.001 -11.126 1.00 0.00 N ATOM 488 CA LEU A 32 -1.470 4.199 -10.769 1.00 0.00 C ATOM 489 C LEU A 32 -1.758 4.584 -9.319 1.00 0.00 C ATOM 490 O LEU A 32 -0.861 4.970 -8.574 1.00 0.00 O ATOM 491 CB LEU A 32 -1.810 5.359 -11.712 1.00 0.00 C ATOM 492 CG LEU A 32 -1.117 6.691 -11.391 1.00 0.00 C ATOM 493 CD1 LEU A 32 0.394 6.519 -11.356 1.00 0.00 C ATOM 494 CD2 LEU A 32 -1.502 7.744 -12.414 1.00 0.00 C ATOM 0 H LEU A 32 -2.879 3.126 -11.898 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.407 3.983 -10.872 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.547 5.068 -12.729 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.888 5.516 -11.694 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.447 7.020 -10.406 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.864 7.475 -11.127 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.660 5.791 -10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.743 6.167 -12.327 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.004 8.683 -12.174 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.197 7.415 -13.407 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.582 7.891 -12.396 1.00 0.00 H new ATOM 506 N THR A 33 -3.014 4.453 -8.930 1.00 0.00 N ATOM 507 CA THR A 33 -3.431 4.665 -7.554 1.00 0.00 C ATOM 508 C THR A 33 -2.683 3.721 -6.607 1.00 0.00 C ATOM 509 O THR A 33 -2.144 4.138 -5.580 1.00 0.00 O ATOM 510 CB THR A 33 -4.949 4.428 -7.429 1.00 0.00 C ATOM 511 OG1 THR A 33 -5.665 5.427 -8.167 1.00 0.00 O ATOM 512 CG2 THR A 33 -5.405 4.422 -5.980 1.00 0.00 C ATOM 0 H THR A 33 -3.775 4.196 -9.559 1.00 0.00 H new ATOM 0 HA THR A 33 -3.196 5.692 -7.276 1.00 0.00 H new ATOM 0 HB THR A 33 -5.164 3.444 -7.845 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.517 5.294 -9.127 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.481 4.252 -5.938 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.891 3.627 -5.440 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.171 5.383 -5.521 1.00 0.00 H new ATOM 520 N LEU A 34 -2.631 2.451 -6.983 1.00 0.00 N ATOM 521 CA LEU A 34 -2.062 1.422 -6.131 1.00 0.00 C ATOM 522 C LEU A 34 -0.532 1.503 -6.099 1.00 0.00 C ATOM 523 O LEU A 34 0.085 1.283 -5.057 1.00 0.00 O ATOM 524 CB LEU A 34 -2.541 0.046 -6.603 1.00 0.00 C ATOM 525 CG LEU A 34 -2.171 -1.122 -5.694 1.00 0.00 C ATOM 526 CD1 LEU A 34 -3.318 -2.115 -5.611 1.00 0.00 C ATOM 527 CD2 LEU A 34 -0.917 -1.814 -6.205 1.00 0.00 C ATOM 0 H LEU A 34 -2.979 2.109 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.405 1.582 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.626 0.074 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.130 -0.143 -7.595 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.974 -0.732 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.037 -2.942 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.201 -1.618 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.540 -2.498 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.666 -2.645 -5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.094 -2.191 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.091 -1.103 -6.223 1.00 0.00 H new ATOM 539 N MET A 35 0.080 1.833 -7.233 1.00 0.00 N ATOM 540 CA MET A 35 1.533 1.970 -7.298 1.00 0.00 C ATOM 541 C MET A 35 1.985 3.154 -6.448 1.00 0.00 C ATOM 542 O MET A 35 3.056 3.124 -5.847 1.00 0.00 O ATOM 543 CB MET A 35 2.016 2.109 -8.755 1.00 0.00 C ATOM 544 CG MET A 35 1.600 3.402 -9.444 1.00 0.00 C ATOM 545 SD MET A 35 2.817 4.722 -9.275 1.00 0.00 S ATOM 546 CE MET A 35 4.075 4.152 -10.416 1.00 0.00 C ATOM 0 H MET A 35 -0.403 2.010 -8.114 1.00 0.00 H new ATOM 0 HA MET A 35 1.985 1.064 -6.895 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.104 2.039 -8.771 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.634 1.267 -9.332 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.433 3.204 -10.503 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.650 3.738 -9.029 1.00 0.00 H new ATOM 0 HE1 MET A 35 4.765 4.967 -10.634 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.623 3.322 -9.969 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.604 3.819 -11.341 1.00 0.00 H new ATOM 556 N ILE A 36 1.142 4.181 -6.374 1.00 0.00 N ATOM 557 CA ILE A 36 1.404 5.327 -5.517 1.00 0.00 C ATOM 558 C ILE A 36 1.382 4.911 -4.051 1.00 0.00 C ATOM 559 O ILE A 36 2.239 5.325 -3.269 1.00 0.00 O ATOM 560 CB ILE A 36 0.392 6.468 -5.783 1.00 0.00 C ATOM 561 CG1 ILE A 36 0.756 7.174 -7.093 1.00 0.00 C ATOM 562 CG2 ILE A 36 0.346 7.455 -4.622 1.00 0.00 C ATOM 563 CD1 ILE A 36 -0.165 8.315 -7.458 1.00 0.00 C ATOM 0 H ILE A 36 0.270 4.240 -6.900 1.00 0.00 H new ATOM 0 HA ILE A 36 2.398 5.706 -5.753 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.605 6.038 -5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.775 7.554 -7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.748 6.443 -7.901 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.374 8.243 -4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.047 6.934 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.333 7.895 -4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.162 8.760 -8.398 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.182 7.940 -7.569 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.140 9.069 -6.671 1.00 0.00 H new ATOM 575 N ALA A 37 0.419 4.067 -3.691 1.00 0.00 N ATOM 576 CA ALA A 37 0.369 3.502 -2.348 1.00 0.00 C ATOM 577 C ALA A 37 1.645 2.718 -2.061 1.00 0.00 C ATOM 578 O ALA A 37 2.183 2.766 -0.954 1.00 0.00 O ATOM 579 CB ALA A 37 -0.853 2.609 -2.187 1.00 0.00 C ATOM 0 H ALA A 37 -0.333 3.761 -4.308 1.00 0.00 H new ATOM 0 HA ALA A 37 0.291 4.318 -1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.872 2.197 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.756 3.195 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.807 1.795 -2.910 1.00 0.00 H new ATOM 585 N GLY A 38 2.128 2.007 -3.076 1.00 0.00 N ATOM 586 CA GLY A 38 3.375 1.282 -2.953 1.00 0.00 C ATOM 587 C GLY A 38 4.550 2.211 -2.730 1.00 0.00 C ATOM 588 O GLY A 38 5.397 1.953 -1.875 1.00 0.00 O ATOM 0 H GLY A 38 1.673 1.922 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.306 0.579 -2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.543 0.694 -3.855 1.00 0.00 H new ATOM 592 N ASN A 39 4.590 3.299 -3.489 1.00 0.00 N ATOM 593 CA ASN A 39 5.632 4.312 -3.341 1.00 0.00 C ATOM 594 C ASN A 39 5.634 4.873 -1.925 1.00 0.00 C ATOM 595 O ASN A 39 6.694 5.089 -1.333 1.00 0.00 O ATOM 596 CB ASN A 39 5.428 5.449 -4.348 1.00 0.00 C ATOM 597 CG ASN A 39 5.598 5.006 -5.788 1.00 0.00 C ATOM 598 OD1 ASN A 39 6.380 4.107 -6.089 1.00 0.00 O ATOM 599 ND2 ASN A 39 4.860 5.637 -6.688 1.00 0.00 N ATOM 0 H ASN A 39 3.908 3.505 -4.219 1.00 0.00 H new ATOM 0 HA ASN A 39 6.594 3.838 -3.536 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.430 5.867 -4.218 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.138 6.248 -4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.929 5.382 -7.673 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.223 6.378 -6.396 1.00 0.00 H new ATOM 606 N ILE A 40 4.439 5.097 -1.385 1.00 0.00 N ATOM 607 CA ILE A 40 4.292 5.579 -0.018 1.00 0.00 C ATOM 608 C ILE A 40 4.928 4.602 0.963 1.00 0.00 C ATOM 609 O ILE A 40 5.790 4.984 1.757 1.00 0.00 O ATOM 610 CB ILE A 40 2.808 5.791 0.359 1.00 0.00 C ATOM 611 CG1 ILE A 40 2.173 6.847 -0.552 1.00 0.00 C ATOM 612 CG2 ILE A 40 2.679 6.199 1.821 1.00 0.00 C ATOM 613 CD1 ILE A 40 0.697 7.063 -0.297 1.00 0.00 C ATOM 0 H ILE A 40 3.557 4.951 -1.876 1.00 0.00 H new ATOM 0 HA ILE A 40 4.801 6.541 0.040 1.00 0.00 H new ATOM 0 HB ILE A 40 2.278 4.849 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.698 7.793 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.313 6.549 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.627 6.344 2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.096 5.417 2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.222 7.129 1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.317 7.824 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.159 6.129 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.550 7.392 0.732 1.00 0.00 H new ATOM 625 N ALA A 41 4.521 3.335 0.890 1.00 0.00 N ATOM 626 CA ALA A 41 5.064 2.307 1.765 1.00 0.00 C ATOM 627 C ALA A 41 6.574 2.187 1.592 1.00 0.00 C ATOM 628 O ALA A 41 7.305 2.031 2.566 1.00 0.00 O ATOM 629 CB ALA A 41 4.386 0.974 1.495 1.00 0.00 C ATOM 0 H ALA A 41 3.817 3.000 0.232 1.00 0.00 H new ATOM 0 HA ALA A 41 4.866 2.595 2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.802 0.214 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.315 1.067 1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.554 0.684 0.458 1.00 0.00 H new ATOM 635 N THR A 42 7.031 2.289 0.347 1.00 0.00 N ATOM 636 CA THR A 42 8.453 2.222 0.034 1.00 0.00 C ATOM 637 C THR A 42 9.233 3.302 0.786 1.00 0.00 C ATOM 638 O THR A 42 10.252 3.017 1.416 1.00 0.00 O ATOM 639 CB THR A 42 8.692 2.374 -1.486 1.00 0.00 C ATOM 640 OG1 THR A 42 7.992 1.345 -2.196 1.00 0.00 O ATOM 641 CG2 THR A 42 10.174 2.300 -1.824 1.00 0.00 C ATOM 0 H THR A 42 6.430 2.419 -0.467 1.00 0.00 H new ATOM 0 HA THR A 42 8.811 1.243 0.353 1.00 0.00 H new ATOM 0 HB THR A 42 8.318 3.353 -1.786 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.046 1.588 -2.275 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.308 2.410 -2.900 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.705 3.100 -1.308 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.572 1.336 -1.506 1.00 0.00 H new ATOM 649 N ASN A 43 8.740 4.537 0.732 1.00 0.00 N ATOM 650 CA ASN A 43 9.396 5.646 1.416 1.00 0.00 C ATOM 651 C ASN A 43 9.404 5.402 2.923 1.00 0.00 C ATOM 652 O ASN A 43 10.424 5.587 3.586 1.00 0.00 O ATOM 653 CB ASN A 43 8.703 6.975 1.081 1.00 0.00 C ATOM 654 CG ASN A 43 9.484 8.197 1.548 1.00 0.00 C ATOM 655 OD1 ASN A 43 10.158 8.173 2.577 1.00 0.00 O ATOM 656 ND2 ASN A 43 9.420 9.271 0.777 1.00 0.00 N ATOM 0 H ASN A 43 7.893 4.793 0.224 1.00 0.00 H new ATOM 0 HA ASN A 43 10.428 5.709 1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.555 7.038 0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.714 6.987 1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.939 10.112 1.030 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.852 9.258 -0.070 1.00 0.00 H new ATOM 663 N VAL A 44 8.270 4.952 3.451 1.00 0.00 N ATOM 664 CA VAL A 44 8.164 4.635 4.872 1.00 0.00 C ATOM 665 C VAL A 44 9.171 3.559 5.261 1.00 0.00 C ATOM 666 O VAL A 44 9.918 3.712 6.228 1.00 0.00 O ATOM 667 CB VAL A 44 6.747 4.151 5.248 1.00 0.00 C ATOM 668 CG1 VAL A 44 6.656 3.851 6.736 1.00 0.00 C ATOM 669 CG2 VAL A 44 5.703 5.178 4.848 1.00 0.00 C ATOM 0 H VAL A 44 7.414 4.799 2.919 1.00 0.00 H new ATOM 0 HA VAL A 44 8.376 5.555 5.416 1.00 0.00 H new ATOM 0 HB VAL A 44 6.549 3.230 4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.649 3.512 6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.373 3.072 6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.881 4.754 7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.712 4.816 5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.901 6.118 5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.745 5.339 3.771 1.00 0.00 H new ATOM 679 N LEU A 45 9.205 2.486 4.484 1.00 0.00 N ATOM 680 CA LEU A 45 10.072 1.351 4.768 1.00 0.00 C ATOM 681 C LEU A 45 11.544 1.708 4.614 1.00 0.00 C ATOM 682 O LEU A 45 12.412 1.011 5.134 1.00 0.00 O ATOM 683 CB LEU A 45 9.732 0.175 3.848 1.00 0.00 C ATOM 684 CG LEU A 45 8.329 -0.404 4.013 1.00 0.00 C ATOM 685 CD1 LEU A 45 8.100 -1.526 3.013 1.00 0.00 C ATOM 686 CD2 LEU A 45 8.127 -0.906 5.432 1.00 0.00 C ATOM 0 H LEU A 45 8.636 2.377 3.644 1.00 0.00 H new ATOM 0 HA LEU A 45 9.899 1.066 5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.854 0.498 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.457 -0.620 4.021 1.00 0.00 H new ATOM 0 HG LEU A 45 7.602 0.385 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.096 -1.929 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.208 -1.138 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.832 -2.316 3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.122 -1.316 5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.859 -1.683 5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.254 -0.080 6.132 1.00 0.00 H new ATOM 698 N ASN A 46 11.837 2.778 3.896 1.00 0.00 N ATOM 699 CA ASN A 46 13.221 3.164 3.668 1.00 0.00 C ATOM 700 C ASN A 46 13.675 4.280 4.610 1.00 0.00 C ATOM 701 O ASN A 46 14.787 4.225 5.142 1.00 0.00 O ATOM 702 CB ASN A 46 13.442 3.573 2.208 1.00 0.00 C ATOM 703 CG ASN A 46 13.386 2.387 1.261 1.00 0.00 C ATOM 704 OD1 ASN A 46 13.688 1.258 1.644 1.00 0.00 O ATOM 705 ND2 ASN A 46 13.008 2.634 0.014 1.00 0.00 N ATOM 0 H ASN A 46 11.145 3.390 3.464 1.00 0.00 H new ATOM 0 HA ASN A 46 13.832 2.288 3.884 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.685 4.302 1.919 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.410 4.065 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.960 1.874 -0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.765 3.584 -0.267 1.00 0.00 H new ATOM 712 N GLN A 47 12.830 5.282 4.836 1.00 0.00 N ATOM 713 CA GLN A 47 13.259 6.460 5.591 1.00 0.00 C ATOM 714 C GLN A 47 12.477 6.665 6.892 1.00 0.00 C ATOM 715 O GLN A 47 12.882 7.472 7.731 1.00 0.00 O ATOM 716 CB GLN A 47 13.114 7.724 4.740 1.00 0.00 C ATOM 717 CG GLN A 47 13.736 7.627 3.359 1.00 0.00 C ATOM 718 CD GLN A 47 13.766 8.963 2.643 1.00 0.00 C ATOM 719 OE1 GLN A 47 14.753 9.695 2.708 1.00 0.00 O ATOM 720 NE2 GLN A 47 12.668 9.307 1.989 1.00 0.00 N ATOM 0 H GLN A 47 11.862 5.306 4.515 1.00 0.00 H new ATOM 0 HA GLN A 47 14.303 6.280 5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.054 7.955 4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.569 8.559 5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.752 7.242 3.447 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.175 6.910 2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.871 8.671 1.959 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.618 10.209 1.514 1.00 0.00 H new ATOM 729 N ARG A 48 11.364 5.967 7.072 1.00 0.00 N ATOM 730 CA ARG A 48 10.480 6.265 8.202 1.00 0.00 C ATOM 731 C ARG A 48 10.315 5.077 9.145 1.00 0.00 C ATOM 732 O ARG A 48 9.438 5.090 10.011 1.00 0.00 O ATOM 733 CB ARG A 48 9.104 6.712 7.701 1.00 0.00 C ATOM 734 CG ARG A 48 9.133 7.935 6.791 1.00 0.00 C ATOM 735 CD ARG A 48 9.780 9.139 7.464 1.00 0.00 C ATOM 736 NE ARG A 48 9.108 9.515 8.711 1.00 0.00 N ATOM 737 CZ ARG A 48 8.747 10.765 9.012 1.00 0.00 C ATOM 738 NH1 ARG A 48 8.925 11.743 8.131 1.00 0.00 N ATOM 739 NH2 ARG A 48 8.204 11.036 10.193 1.00 0.00 N ATOM 0 H ARG A 48 11.052 5.206 6.468 1.00 0.00 H new ATOM 0 HA ARG A 48 10.952 7.072 8.763 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.640 5.885 7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.470 6.929 8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.679 7.694 5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.115 8.190 6.495 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.826 8.916 7.672 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.765 9.986 6.778 1.00 0.00 H new ATOM 0 HE ARG A 48 8.904 8.780 9.388 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.339 11.541 7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.648 12.696 8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.062 10.289 10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.929 11.991 10.421 1.00 0.00 H new ATOM 753 N VAL A 49 11.155 4.065 9.002 1.00 0.00 N ATOM 754 CA VAL A 49 11.060 2.888 9.851 1.00 0.00 C ATOM 755 C VAL A 49 12.450 2.417 10.272 1.00 0.00 C ATOM 756 O VAL A 49 13.454 2.796 9.665 1.00 0.00 O ATOM 757 CB VAL A 49 10.302 1.736 9.143 1.00 0.00 C ATOM 758 CG1 VAL A 49 11.175 1.061 8.097 1.00 0.00 C ATOM 759 CG2 VAL A 49 9.778 0.722 10.150 1.00 0.00 C ATOM 0 H VAL A 49 11.905 4.034 8.312 1.00 0.00 H new ATOM 0 HA VAL A 49 10.495 3.170 10.739 1.00 0.00 H new ATOM 0 HB VAL A 49 9.445 2.173 8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.615 0.258 7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.474 1.792 7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.063 0.649 8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.251 -0.074 9.624 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.613 0.298 10.707 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.094 1.215 10.841 1.00 0.00 H new ATOM 769 N ALA A 50 12.497 1.607 11.321 1.00 0.00 N ATOM 770 CA ALA A 50 13.751 1.061 11.812 1.00 0.00 C ATOM 771 C ALA A 50 14.252 -0.043 10.891 1.00 0.00 C ATOM 772 O ALA A 50 13.465 -0.842 10.395 1.00 0.00 O ATOM 773 CB ALA A 50 13.576 0.529 13.229 1.00 0.00 C ATOM 0 H ALA A 50 11.675 1.313 11.849 1.00 0.00 H new ATOM 0 HA ALA A 50 14.493 1.860 11.827 1.00 0.00 H new ATOM 0 HB1 ALA A 50 14.523 0.123 13.585 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.259 1.340 13.885 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.820 -0.257 13.232 1.00 0.00 H new ATOM 779 N ALA A 51 15.557 -0.067 10.656 1.00 0.00 N ATOM 780 CA ALA A 51 16.182 -1.097 9.829 1.00 0.00 C ATOM 781 C ALA A 51 15.825 -2.502 10.309 1.00 0.00 C ATOM 782 O ALA A 51 15.500 -3.373 9.505 1.00 0.00 O ATOM 783 CB ALA A 51 17.692 -0.915 9.822 1.00 0.00 C ATOM 0 H ALA A 51 16.211 0.621 11.029 1.00 0.00 H new ATOM 0 HA ALA A 51 15.798 -0.986 8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 51 18.149 -1.687 9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 51 17.938 0.067 9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 51 18.073 -0.994 10.840 1.00 0.00 H new ATOM 789 N SER A 52 15.882 -2.708 11.618 1.00 0.00 N ATOM 790 CA SER A 52 15.544 -3.996 12.211 1.00 0.00 C ATOM 791 C SER A 52 14.074 -4.334 11.994 1.00 0.00 C ATOM 792 O SER A 52 13.684 -5.500 11.965 1.00 0.00 O ATOM 793 CB SER A 52 15.842 -3.966 13.707 1.00 0.00 C ATOM 794 OG SER A 52 17.197 -3.623 13.944 1.00 0.00 O ATOM 0 H SER A 52 16.161 -1.996 12.293 1.00 0.00 H new ATOM 0 HA SER A 52 16.148 -4.762 11.726 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.188 -3.245 14.198 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.627 -4.941 14.145 1.00 0.00 H new ATOM 0 HG SER A 52 17.367 -3.608 14.909 1.00 0.00 H new ATOM 800 N GLN A 53 13.268 -3.301 11.818 1.00 0.00 N ATOM 801 CA GLN A 53 11.828 -3.460 11.740 1.00 0.00 C ATOM 802 C GLN A 53 11.359 -3.368 10.298 1.00 0.00 C ATOM 803 O GLN A 53 10.171 -3.480 10.016 1.00 0.00 O ATOM 804 CB GLN A 53 11.152 -2.367 12.570 1.00 0.00 C ATOM 805 CG GLN A 53 9.957 -2.856 13.371 1.00 0.00 C ATOM 806 CD GLN A 53 10.359 -3.821 14.475 1.00 0.00 C ATOM 807 OE1 GLN A 53 11.337 -4.557 14.357 1.00 0.00 O ATOM 808 NE2 GLN A 53 9.618 -3.818 15.565 1.00 0.00 N ATOM 0 H GLN A 53 13.590 -2.338 11.726 1.00 0.00 H new ATOM 0 HA GLN A 53 11.560 -4.441 12.131 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.884 -1.937 13.253 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.829 -1.566 11.905 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.441 -2.001 13.809 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.250 -3.347 12.702 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.813 -3.196 15.633 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.850 -4.438 16.341 1.00 0.00 H new ATOM 817 N ARG A 54 12.312 -3.194 9.395 1.00 0.00 N ATOM 818 CA ARG A 54 12.022 -2.847 8.010 1.00 0.00 C ATOM 819 C ARG A 54 11.173 -3.911 7.317 1.00 0.00 C ATOM 820 O ARG A 54 10.018 -3.666 6.971 1.00 0.00 O ATOM 821 CB ARG A 54 13.334 -2.634 7.247 1.00 0.00 C ATOM 822 CG ARG A 54 13.179 -1.809 5.985 1.00 0.00 C ATOM 823 CD ARG A 54 14.511 -1.600 5.276 1.00 0.00 C ATOM 824 NE ARG A 54 15.555 -1.066 6.164 1.00 0.00 N ATOM 825 CZ ARG A 54 15.807 0.240 6.330 1.00 0.00 C ATOM 826 NH1 ARG A 54 14.979 1.151 5.841 1.00 0.00 N ATOM 827 NH2 ARG A 54 16.862 0.637 7.026 1.00 0.00 N ATOM 0 H ARG A 54 13.307 -3.289 9.600 1.00 0.00 H new ATOM 0 HA ARG A 54 11.443 -1.924 8.011 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.051 -2.143 7.905 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.754 -3.605 6.986 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.482 -2.306 5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.745 -0.841 6.235 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.847 -2.549 4.858 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.368 -0.916 4.439 1.00 0.00 H new ATOM 0 HE ARG A 54 16.124 -1.732 6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.143 0.861 5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.178 2.143 5.971 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.489 -0.053 7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.047 1.633 7.148 1.00 0.00 H new ATOM 841 N LYS A 55 11.737 -5.093 7.118 1.00 0.00 N ATOM 842 CA LYS A 55 11.025 -6.144 6.403 1.00 0.00 C ATOM 843 C LYS A 55 9.983 -6.792 7.307 1.00 0.00 C ATOM 844 O LYS A 55 9.007 -7.367 6.826 1.00 0.00 O ATOM 845 CB LYS A 55 11.998 -7.195 5.857 1.00 0.00 C ATOM 846 CG LYS A 55 11.358 -8.160 4.870 1.00 0.00 C ATOM 847 CD LYS A 55 12.403 -9.013 4.169 1.00 0.00 C ATOM 848 CE LYS A 55 11.777 -9.949 3.144 1.00 0.00 C ATOM 849 NZ LYS A 55 10.974 -11.030 3.779 1.00 0.00 N ATOM 0 H LYS A 55 12.672 -5.347 7.436 1.00 0.00 H new ATOM 0 HA LYS A 55 10.512 -5.690 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.831 -6.689 5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.413 -7.762 6.690 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.653 -8.805 5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.787 -7.600 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.128 -8.366 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.950 -9.598 4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.140 -9.374 2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.563 -10.394 2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.954 -11.861 3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.403 -11.292 4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.003 -10.693 3.938 1.00 0.00 H new ATOM 863 N LEU A 56 10.187 -6.678 8.615 1.00 0.00 N ATOM 864 CA LEU A 56 9.229 -7.193 9.587 1.00 0.00 C ATOM 865 C LEU A 56 7.902 -6.455 9.430 1.00 0.00 C ATOM 866 O LEU A 56 6.852 -7.068 9.237 1.00 0.00 O ATOM 867 CB LEU A 56 9.770 -7.009 11.016 1.00 0.00 C ATOM 868 CG LEU A 56 9.201 -7.953 12.094 1.00 0.00 C ATOM 869 CD1 LEU A 56 9.838 -7.654 13.440 1.00 0.00 C ATOM 870 CD2 LEU A 56 7.683 -7.854 12.206 1.00 0.00 C ATOM 0 H LEU A 56 11.007 -6.233 9.027 1.00 0.00 H new ATOM 0 HA LEU A 56 9.074 -8.257 9.410 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.852 -7.134 10.990 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.575 -5.982 11.325 1.00 0.00 H new ATOM 0 HG LEU A 56 9.442 -8.972 11.790 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.429 -8.327 14.194 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.916 -7.798 13.372 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.627 -6.622 13.721 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.330 -8.538 12.978 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.403 -6.834 12.469 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.230 -8.120 11.251 1.00 0.00 H new ATOM 882 N ILE A 57 7.967 -5.131 9.487 1.00 0.00 N ATOM 883 CA ILE A 57 6.775 -4.303 9.418 1.00 0.00 C ATOM 884 C ILE A 57 6.150 -4.380 8.023 1.00 0.00 C ATOM 885 O ILE A 57 4.936 -4.254 7.868 1.00 0.00 O ATOM 886 CB ILE A 57 7.106 -2.837 9.800 1.00 0.00 C ATOM 887 CG1 ILE A 57 5.859 -2.094 10.271 1.00 0.00 C ATOM 888 CG2 ILE A 57 7.748 -2.092 8.640 1.00 0.00 C ATOM 889 CD1 ILE A 57 6.171 -0.718 10.819 1.00 0.00 C ATOM 0 H ILE A 57 8.838 -4.608 9.581 1.00 0.00 H new ATOM 0 HA ILE A 57 6.048 -4.681 10.136 1.00 0.00 H new ATOM 0 HB ILE A 57 7.820 -2.874 10.622 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.161 -2.000 9.439 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.359 -2.682 11.041 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.967 -1.068 8.942 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.674 -2.592 8.354 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.064 -2.082 7.791 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.247 -0.236 11.139 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.846 -0.810 11.670 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.645 -0.116 10.043 1.00 0.00 H new ATOM 901 N ALA A 58 6.990 -4.618 7.016 1.00 0.00 N ATOM 902 CA ALA A 58 6.517 -4.786 5.647 1.00 0.00 C ATOM 903 C ALA A 58 5.736 -6.090 5.504 1.00 0.00 C ATOM 904 O ALA A 58 4.669 -6.129 4.888 1.00 0.00 O ATOM 905 CB ALA A 58 7.691 -4.766 4.679 1.00 0.00 C ATOM 0 H ALA A 58 8.001 -4.698 7.125 1.00 0.00 H new ATOM 0 HA ALA A 58 5.850 -3.958 5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.325 -4.892 3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.214 -3.813 4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.376 -5.578 4.921 1.00 0.00 H new ATOM 911 N GLU A 59 6.279 -7.152 6.084 1.00 0.00 N ATOM 912 CA GLU A 59 5.644 -8.462 6.051 1.00 0.00 C ATOM 913 C GLU A 59 4.345 -8.423 6.852 1.00 0.00 C ATOM 914 O GLU A 59 3.321 -8.965 6.435 1.00 0.00 O ATOM 915 CB GLU A 59 6.586 -9.513 6.641 1.00 0.00 C ATOM 916 CG GLU A 59 6.435 -10.888 6.020 1.00 0.00 C ATOM 917 CD GLU A 59 7.079 -10.980 4.650 1.00 0.00 C ATOM 918 OE1 GLU A 59 8.324 -11.118 4.583 1.00 0.00 O ATOM 919 OE2 GLU A 59 6.353 -10.937 3.637 1.00 0.00 O ATOM 0 H GLU A 59 7.166 -7.130 6.587 1.00 0.00 H new ATOM 0 HA GLU A 59 5.421 -8.726 5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.615 -9.178 6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.406 -9.587 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.883 -11.632 6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.376 -11.131 5.937 1.00 0.00 H new ATOM 926 N LYS A 60 4.411 -7.765 8.007 1.00 0.00 N ATOM 927 CA LYS A 60 3.245 -7.551 8.861 1.00 0.00 C ATOM 928 C LYS A 60 2.147 -6.811 8.100 1.00 0.00 C ATOM 929 O LYS A 60 0.958 -7.112 8.242 1.00 0.00 O ATOM 930 CB LYS A 60 3.669 -6.758 10.107 1.00 0.00 C ATOM 931 CG LYS A 60 2.518 -6.246 10.958 1.00 0.00 C ATOM 932 CD LYS A 60 3.029 -5.539 12.204 1.00 0.00 C ATOM 933 CE LYS A 60 1.927 -4.753 12.904 1.00 0.00 C ATOM 934 NZ LYS A 60 0.777 -5.614 13.291 1.00 0.00 N ATOM 0 H LYS A 60 5.273 -7.365 8.377 1.00 0.00 H new ATOM 0 HA LYS A 60 2.844 -8.517 9.168 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.305 -7.392 10.725 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.275 -5.909 9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.906 -5.560 10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.876 -7.079 11.246 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.445 -6.274 12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.840 -4.863 11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.335 -4.274 13.794 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.577 -3.958 12.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.092 -5.054 13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.317 -5.984 12.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.117 -6.407 13.872 1.00 0.00 H new ATOM 948 N PHE A 61 2.561 -5.844 7.290 1.00 0.00 N ATOM 949 CA PHE A 61 1.642 -5.083 6.460 1.00 0.00 C ATOM 950 C PHE A 61 1.006 -5.966 5.391 1.00 0.00 C ATOM 951 O PHE A 61 -0.211 -5.942 5.205 1.00 0.00 O ATOM 952 CB PHE A 61 2.379 -3.910 5.809 1.00 0.00 C ATOM 953 CG PHE A 61 1.574 -3.195 4.765 1.00 0.00 C ATOM 954 CD1 PHE A 61 0.393 -2.552 5.099 1.00 0.00 C ATOM 955 CD2 PHE A 61 1.999 -3.165 3.448 1.00 0.00 C ATOM 956 CE1 PHE A 61 -0.347 -1.892 4.138 1.00 0.00 C ATOM 957 CE2 PHE A 61 1.263 -2.508 2.484 1.00 0.00 C ATOM 958 CZ PHE A 61 0.087 -1.872 2.829 1.00 0.00 C ATOM 0 H PHE A 61 3.538 -5.568 7.192 1.00 0.00 H new ATOM 0 HA PHE A 61 0.844 -4.698 7.095 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.666 -3.199 6.583 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.300 -4.278 5.356 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.047 -2.567 6.122 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.917 -3.662 3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.265 -1.392 4.411 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.606 -2.491 1.460 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.492 -1.360 2.075 1.00 0.00 H new ATOM 968 N ALA A 62 1.827 -6.746 4.697 1.00 0.00 N ATOM 969 CA ALA A 62 1.339 -7.627 3.641 1.00 0.00 C ATOM 970 C ALA A 62 0.291 -8.602 4.174 1.00 0.00 C ATOM 971 O ALA A 62 -0.714 -8.862 3.515 1.00 0.00 O ATOM 972 CB ALA A 62 2.497 -8.379 3.001 1.00 0.00 C ATOM 0 H ALA A 62 2.835 -6.787 4.847 1.00 0.00 H new ATOM 0 HA ALA A 62 0.861 -7.010 2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.117 -9.032 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.201 -7.666 2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.004 -8.978 3.757 1.00 0.00 H new ATOM 978 N GLN A 63 0.525 -9.124 5.374 1.00 0.00 N ATOM 979 CA GLN A 63 -0.431 -10.019 6.022 1.00 0.00 C ATOM 980 C GLN A 63 -1.764 -9.310 6.244 1.00 0.00 C ATOM 981 O GLN A 63 -2.830 -9.865 5.980 1.00 0.00 O ATOM 982 CB GLN A 63 0.126 -10.515 7.360 1.00 0.00 C ATOM 983 CG GLN A 63 1.372 -11.373 7.219 1.00 0.00 C ATOM 984 CD GLN A 63 1.106 -12.689 6.514 1.00 0.00 C ATOM 985 OE1 GLN A 63 -0.072 -13.253 6.726 1.00 0.00 O flip ATOM 986 NE2 GLN A 63 1.967 -13.209 5.806 1.00 0.00 N flip ATOM 0 H GLN A 63 1.368 -8.943 5.919 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.595 -10.875 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.356 -9.655 7.989 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.644 -11.089 7.874 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.129 -10.817 6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.783 -11.573 8.209 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.863 -12.742 5.667 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.785 -14.107 5.358 1.00 0.00 H new ATOM 995 N ALA A 64 -1.684 -8.071 6.715 1.00 0.00 N ATOM 996 CA ALA A 64 -2.872 -7.270 6.968 1.00 0.00 C ATOM 997 C ALA A 64 -3.592 -6.939 5.665 1.00 0.00 C ATOM 998 O ALA A 64 -4.820 -6.982 5.596 1.00 0.00 O ATOM 999 CB ALA A 64 -2.499 -5.995 7.706 1.00 0.00 C ATOM 0 H ALA A 64 -0.805 -7.600 6.929 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.550 -7.851 7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.397 -5.405 7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.031 -6.249 8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.801 -5.416 7.102 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.820 -6.630 4.632 1.00 0.00 N ATOM 1006 CA LEU A 65 -3.375 -6.291 3.329 1.00 0.00 C ATOM 1007 C LEU A 65 -4.047 -7.510 2.697 1.00 0.00 C ATOM 1008 O LEU A 65 -5.012 -7.385 1.943 1.00 0.00 O ATOM 1009 CB LEU A 65 -2.271 -5.759 2.408 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.757 -5.176 1.078 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.708 -4.018 1.324 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.581 -4.724 0.227 1.00 0.00 C ATOM 0 H LEU A 65 -1.801 -6.607 4.672 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.127 -5.514 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.714 -4.989 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.573 -6.570 2.198 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.291 -5.957 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.045 -3.614 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.569 -4.369 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.194 -3.238 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.949 -4.313 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.018 -3.959 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.932 -5.575 0.022 1.00 0.00 H new ATOM 1024 N MET A 66 -3.531 -8.692 3.012 1.00 0.00 N ATOM 1025 CA MET A 66 -4.117 -9.933 2.523 1.00 0.00 C ATOM 1026 C MET A 66 -5.434 -10.225 3.231 1.00 0.00 C ATOM 1027 O MET A 66 -6.332 -10.842 2.659 1.00 0.00 O ATOM 1028 CB MET A 66 -3.154 -11.108 2.713 1.00 0.00 C ATOM 1029 CG MET A 66 -2.610 -11.697 1.414 1.00 0.00 C ATOM 1030 SD MET A 66 -1.208 -10.784 0.724 1.00 0.00 S ATOM 1031 CE MET A 66 -1.998 -9.316 0.069 1.00 0.00 C ATOM 0 H MET A 66 -2.709 -8.817 3.603 1.00 0.00 H new ATOM 0 HA MET A 66 -4.309 -9.809 1.457 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.316 -10.779 3.327 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.666 -11.895 3.268 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.306 -12.728 1.594 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.411 -11.725 0.676 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.363 -8.873 -0.698 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.960 -9.584 -0.367 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.152 -8.596 0.873 1.00 0.00 H new ATOM 1041 N SER A 67 -5.551 -9.787 4.481 1.00 0.00 N ATOM 1042 CA SER A 67 -6.779 -9.998 5.238 1.00 0.00 C ATOM 1043 C SER A 67 -7.835 -8.936 4.916 1.00 0.00 C ATOM 1044 O SER A 67 -9.023 -9.141 5.170 1.00 0.00 O ATOM 1045 CB SER A 67 -6.489 -10.047 6.741 1.00 0.00 C ATOM 1046 OG SER A 67 -5.642 -8.987 7.149 1.00 0.00 O ATOM 0 H SER A 67 -4.818 -9.289 4.986 1.00 0.00 H new ATOM 0 HA SER A 67 -7.188 -10.962 4.937 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.427 -9.996 7.294 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.024 -11.001 6.990 1.00 0.00 H new ATOM 0 HG SER A 67 -5.641 -8.287 6.464 1.00 0.00 H new ATOM 1052 N SER A 68 -7.410 -7.809 4.349 1.00 0.00 N ATOM 1053 CA SER A 68 -8.347 -6.773 3.933 1.00 0.00 C ATOM 1054 C SER A 68 -8.735 -6.961 2.466 1.00 0.00 C ATOM 1055 O SER A 68 -9.590 -6.249 1.933 1.00 0.00 O ATOM 1056 CB SER A 68 -7.747 -5.383 4.164 1.00 0.00 C ATOM 1057 OG SER A 68 -6.486 -5.254 3.531 1.00 0.00 O ATOM 0 H SER A 68 -6.430 -7.593 4.169 1.00 0.00 H new ATOM 0 HA SER A 68 -9.250 -6.858 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.428 -4.623 3.781 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.639 -5.205 5.234 1.00 0.00 H new ATOM 0 HG SER A 68 -6.428 -4.379 3.093 1.00 0.00 H new ATOM 1063 N LEU A 69 -8.096 -7.935 1.825 1.00 0.00 N ATOM 1064 CA LEU A 69 -8.392 -8.279 0.445 1.00 0.00 C ATOM 1065 C LEU A 69 -9.719 -9.030 0.388 1.00 0.00 C ATOM 1066 O LEU A 69 -9.814 -10.182 0.818 1.00 0.00 O ATOM 1067 CB LEU A 69 -7.243 -9.126 -0.134 1.00 0.00 C ATOM 1068 CG LEU A 69 -7.240 -9.326 -1.657 1.00 0.00 C ATOM 1069 CD1 LEU A 69 -5.858 -9.757 -2.122 1.00 0.00 C ATOM 1070 CD2 LEU A 69 -8.267 -10.366 -2.081 1.00 0.00 C ATOM 0 H LEU A 69 -7.362 -8.504 2.248 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.482 -7.375 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.299 -8.661 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.271 -10.108 0.339 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.504 -8.375 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.865 -9.897 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.130 -8.989 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.587 -10.695 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.240 -10.484 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.036 -11.320 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.262 -10.040 -1.777 1.00 0.00 H new ATOM 1082 N GLU A 70 -10.747 -8.364 -0.121 1.00 0.00 N ATOM 1083 CA GLU A 70 -12.074 -8.954 -0.196 1.00 0.00 C ATOM 1084 C GLU A 70 -12.291 -9.702 -1.502 1.00 0.00 C ATOM 1085 O GLU A 70 -12.022 -9.193 -2.594 1.00 0.00 O ATOM 1086 CB GLU A 70 -13.159 -7.893 -0.001 1.00 0.00 C ATOM 1087 CG GLU A 70 -13.497 -7.647 1.461 1.00 0.00 C ATOM 1088 CD GLU A 70 -14.145 -8.858 2.113 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -13.447 -9.874 2.325 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -15.357 -8.797 2.416 1.00 0.00 O ATOM 0 H GLU A 70 -10.686 -7.414 -0.488 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.146 -9.679 0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.830 -6.958 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.061 -8.203 -0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.588 -7.388 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.169 -6.792 1.538 1.00 0.00 H new ATOM 1097 N THR A 71 -12.773 -10.921 -1.366 1.00 0.00 N ATOM 1098 CA THR A 71 -13.081 -11.779 -2.493 1.00 0.00 C ATOM 1099 C THR A 71 -14.600 -11.911 -2.642 1.00 0.00 C ATOM 1100 O THR A 71 -15.340 -11.320 -1.854 1.00 0.00 O ATOM 1101 CB THR A 71 -12.435 -13.166 -2.288 1.00 0.00 C ATOM 1102 OG1 THR A 71 -12.648 -13.611 -0.938 1.00 0.00 O ATOM 1103 CG2 THR A 71 -10.943 -13.121 -2.580 1.00 0.00 C ATOM 0 H THR A 71 -12.964 -11.349 -0.460 1.00 0.00 H new ATOM 0 HA THR A 71 -12.677 -11.339 -3.404 1.00 0.00 H new ATOM 0 HB THR A 71 -12.903 -13.864 -2.982 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.237 -14.492 -0.815 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.512 -14.111 -2.428 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.784 -12.811 -3.613 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.462 -12.409 -1.909 1.00 0.00 H new ATOM 1111 N PRO A 72 -15.101 -12.639 -3.662 1.00 0.00 N ATOM 1112 CA PRO A 72 -16.538 -12.900 -3.796 1.00 0.00 C ATOM 1113 C PRO A 72 -17.078 -13.708 -2.615 1.00 0.00 C ATOM 1114 O PRO A 72 -17.048 -14.937 -2.617 1.00 0.00 O ATOM 1115 CB PRO A 72 -16.655 -13.703 -5.098 1.00 0.00 C ATOM 1116 CG PRO A 72 -15.382 -13.447 -5.828 1.00 0.00 C ATOM 1117 CD PRO A 72 -14.334 -13.234 -4.772 1.00 0.00 C ATOM 0 HA PRO A 72 -17.119 -11.978 -3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.786 -14.766 -4.895 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.517 -13.382 -5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.124 -14.290 -6.469 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.471 -12.572 -6.472 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.860 -14.171 -4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.542 -12.570 -5.117 1.00 0.00 H new ATOM 1125 N LYS A 73 -17.542 -13.002 -1.593 1.00 0.00 N ATOM 1126 CA LYS A 73 -18.047 -13.635 -0.382 1.00 0.00 C ATOM 1127 C LYS A 73 -19.571 -13.626 -0.368 1.00 0.00 C ATOM 1128 O LYS A 73 -20.196 -13.909 0.649 1.00 0.00 O ATOM 1129 CB LYS A 73 -17.503 -12.904 0.852 1.00 0.00 C ATOM 1130 CG LYS A 73 -15.983 -12.915 0.955 1.00 0.00 C ATOM 1131 CD LYS A 73 -15.438 -14.321 1.158 1.00 0.00 C ATOM 1132 CE LYS A 73 -15.867 -14.901 2.496 1.00 0.00 C ATOM 1133 NZ LYS A 73 -15.370 -16.288 2.687 1.00 0.00 N ATOM 0 H LYS A 73 -17.579 -11.983 -1.579 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.710 -14.671 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -17.849 -11.870 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -17.922 -13.363 1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.555 -12.487 0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.671 -12.281 1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.787 -14.967 0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.350 -14.301 1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.494 -14.268 3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.955 -14.893 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.685 -16.645 3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.746 -16.898 1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.331 -16.293 2.650 1.00 0.00 H new ATOM 1147 N THR A 74 -20.162 -13.304 -1.507 1.00 0.00 N ATOM 1148 CA THR A 74 -21.609 -13.247 -1.624 1.00 0.00 C ATOM 1149 C THR A 74 -22.086 -14.279 -2.650 1.00 0.00 C ATOM 1150 O THR A 74 -21.335 -15.195 -2.995 1.00 0.00 O ATOM 1151 CB THR A 74 -22.075 -11.818 -2.011 1.00 0.00 C ATOM 1152 OG1 THR A 74 -23.507 -11.720 -1.971 1.00 0.00 O ATOM 1153 CG2 THR A 74 -21.573 -11.431 -3.396 1.00 0.00 C ATOM 0 H THR A 74 -19.660 -13.078 -2.366 1.00 0.00 H new ATOM 0 HA THR A 74 -22.052 -13.486 -0.657 1.00 0.00 H new ATOM 0 HB THR A 74 -21.651 -11.128 -1.282 1.00 0.00 H new ATOM 0 HG1 THR A 74 -23.852 -12.266 -1.234 1.00 0.00 H new ATOM 0 HG21 THR A 74 -21.915 -10.425 -3.639 1.00 0.00 H new ATOM 0 HG22 THR A 74 -20.483 -11.456 -3.408 1.00 0.00 H new ATOM 0 HG23 THR A 74 -21.961 -12.134 -4.133 1.00 0.00 H new ATOM 1161 N HIS A 75 -23.337 -14.140 -3.102 1.00 0.00 N ATOM 1162 CA HIS A 75 -23.944 -15.025 -4.107 1.00 0.00 C ATOM 1163 C HIS A 75 -24.389 -16.357 -3.490 1.00 0.00 C ATOM 1164 O HIS A 75 -25.101 -17.136 -4.122 1.00 0.00 O ATOM 1165 CB HIS A 75 -22.983 -15.264 -5.286 1.00 0.00 C ATOM 1166 CG HIS A 75 -23.595 -15.997 -6.442 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -23.352 -17.326 -6.706 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -24.427 -15.571 -7.416 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -24.005 -17.683 -7.793 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -24.667 -16.638 -8.244 1.00 0.00 N ATOM 0 H HIS A 75 -23.964 -13.403 -2.778 1.00 0.00 H new ATOM 0 HA HIS A 75 -24.833 -14.523 -4.488 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -22.611 -14.302 -5.637 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -22.121 -15.828 -4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -24.829 -14.574 -7.523 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -23.998 -18.667 -8.239 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -25.261 -16.624 -9.073 1.00 0.00 H new ATOM 1179 N LEU A 76 -24.001 -16.596 -2.244 1.00 0.00 N ATOM 1180 CA LEU A 76 -24.352 -17.835 -1.559 1.00 0.00 C ATOM 1181 C LEU A 76 -25.720 -17.730 -0.893 1.00 0.00 C ATOM 1182 O LEU A 76 -26.179 -18.673 -0.243 1.00 0.00 O ATOM 1183 CB LEU A 76 -23.287 -18.196 -0.519 1.00 0.00 C ATOM 1184 CG LEU A 76 -21.935 -18.632 -1.095 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -20.926 -18.868 0.017 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -22.098 -19.888 -1.937 1.00 0.00 C ATOM 0 H LEU A 76 -23.443 -15.949 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 76 -24.397 -18.626 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -23.127 -17.334 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -23.673 -18.999 0.109 1.00 0.00 H new ATOM 0 HG LEU A 76 -21.561 -17.831 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -19.974 -19.177 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -20.786 -17.947 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -21.293 -19.650 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -21.129 -20.185 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -22.496 -20.692 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -22.786 -19.689 -2.759 1.00 0.00 H new ATOM 1198 N GLU A 77 -26.370 -16.587 -1.054 1.00 0.00 N ATOM 1199 CA GLU A 77 -27.707 -16.388 -0.512 1.00 0.00 C ATOM 1200 C GLU A 77 -28.760 -16.546 -1.602 1.00 0.00 C ATOM 1201 O GLU A 77 -29.865 -17.025 -1.348 1.00 0.00 O ATOM 1202 CB GLU A 77 -27.820 -15.013 0.139 1.00 0.00 C ATOM 1203 CG GLU A 77 -27.105 -14.921 1.475 1.00 0.00 C ATOM 1204 CD GLU A 77 -27.730 -15.829 2.514 1.00 0.00 C ATOM 1205 OE1 GLU A 77 -28.819 -15.487 3.024 1.00 0.00 O ATOM 1206 OE2 GLU A 77 -27.152 -16.895 2.818 1.00 0.00 O ATOM 0 H GLU A 77 -25.994 -15.783 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 77 -27.883 -17.149 0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -27.409 -14.263 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -28.873 -14.771 0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -26.056 -15.187 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -27.131 -13.891 1.830 1.00 0.00 H new ATOM 1213 N HIS A 78 -28.418 -16.141 -2.815 1.00 0.00 N ATOM 1214 CA HIS A 78 -29.327 -16.286 -3.941 1.00 0.00 C ATOM 1215 C HIS A 78 -29.246 -17.697 -4.510 1.00 0.00 C ATOM 1216 O HIS A 78 -28.313 -18.039 -5.236 1.00 0.00 O ATOM 1217 CB HIS A 78 -29.022 -15.245 -5.031 1.00 0.00 C ATOM 1218 CG HIS A 78 -29.831 -15.422 -6.287 1.00 0.00 C ATOM 1219 ND1 HIS A 78 -31.117 -14.943 -6.438 1.00 0.00 N ATOM 1220 CD2 HIS A 78 -29.527 -16.040 -7.455 1.00 0.00 C ATOM 1221 CE1 HIS A 78 -31.565 -15.261 -7.639 1.00 0.00 C ATOM 1222 NE2 HIS A 78 -30.620 -15.926 -8.272 1.00 0.00 N ATOM 0 H HIS A 78 -27.522 -15.711 -3.044 1.00 0.00 H new ATOM 0 HA HIS A 78 -30.342 -16.113 -3.584 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -29.206 -14.249 -4.629 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -27.963 -15.297 -5.283 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -28.596 -16.531 -7.696 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -32.540 -15.017 -8.035 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -30.691 -16.297 -9.220 1.00 0.00 H new ATOM 1231 N HIS A 79 -30.215 -18.519 -4.151 1.00 0.00 N ATOM 1232 CA HIS A 79 -30.330 -19.860 -4.703 1.00 0.00 C ATOM 1233 C HIS A 79 -31.766 -20.121 -5.121 1.00 0.00 C ATOM 1234 O HIS A 79 -32.684 -19.979 -4.315 1.00 0.00 O ATOM 1235 CB HIS A 79 -29.909 -20.931 -3.690 1.00 0.00 C ATOM 1236 CG HIS A 79 -28.454 -20.924 -3.334 1.00 0.00 C ATOM 1237 ND1 HIS A 79 -27.466 -21.365 -4.186 1.00 0.00 N ATOM 1238 CD2 HIS A 79 -27.826 -20.555 -2.195 1.00 0.00 C ATOM 1239 CE1 HIS A 79 -26.295 -21.269 -3.585 1.00 0.00 C ATOM 1240 NE2 HIS A 79 -26.483 -20.782 -2.372 1.00 0.00 N ATOM 0 H HIS A 79 -30.940 -18.280 -3.474 1.00 0.00 H new ATOM 0 HA HIS A 79 -29.664 -19.918 -5.564 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -30.492 -20.798 -2.779 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -30.165 -21.911 -4.092 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -28.295 -20.155 -1.308 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -25.342 -21.543 -4.014 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -25.753 -20.604 -1.682 1.00 0.00 H new ATOM 1249 N HIS A 80 -31.968 -20.484 -6.376 1.00 0.00 N ATOM 1250 CA HIS A 80 -33.286 -20.900 -6.824 1.00 0.00 C ATOM 1251 C HIS A 80 -33.485 -22.360 -6.432 1.00 0.00 C ATOM 1252 O HIS A 80 -34.611 -22.833 -6.266 1.00 0.00 O ATOM 1253 CB HIS A 80 -33.434 -20.705 -8.338 1.00 0.00 C ATOM 1254 CG HIS A 80 -34.837 -20.881 -8.845 1.00 0.00 C ATOM 1255 ND1 HIS A 80 -35.134 -21.523 -10.025 1.00 0.00 N ATOM 1256 CD2 HIS A 80 -36.026 -20.479 -8.333 1.00 0.00 C ATOM 1257 CE1 HIS A 80 -36.439 -21.511 -10.217 1.00 0.00 C ATOM 1258 NE2 HIS A 80 -37.003 -20.884 -9.205 1.00 0.00 N ATOM 0 H HIS A 80 -31.245 -20.499 -7.096 1.00 0.00 H new ATOM 0 HA HIS A 80 -34.052 -20.287 -6.349 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -33.087 -19.706 -8.600 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -32.783 -21.413 -8.850 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -36.176 -19.940 -7.409 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -36.957 -21.942 -11.061 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -38.004 -20.726 -9.089 1.00 0.00 H new ATOM 1267 N HIS A 81 -32.368 -23.061 -6.274 1.00 0.00 N ATOM 1268 CA HIS A 81 -32.377 -24.431 -5.793 1.00 0.00 C ATOM 1269 C HIS A 81 -31.457 -24.555 -4.587 1.00 0.00 C ATOM 1270 O HIS A 81 -30.237 -24.420 -4.712 1.00 0.00 O ATOM 1271 CB HIS A 81 -31.924 -25.393 -6.892 1.00 0.00 C ATOM 1272 CG HIS A 81 -32.165 -26.831 -6.559 1.00 0.00 C ATOM 1273 ND1 HIS A 81 -31.209 -27.655 -6.006 1.00 0.00 N ATOM 1274 CD2 HIS A 81 -33.276 -27.588 -6.692 1.00 0.00 C ATOM 1275 CE1 HIS A 81 -31.723 -28.853 -5.813 1.00 0.00 C ATOM 1276 NE2 HIS A 81 -32.976 -28.841 -6.220 1.00 0.00 N ATOM 0 H HIS A 81 -31.437 -22.695 -6.475 1.00 0.00 H new ATOM 0 HA HIS A 81 -33.395 -24.692 -5.504 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -32.447 -25.149 -7.816 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -30.861 -25.244 -7.079 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -34.225 -27.266 -7.095 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -31.204 -29.702 -5.392 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -33.618 -29.633 -6.189 1.00 0.00 H new ATOM 1285 N HIS A 82 -32.038 -24.796 -3.421 1.00 0.00 N ATOM 1286 CA HIS A 82 -31.254 -24.930 -2.200 1.00 0.00 C ATOM 1287 C HIS A 82 -30.541 -26.280 -2.175 1.00 0.00 C ATOM 1288 O HIS A 82 -30.999 -27.245 -2.788 1.00 0.00 O ATOM 1289 CB HIS A 82 -32.135 -24.775 -0.946 1.00 0.00 C ATOM 1290 CG HIS A 82 -32.999 -25.969 -0.645 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -32.768 -26.811 0.422 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -34.088 -26.463 -1.281 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -33.672 -27.771 0.425 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -34.487 -27.586 -0.597 1.00 0.00 N ATOM 0 H HIS A 82 -33.044 -24.902 -3.294 1.00 0.00 H new ATOM 0 HA HIS A 82 -30.512 -24.132 -2.191 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -31.493 -24.580 -0.087 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -32.774 -23.901 -1.071 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -34.556 -26.051 -2.163 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -33.735 -28.575 1.144 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -35.281 -28.179 -0.839 1.00 0.00 H new ATOM 1303 N HIS A 83 -29.425 -26.337 -1.473 1.00 0.00 N ATOM 1304 CA HIS A 83 -28.690 -27.578 -1.306 1.00 0.00 C ATOM 1305 C HIS A 83 -28.968 -28.150 0.075 1.00 0.00 C ATOM 1306 O HIS A 83 -28.677 -27.454 1.069 1.00 0.00 O ATOM 1307 CB HIS A 83 -27.185 -27.355 -1.496 1.00 0.00 C ATOM 1308 CG HIS A 83 -26.366 -28.602 -1.337 1.00 0.00 C ATOM 1309 ND1 HIS A 83 -25.762 -28.955 -0.151 1.00 0.00 N ATOM 1310 CD2 HIS A 83 -26.062 -29.586 -2.216 1.00 0.00 C ATOM 1311 CE1 HIS A 83 -25.124 -30.098 -0.307 1.00 0.00 C ATOM 1312 NE2 HIS A 83 -25.290 -30.507 -1.549 1.00 0.00 N ATOM 1313 OXT HIS A 83 -29.469 -29.286 0.170 1.00 0.00 O ATOM 0 H HIS A 83 -29.005 -25.533 -1.006 1.00 0.00 H new ATOM 0 HA HIS A 83 -29.022 -28.286 -2.065 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -27.011 -26.940 -2.489 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -26.843 -26.612 -0.776 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -26.369 -29.638 -3.250 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -24.559 -30.613 0.456 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -24.909 -31.365 -1.949 1.00 0.00 H new TER 1322 HIS A 83 ATOM 1323 N MET B 1 14.841 -3.910 -11.140 1.00 0.00 N ATOM 1324 CA MET B 1 13.909 -3.907 -12.290 1.00 0.00 C ATOM 1325 C MET B 1 12.849 -2.827 -12.102 1.00 0.00 C ATOM 1326 O MET B 1 12.293 -2.677 -11.016 1.00 0.00 O ATOM 1327 CB MET B 1 13.248 -5.286 -12.475 1.00 0.00 C ATOM 1328 CG MET B 1 12.456 -5.785 -11.270 1.00 0.00 C ATOM 1329 SD MET B 1 13.502 -6.315 -9.898 1.00 0.00 S ATOM 1330 CE MET B 1 14.406 -7.668 -10.651 1.00 0.00 C ATOM 0 H1 MET B 1 15.815 -3.789 -11.483 1.00 0.00 H new ATOM 0 H2 MET B 1 14.601 -3.129 -10.496 1.00 0.00 H new ATOM 0 H3 MET B 1 14.762 -4.814 -10.632 1.00 0.00 H new ATOM 0 HA MET B 1 14.481 -3.688 -13.192 1.00 0.00 H new ATOM 0 HB2 MET B 1 12.581 -5.241 -13.336 1.00 0.00 H new ATOM 0 HB3 MET B 1 14.023 -6.016 -12.710 1.00 0.00 H new ATOM 0 HG2 MET B 1 11.792 -4.992 -10.926 1.00 0.00 H new ATOM 0 HG3 MET B 1 11.824 -6.618 -11.579 1.00 0.00 H new ATOM 0 HE1 MET B 1 14.768 -8.341 -9.874 1.00 0.00 H new ATOM 0 HE2 MET B 1 13.747 -8.215 -11.326 1.00 0.00 H new ATOM 0 HE3 MET B 1 15.253 -7.272 -11.212 1.00 0.00 H new ATOM 1339 N PRO B 2 12.579 -2.044 -13.160 1.00 0.00 N ATOM 1340 CA PRO B 2 11.628 -0.926 -13.106 1.00 0.00 C ATOM 1341 C PRO B 2 10.205 -1.375 -12.794 1.00 0.00 C ATOM 1342 O PRO B 2 9.760 -2.436 -13.246 1.00 0.00 O ATOM 1343 CB PRO B 2 11.691 -0.321 -14.514 1.00 0.00 C ATOM 1344 CG PRO B 2 12.962 -0.825 -15.101 1.00 0.00 C ATOM 1345 CD PRO B 2 13.181 -2.179 -14.497 1.00 0.00 C ATOM 0 HA PRO B 2 11.887 -0.226 -12.312 1.00 0.00 H new ATOM 0 HB2 PRO B 2 10.833 -0.627 -15.112 1.00 0.00 H new ATOM 0 HB3 PRO B 2 11.680 0.768 -14.475 1.00 0.00 H new ATOM 0 HG2 PRO B 2 12.894 -0.888 -16.187 1.00 0.00 H new ATOM 0 HG3 PRO B 2 13.791 -0.156 -14.872 1.00 0.00 H new ATOM 0 HD2 PRO B 2 12.699 -2.964 -15.080 1.00 0.00 H new ATOM 0 HD3 PRO B 2 14.240 -2.429 -14.440 1.00 0.00 H new ATOM 1353 N ILE B 3 9.495 -0.563 -12.023 1.00 0.00 N ATOM 1354 CA ILE B 3 8.110 -0.848 -11.679 1.00 0.00 C ATOM 1355 C ILE B 3 7.173 -0.336 -12.769 1.00 0.00 C ATOM 1356 O ILE B 3 7.617 0.280 -13.742 1.00 0.00 O ATOM 1357 CB ILE B 3 7.714 -0.216 -10.325 1.00 0.00 C ATOM 1358 CG1 ILE B 3 7.906 1.305 -10.364 1.00 0.00 C ATOM 1359 CG2 ILE B 3 8.530 -0.833 -9.194 1.00 0.00 C ATOM 1360 CD1 ILE B 3 7.449 2.008 -9.103 1.00 0.00 C ATOM 0 H ILE B 3 9.858 0.302 -11.623 1.00 0.00 H new ATOM 0 HA ILE B 3 8.016 -1.931 -11.593 1.00 0.00 H new ATOM 0 HB ILE B 3 6.659 -0.421 -10.141 1.00 0.00 H new ATOM 0 HG12 ILE B 3 8.960 1.525 -10.531 1.00 0.00 H new ATOM 0 HG13 ILE B 3 7.358 1.710 -11.214 1.00 0.00 H new ATOM 0 HG21 ILE B 3 8.241 -0.378 -8.247 1.00 0.00 H new ATOM 0 HG22 ILE B 3 8.343 -1.906 -9.154 1.00 0.00 H new ATOM 0 HG23 ILE B 3 9.591 -0.656 -9.372 1.00 0.00 H new ATOM 0 HD11 ILE B 3 7.616 3.080 -9.204 1.00 0.00 H new ATOM 0 HD12 ILE B 3 6.387 1.819 -8.945 1.00 0.00 H new ATOM 0 HD13 ILE B 3 8.015 1.631 -8.251 1.00 0.00 H new ATOM 1372 N THR B 4 5.883 -0.602 -12.609 1.00 0.00 N ATOM 1373 CA THR B 4 4.891 -0.155 -13.573 1.00 0.00 C ATOM 1374 C THR B 4 4.841 1.369 -13.611 1.00 0.00 C ATOM 1375 O THR B 4 4.896 2.031 -12.573 1.00 0.00 O ATOM 1376 CB THR B 4 3.488 -0.733 -13.260 1.00 0.00 C ATOM 1377 OG1 THR B 4 2.551 -0.339 -14.270 1.00 0.00 O ATOM 1378 CG2 THR B 4 2.989 -0.278 -11.895 1.00 0.00 C ATOM 0 H THR B 4 5.501 -1.125 -11.821 1.00 0.00 H new ATOM 0 HA THR B 4 5.190 -0.527 -14.553 1.00 0.00 H new ATOM 0 HB THR B 4 3.575 -1.819 -13.248 1.00 0.00 H new ATOM 0 HG1 THR B 4 1.833 0.190 -13.862 1.00 0.00 H new ATOM 0 HG21 THR B 4 2.002 -0.702 -11.708 1.00 0.00 H new ATOM 0 HG22 THR B 4 3.681 -0.616 -11.124 1.00 0.00 H new ATOM 0 HG23 THR B 4 2.926 0.810 -11.875 1.00 0.00 H new ATOM 1386 N SER B 5 4.779 1.922 -14.811 1.00 0.00 N ATOM 1387 CA SER B 5 4.741 3.360 -14.976 1.00 0.00 C ATOM 1388 C SER B 5 4.101 3.746 -16.313 1.00 0.00 C ATOM 1389 O SER B 5 2.947 3.400 -16.575 1.00 0.00 O ATOM 1390 CB SER B 5 6.156 3.937 -14.846 1.00 0.00 C ATOM 1391 OG SER B 5 7.071 3.255 -15.691 1.00 0.00 O ATOM 0 H SER B 5 4.754 1.394 -15.684 1.00 0.00 H new ATOM 0 HA SER B 5 4.120 3.787 -14.188 1.00 0.00 H new ATOM 0 HB2 SER B 5 6.144 4.997 -15.100 1.00 0.00 H new ATOM 0 HB3 SER B 5 6.488 3.861 -13.811 1.00 0.00 H new ATOM 0 HG SER B 5 7.964 3.645 -15.588 1.00 0.00 H new ATOM 1397 N LYS B 6 4.860 4.454 -17.152 1.00 0.00 N ATOM 1398 CA LYS B 6 4.349 4.998 -18.413 1.00 0.00 C ATOM 1399 C LYS B 6 3.224 6.010 -18.135 1.00 0.00 C ATOM 1400 O LYS B 6 2.425 6.349 -19.009 1.00 0.00 O ATOM 1401 CB LYS B 6 3.870 3.866 -19.337 1.00 0.00 C ATOM 1402 CG LYS B 6 3.543 4.315 -20.752 1.00 0.00 C ATOM 1403 CD LYS B 6 3.077 3.156 -21.612 1.00 0.00 C ATOM 1404 CE LYS B 6 2.506 3.642 -22.933 1.00 0.00 C ATOM 1405 NZ LYS B 6 1.284 4.466 -22.732 1.00 0.00 N ATOM 0 H LYS B 6 5.842 4.666 -16.978 1.00 0.00 H new ATOM 0 HA LYS B 6 5.156 5.521 -18.925 1.00 0.00 H new ATOM 0 HB2 LYS B 6 4.641 3.097 -19.381 1.00 0.00 H new ATOM 0 HB3 LYS B 6 2.984 3.405 -18.900 1.00 0.00 H new ATOM 0 HG2 LYS B 6 2.768 5.081 -20.721 1.00 0.00 H new ATOM 0 HG3 LYS B 6 4.424 4.772 -21.202 1.00 0.00 H new ATOM 0 HD2 LYS B 6 3.912 2.482 -21.801 1.00 0.00 H new ATOM 0 HD3 LYS B 6 2.320 2.584 -21.075 1.00 0.00 H new ATOM 0 HE2 LYS B 6 3.258 4.228 -23.461 1.00 0.00 H new ATOM 0 HE3 LYS B 6 2.268 2.786 -23.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 0.737 4.497 -23.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 0.702 4.046 -21.979 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 1.557 5.432 -22.460 1.00 0.00 H new ATOM 1419 N TYR B 7 3.192 6.504 -16.902 1.00 0.00 N ATOM 1420 CA TYR B 7 2.232 7.524 -16.492 1.00 0.00 C ATOM 1421 C TYR B 7 2.960 8.849 -16.293 1.00 0.00 C ATOM 1422 O TYR B 7 2.487 9.727 -15.572 1.00 0.00 O ATOM 1423 CB TYR B 7 1.543 7.119 -15.182 1.00 0.00 C ATOM 1424 CG TYR B 7 0.904 5.745 -15.201 1.00 0.00 C ATOM 1425 CD1 TYR B 7 -0.055 5.415 -16.150 1.00 0.00 C ATOM 1426 CD2 TYR B 7 1.254 4.782 -14.260 1.00 0.00 C ATOM 1427 CE1 TYR B 7 -0.645 4.166 -16.160 1.00 0.00 C ATOM 1428 CE2 TYR B 7 0.671 3.532 -14.266 1.00 0.00 C ATOM 1429 CZ TYR B 7 -0.278 3.227 -15.219 1.00 0.00 C ATOM 1430 OH TYR B 7 -0.868 1.983 -15.226 1.00 0.00 O ATOM 0 H TYR B 7 3.828 6.210 -16.161 1.00 0.00 H new ATOM 0 HA TYR B 7 1.474 7.628 -17.269 1.00 0.00 H new ATOM 0 HB2 TYR B 7 2.276 7.153 -14.376 1.00 0.00 H new ATOM 0 HB3 TYR B 7 0.777 7.858 -14.947 1.00 0.00 H new ATOM 0 HD1 TYR B 7 -0.344 6.146 -16.891 1.00 0.00 H new ATOM 0 HD2 TYR B 7 1.996 5.017 -13.511 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -1.391 3.926 -16.903 1.00 0.00 H new ATOM 0 HE2 TYR B 7 0.956 2.796 -13.529 1.00 0.00 H new ATOM 0 HH TYR B 7 -0.497 1.441 -14.499 1.00 0.00 H new ATOM 1440 N THR B 8 4.100 8.971 -16.980 1.00 0.00 N ATOM 1441 CA THR B 8 5.078 10.051 -16.789 1.00 0.00 C ATOM 1442 C THR B 8 5.632 10.047 -15.363 1.00 0.00 C ATOM 1443 O THR B 8 4.885 10.004 -14.382 1.00 0.00 O ATOM 1444 CB THR B 8 4.531 11.466 -17.129 1.00 0.00 C ATOM 1445 OG1 THR B 8 3.677 11.939 -16.097 1.00 0.00 O ATOM 1446 CG2 THR B 8 3.761 11.468 -18.437 1.00 0.00 C ATOM 0 H THR B 8 4.377 8.306 -17.702 1.00 0.00 H new ATOM 0 HA THR B 8 5.877 9.841 -17.500 1.00 0.00 H new ATOM 0 HB THR B 8 5.395 12.124 -17.224 1.00 0.00 H new ATOM 0 HG1 THR B 8 2.893 11.355 -16.028 1.00 0.00 H new ATOM 0 HG21 THR B 8 3.394 12.474 -18.642 1.00 0.00 H new ATOM 0 HG22 THR B 8 4.418 11.150 -19.246 1.00 0.00 H new ATOM 0 HG23 THR B 8 2.917 10.782 -18.364 1.00 0.00 H new ATOM 1454 N ASP B 9 6.950 10.085 -15.254 1.00 0.00 N ATOM 1455 CA ASP B 9 7.613 10.130 -13.957 1.00 0.00 C ATOM 1456 C ASP B 9 7.241 11.420 -13.237 1.00 0.00 C ATOM 1457 O ASP B 9 7.058 11.444 -12.021 1.00 0.00 O ATOM 1458 CB ASP B 9 9.129 10.047 -14.148 1.00 0.00 C ATOM 1459 CG ASP B 9 9.899 10.070 -12.842 1.00 0.00 C ATOM 1460 OD1 ASP B 9 10.145 8.989 -12.273 1.00 0.00 O ATOM 1461 OD2 ASP B 9 10.292 11.170 -12.400 1.00 0.00 O ATOM 0 H ASP B 9 7.586 10.086 -16.051 1.00 0.00 H new ATOM 0 HA ASP B 9 7.288 9.282 -13.354 1.00 0.00 H new ATOM 0 HB2 ASP B 9 9.371 9.132 -14.688 1.00 0.00 H new ATOM 0 HB3 ASP B 9 9.456 10.880 -14.770 1.00 0.00 H new ATOM 1466 N GLU B 10 7.084 12.474 -14.027 1.00 0.00 N ATOM 1467 CA GLU B 10 6.762 13.803 -13.520 1.00 0.00 C ATOM 1468 C GLU B 10 5.412 13.824 -12.807 1.00 0.00 C ATOM 1469 O GLU B 10 5.314 14.288 -11.673 1.00 0.00 O ATOM 1470 CB GLU B 10 6.753 14.792 -14.680 1.00 0.00 C ATOM 1471 CG GLU B 10 8.066 14.830 -15.440 1.00 0.00 C ATOM 1472 CD GLU B 10 7.944 15.532 -16.770 1.00 0.00 C ATOM 1473 OE1 GLU B 10 8.098 16.770 -16.812 1.00 0.00 O ATOM 1474 OE2 GLU B 10 7.691 14.848 -17.783 1.00 0.00 O ATOM 0 H GLU B 10 7.177 12.432 -15.042 1.00 0.00 H new ATOM 0 HA GLU B 10 7.522 14.085 -12.791 1.00 0.00 H new ATOM 0 HB2 GLU B 10 5.949 14.529 -15.368 1.00 0.00 H new ATOM 0 HB3 GLU B 10 6.532 15.789 -14.298 1.00 0.00 H new ATOM 0 HG2 GLU B 10 8.818 15.335 -14.834 1.00 0.00 H new ATOM 0 HG3 GLU B 10 8.418 13.811 -15.602 1.00 0.00 H new ATOM 1481 N GLN B 11 4.377 13.314 -13.474 1.00 0.00 N ATOM 1482 CA GLN B 11 3.030 13.314 -12.911 1.00 0.00 C ATOM 1483 C GLN B 11 3.005 12.567 -11.584 1.00 0.00 C ATOM 1484 O GLN B 11 2.489 13.073 -10.588 1.00 0.00 O ATOM 1485 CB GLN B 11 2.038 12.680 -13.888 1.00 0.00 C ATOM 1486 CG GLN B 11 0.591 12.776 -13.444 1.00 0.00 C ATOM 1487 CD GLN B 11 -0.377 12.139 -14.425 1.00 0.00 C ATOM 1488 OE1 GLN B 11 -1.522 12.574 -14.553 1.00 0.00 O ATOM 1489 NE2 GLN B 11 0.064 11.104 -15.123 1.00 0.00 N ATOM 0 H GLN B 11 4.447 12.897 -14.402 1.00 0.00 H new ATOM 0 HA GLN B 11 2.735 14.349 -12.736 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.142 13.162 -14.860 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.297 11.630 -14.023 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.483 12.295 -12.472 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.327 13.825 -13.312 1.00 0.00 H new ATOM 0 HE21 GLN B 11 1.019 10.770 -14.992 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -0.551 10.641 -15.792 1.00 0.00 H new ATOM 1498 N VAL B 12 3.582 11.371 -11.577 1.00 0.00 N ATOM 1499 CA VAL B 12 3.643 10.552 -10.372 1.00 0.00 C ATOM 1500 C VAL B 12 4.386 11.287 -9.262 1.00 0.00 C ATOM 1501 O VAL B 12 3.907 11.365 -8.129 1.00 0.00 O ATOM 1502 CB VAL B 12 4.337 9.201 -10.646 1.00 0.00 C ATOM 1503 CG1 VAL B 12 4.420 8.364 -9.378 1.00 0.00 C ATOM 1504 CG2 VAL B 12 3.612 8.438 -11.744 1.00 0.00 C ATOM 0 H VAL B 12 4.016 10.945 -12.396 1.00 0.00 H new ATOM 0 HA VAL B 12 2.618 10.359 -10.056 1.00 0.00 H new ATOM 0 HB VAL B 12 5.353 9.407 -10.983 1.00 0.00 H new ATOM 0 HG11 VAL B 12 4.913 7.417 -9.599 1.00 0.00 H new ATOM 0 HG12 VAL B 12 4.991 8.904 -8.623 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.415 8.171 -9.003 1.00 0.00 H new ATOM 0 HG21 VAL B 12 4.117 7.489 -11.922 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.583 8.250 -11.438 1.00 0.00 H new ATOM 0 HG23 VAL B 12 3.616 9.028 -12.660 1.00 0.00 H new ATOM 1514 N GLU B 13 5.550 11.832 -9.606 1.00 0.00 N ATOM 1515 CA GLU B 13 6.367 12.599 -8.672 1.00 0.00 C ATOM 1516 C GLU B 13 5.554 13.720 -8.029 1.00 0.00 C ATOM 1517 O GLU B 13 5.561 13.889 -6.809 1.00 0.00 O ATOM 1518 CB GLU B 13 7.571 13.181 -9.416 1.00 0.00 C ATOM 1519 CG GLU B 13 8.488 14.035 -8.560 1.00 0.00 C ATOM 1520 CD GLU B 13 9.555 14.722 -9.383 1.00 0.00 C ATOM 1521 OE1 GLU B 13 10.576 14.077 -9.697 1.00 0.00 O ATOM 1522 OE2 GLU B 13 9.369 15.905 -9.739 1.00 0.00 O ATOM 0 H GLU B 13 5.953 11.754 -10.540 1.00 0.00 H new ATOM 0 HA GLU B 13 6.711 11.936 -7.878 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.151 12.361 -9.840 1.00 0.00 H new ATOM 0 HB3 GLU B 13 7.210 13.782 -10.251 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.898 14.785 -8.033 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.961 13.411 -7.802 1.00 0.00 H new ATOM 1529 N LYS B 14 4.835 14.463 -8.858 1.00 0.00 N ATOM 1530 CA LYS B 14 4.044 15.589 -8.383 1.00 0.00 C ATOM 1531 C LYS B 14 2.907 15.127 -7.480 1.00 0.00 C ATOM 1532 O LYS B 14 2.643 15.745 -6.449 1.00 0.00 O ATOM 1533 CB LYS B 14 3.497 16.407 -9.556 1.00 0.00 C ATOM 1534 CG LYS B 14 4.408 17.551 -9.985 1.00 0.00 C ATOM 1535 CD LYS B 14 5.778 17.060 -10.425 1.00 0.00 C ATOM 1536 CE LYS B 14 6.722 18.218 -10.690 1.00 0.00 C ATOM 1537 NZ LYS B 14 8.060 17.755 -11.147 1.00 0.00 N ATOM 0 H LYS B 14 4.783 14.306 -9.865 1.00 0.00 H new ATOM 0 HA LYS B 14 4.703 16.227 -7.795 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.337 15.744 -10.406 1.00 0.00 H new ATOM 0 HB3 LYS B 14 2.524 16.813 -9.281 1.00 0.00 H new ATOM 0 HG2 LYS B 14 3.940 18.099 -10.803 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.523 18.251 -9.158 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.199 16.414 -9.655 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.678 16.457 -11.327 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.288 18.873 -11.445 1.00 0.00 H new ATOM 0 HE3 LYS B 14 6.834 18.809 -9.781 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.762 18.503 -10.978 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 8.331 16.901 -10.619 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 8.023 17.537 -12.163 1.00 0.00 H new ATOM 1551 N ILE B 15 2.242 14.039 -7.859 1.00 0.00 N ATOM 1552 CA ILE B 15 1.167 13.490 -7.039 1.00 0.00 C ATOM 1553 C ILE B 15 1.704 13.053 -5.681 1.00 0.00 C ATOM 1554 O ILE B 15 1.141 13.397 -4.642 1.00 0.00 O ATOM 1555 CB ILE B 15 0.470 12.285 -7.711 1.00 0.00 C ATOM 1556 CG1 ILE B 15 -0.088 12.676 -9.080 1.00 0.00 C ATOM 1557 CG2 ILE B 15 -0.645 11.753 -6.817 1.00 0.00 C ATOM 1558 CD1 ILE B 15 -0.692 11.517 -9.848 1.00 0.00 C ATOM 0 H ILE B 15 2.426 13.524 -8.720 1.00 0.00 H new ATOM 0 HA ILE B 15 0.432 14.285 -6.917 1.00 0.00 H new ATOM 0 HB ILE B 15 1.210 11.498 -7.855 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -0.848 13.446 -8.946 1.00 0.00 H new ATOM 0 HG13 ILE B 15 0.711 13.117 -9.675 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -1.127 10.905 -7.303 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -0.226 11.434 -5.863 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -1.380 12.539 -6.646 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -1.066 11.872 -10.808 1.00 0.00 H new ATOM 0 HD12 ILE B 15 0.069 10.755 -10.015 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -1.514 11.089 -9.274 1.00 0.00 H new ATOM 1570 N LEU B 16 2.802 12.302 -5.700 1.00 0.00 N ATOM 1571 CA LEU B 16 3.432 11.820 -4.476 1.00 0.00 C ATOM 1572 C LEU B 16 3.792 12.976 -3.549 1.00 0.00 C ATOM 1573 O LEU B 16 3.556 12.911 -2.343 1.00 0.00 O ATOM 1574 CB LEU B 16 4.692 11.017 -4.806 1.00 0.00 C ATOM 1575 CG LEU B 16 4.456 9.678 -5.507 1.00 0.00 C ATOM 1576 CD1 LEU B 16 5.782 9.034 -5.882 1.00 0.00 C ATOM 1577 CD2 LEU B 16 3.647 8.749 -4.615 1.00 0.00 C ATOM 0 H LEU B 16 3.276 12.013 -6.556 1.00 0.00 H new ATOM 0 HA LEU B 16 2.715 11.176 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.336 11.629 -5.437 1.00 0.00 H new ATOM 0 HB3 LEU B 16 5.236 10.831 -3.880 1.00 0.00 H new ATOM 0 HG LEU B 16 3.890 9.860 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU B 16 5.596 8.082 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU B 16 6.330 9.694 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU B 16 6.371 8.863 -4.981 1.00 0.00 H new ATOM 0 HD21 LEU B 16 3.487 7.800 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU B 16 4.189 8.573 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU B 16 2.684 9.207 -4.391 1.00 0.00 H new ATOM 1589 N ALA B 17 4.354 14.033 -4.126 1.00 0.00 N ATOM 1590 CA ALA B 17 4.746 15.212 -3.361 1.00 0.00 C ATOM 1591 C ALA B 17 3.550 15.827 -2.639 1.00 0.00 C ATOM 1592 O ALA B 17 3.635 16.174 -1.460 1.00 0.00 O ATOM 1593 CB ALA B 17 5.397 16.240 -4.275 1.00 0.00 C ATOM 0 H ALA B 17 4.549 14.097 -5.125 1.00 0.00 H new ATOM 0 HA ALA B 17 5.468 14.899 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.685 17.115 -3.692 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.283 15.806 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.690 16.537 -5.050 1.00 0.00 H new ATOM 1599 N GLU B 18 2.430 15.940 -3.345 1.00 0.00 N ATOM 1600 CA GLU B 18 1.228 16.535 -2.772 1.00 0.00 C ATOM 1601 C GLU B 18 0.645 15.638 -1.684 1.00 0.00 C ATOM 1602 O GLU B 18 0.236 16.122 -0.628 1.00 0.00 O ATOM 1603 CB GLU B 18 0.183 16.801 -3.859 1.00 0.00 C ATOM 1604 CG GLU B 18 0.663 17.776 -4.923 1.00 0.00 C ATOM 1605 CD GLU B 18 -0.434 18.209 -5.873 1.00 0.00 C ATOM 1606 OE1 GLU B 18 -0.634 17.546 -6.911 1.00 0.00 O ATOM 1607 OE2 GLU B 18 -1.086 19.238 -5.599 1.00 0.00 O ATOM 0 H GLU B 18 2.329 15.629 -4.311 1.00 0.00 H new ATOM 0 HA GLU B 18 1.506 17.487 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.086 15.858 -4.334 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.722 17.194 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU B 18 1.083 18.657 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU B 18 1.468 17.313 -5.494 1.00 0.00 H new ATOM 1614 N VAL B 19 0.625 14.332 -1.940 1.00 0.00 N ATOM 1615 CA VAL B 19 0.127 13.363 -0.966 1.00 0.00 C ATOM 1616 C VAL B 19 0.994 13.364 0.291 1.00 0.00 C ATOM 1617 O VAL B 19 0.485 13.298 1.413 1.00 0.00 O ATOM 1618 CB VAL B 19 0.075 11.934 -1.557 1.00 0.00 C ATOM 1619 CG1 VAL B 19 -0.335 10.916 -0.500 1.00 0.00 C ATOM 1620 CG2 VAL B 19 -0.877 11.881 -2.742 1.00 0.00 C ATOM 0 H VAL B 19 0.948 13.920 -2.815 1.00 0.00 H new ATOM 0 HA VAL B 19 -0.887 13.664 -0.705 1.00 0.00 H new ATOM 0 HB VAL B 19 1.077 11.677 -1.902 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -0.363 9.921 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL B 19 0.387 10.929 0.317 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -1.323 11.169 -0.115 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.901 10.868 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -1.878 12.166 -2.418 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.536 12.571 -3.514 1.00 0.00 H new ATOM 1630 N ALA B 20 2.304 13.453 0.097 1.00 0.00 N ATOM 1631 CA ALA B 20 3.243 13.494 1.211 1.00 0.00 C ATOM 1632 C ALA B 20 2.980 14.704 2.098 1.00 0.00 C ATOM 1633 O ALA B 20 3.012 14.607 3.327 1.00 0.00 O ATOM 1634 CB ALA B 20 4.674 13.515 0.693 1.00 0.00 C ATOM 0 H ALA B 20 2.741 13.498 -0.824 1.00 0.00 H new ATOM 0 HA ALA B 20 3.101 12.596 1.812 1.00 0.00 H new ATOM 0 HB1 ALA B 20 5.365 13.546 1.535 1.00 0.00 H new ATOM 0 HB2 ALA B 20 4.861 12.618 0.103 1.00 0.00 H new ATOM 0 HB3 ALA B 20 4.822 14.397 0.070 1.00 0.00 H new ATOM 1640 N LEU B 21 2.697 15.841 1.469 1.00 0.00 N ATOM 1641 CA LEU B 21 2.412 17.067 2.203 1.00 0.00 C ATOM 1642 C LEU B 21 1.109 16.948 2.984 1.00 0.00 C ATOM 1643 O LEU B 21 0.945 17.579 4.024 1.00 0.00 O ATOM 1644 CB LEU B 21 2.347 18.265 1.257 1.00 0.00 C ATOM 1645 CG LEU B 21 3.658 18.595 0.542 1.00 0.00 C ATOM 1646 CD1 LEU B 21 3.478 19.816 -0.340 1.00 0.00 C ATOM 1647 CD2 LEU B 21 4.779 18.822 1.544 1.00 0.00 C ATOM 0 H LEU B 21 2.659 15.938 0.454 1.00 0.00 H new ATOM 0 HA LEU B 21 3.226 17.224 2.911 1.00 0.00 H new ATOM 0 HB2 LEU B 21 1.579 18.075 0.507 1.00 0.00 H new ATOM 0 HB3 LEU B 21 2.030 19.140 1.824 1.00 0.00 H new ATOM 0 HG LEU B 21 3.932 17.746 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU B 21 4.417 20.042 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU B 21 2.706 19.617 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU B 21 3.181 20.667 0.273 1.00 0.00 H new ATOM 0 HD21 LEU B 21 5.701 19.055 1.012 1.00 0.00 H new ATOM 0 HD22 LEU B 21 4.518 19.653 2.199 1.00 0.00 H new ATOM 0 HD23 LEU B 21 4.922 17.921 2.140 1.00 0.00 H new ATOM 1659 N VAL B 22 0.187 16.136 2.482 1.00 0.00 N ATOM 1660 CA VAL B 22 -1.049 15.854 3.200 1.00 0.00 C ATOM 1661 C VAL B 22 -0.735 15.182 4.531 1.00 0.00 C ATOM 1662 O VAL B 22 -1.197 15.615 5.591 1.00 0.00 O ATOM 1663 CB VAL B 22 -1.988 14.945 2.379 1.00 0.00 C ATOM 1664 CG1 VAL B 22 -3.175 14.494 3.215 1.00 0.00 C ATOM 1665 CG2 VAL B 22 -2.463 15.659 1.122 1.00 0.00 C ATOM 0 H VAL B 22 0.272 15.662 1.583 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.555 16.804 3.372 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.425 14.060 2.082 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -3.822 13.855 2.614 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.819 13.937 4.082 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.737 15.366 3.550 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.124 15.001 0.557 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -3.003 16.564 1.400 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.603 15.924 0.507 1.00 0.00 H new ATOM 1675 N LEU B 23 0.077 14.138 4.459 1.00 0.00 N ATOM 1676 CA LEU B 23 0.473 13.382 5.635 1.00 0.00 C ATOM 1677 C LEU B 23 1.267 14.269 6.588 1.00 0.00 C ATOM 1678 O LEU B 23 1.024 14.278 7.797 1.00 0.00 O ATOM 1679 CB LEU B 23 1.310 12.172 5.212 1.00 0.00 C ATOM 1680 CG LEU B 23 0.681 11.302 4.120 1.00 0.00 C ATOM 1681 CD1 LEU B 23 1.615 10.174 3.733 1.00 0.00 C ATOM 1682 CD2 LEU B 23 -0.655 10.745 4.578 1.00 0.00 C ATOM 0 H LEU B 23 0.478 13.793 3.587 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.420 13.032 6.153 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.280 12.524 4.861 1.00 0.00 H new ATOM 0 HB3 LEU B 23 1.494 11.552 6.089 1.00 0.00 H new ATOM 0 HG LEU B 23 0.511 11.929 3.244 1.00 0.00 H new ATOM 0 HD11 LEU B 23 1.150 9.567 2.956 1.00 0.00 H new ATOM 0 HD12 LEU B 23 2.551 10.589 3.358 1.00 0.00 H new ATOM 0 HD13 LEU B 23 1.817 9.553 4.606 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -1.084 10.130 3.786 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -0.509 10.137 5.471 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -1.333 11.567 4.806 1.00 0.00 H new ATOM 1694 N GLU B 24 2.198 15.031 6.023 1.00 0.00 N ATOM 1695 CA GLU B 24 3.025 15.951 6.795 1.00 0.00 C ATOM 1696 C GLU B 24 2.162 16.991 7.513 1.00 0.00 C ATOM 1697 O GLU B 24 2.350 17.250 8.701 1.00 0.00 O ATOM 1698 CB GLU B 24 4.031 16.647 5.870 1.00 0.00 C ATOM 1699 CG GLU B 24 5.064 17.489 6.600 1.00 0.00 C ATOM 1700 CD GLU B 24 5.988 16.664 7.477 1.00 0.00 C ATOM 1701 OE1 GLU B 24 6.728 15.815 6.935 1.00 0.00 O ATOM 1702 OE2 GLU B 24 5.996 16.876 8.706 1.00 0.00 O ATOM 0 H GLU B 24 2.400 15.028 5.023 1.00 0.00 H new ATOM 0 HA GLU B 24 3.565 15.379 7.550 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.547 15.891 5.277 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.487 17.283 5.172 1.00 0.00 H new ATOM 0 HG2 GLU B 24 5.659 18.038 5.870 1.00 0.00 H new ATOM 0 HG3 GLU B 24 4.552 18.229 7.216 1.00 0.00 H new ATOM 1709 N LYS B 25 1.197 17.556 6.790 1.00 0.00 N ATOM 1710 CA LYS B 25 0.344 18.616 7.323 1.00 0.00 C ATOM 1711 C LYS B 25 -0.461 18.137 8.532 1.00 0.00 C ATOM 1712 O LYS B 25 -0.660 18.887 9.487 1.00 0.00 O ATOM 1713 CB LYS B 25 -0.601 19.145 6.233 1.00 0.00 C ATOM 1714 CG LYS B 25 -1.403 20.364 6.667 1.00 0.00 C ATOM 1715 CD LYS B 25 -2.178 20.998 5.516 1.00 0.00 C ATOM 1716 CE LYS B 25 -3.414 20.196 5.119 1.00 0.00 C ATOM 1717 NZ LYS B 25 -3.099 19.078 4.191 1.00 0.00 N ATOM 0 H LYS B 25 0.986 17.295 5.827 1.00 0.00 H new ATOM 0 HA LYS B 25 0.994 19.426 7.654 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.017 19.400 5.349 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -1.289 18.351 5.943 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -2.100 20.074 7.453 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -0.728 21.104 7.097 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -2.481 22.006 5.800 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -1.521 21.095 4.652 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.886 19.796 6.016 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -4.138 20.861 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -3.567 19.243 3.277 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -2.070 19.025 4.048 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -3.439 18.183 4.598 1.00 0.00 H new ATOM 1731 N HIS B 26 -0.904 16.883 8.503 1.00 0.00 N ATOM 1732 CA HIS B 26 -1.709 16.340 9.597 1.00 0.00 C ATOM 1733 C HIS B 26 -0.828 15.741 10.684 1.00 0.00 C ATOM 1734 O HIS B 26 -1.339 15.217 11.674 1.00 0.00 O ATOM 1735 CB HIS B 26 -2.678 15.265 9.100 1.00 0.00 C ATOM 1736 CG HIS B 26 -3.812 15.787 8.274 1.00 0.00 C ATOM 1737 ND1 HIS B 26 -5.016 16.188 8.810 1.00 0.00 N ATOM 1738 CD2 HIS B 26 -3.927 15.942 6.939 1.00 0.00 C ATOM 1739 CE1 HIS B 26 -5.823 16.564 7.834 1.00 0.00 C ATOM 1740 NE2 HIS B 26 -5.183 16.425 6.690 1.00 0.00 N ATOM 0 H HIS B 26 -0.722 16.228 7.743 1.00 0.00 H new ATOM 0 HA HIS B 26 -2.279 17.173 10.009 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -2.121 14.536 8.511 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -3.086 14.735 9.961 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.168 15.725 6.202 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.834 16.924 7.953 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -5.562 16.642 5.768 1.00 0.00 H new ATOM 1749 N ALA B 27 0.489 15.821 10.493 1.00 0.00 N ATOM 1750 CA ALA B 27 1.449 15.233 11.425 1.00 0.00 C ATOM 1751 C ALA B 27 1.208 13.733 11.565 1.00 0.00 C ATOM 1752 O ALA B 27 1.202 13.186 12.669 1.00 0.00 O ATOM 1753 CB ALA B 27 1.378 15.926 12.782 1.00 0.00 C ATOM 0 H ALA B 27 0.917 16.291 9.695 1.00 0.00 H new ATOM 0 HA ALA B 27 2.452 15.380 11.025 1.00 0.00 H new ATOM 0 HB1 ALA B 27 2.101 15.473 13.460 1.00 0.00 H new ATOM 0 HB2 ALA B 27 1.607 16.985 12.662 1.00 0.00 H new ATOM 0 HB3 ALA B 27 0.375 15.816 13.194 1.00 0.00 H new ATOM 1759 N ALA B 28 1.020 13.074 10.429 1.00 0.00 N ATOM 1760 CA ALA B 28 0.720 11.651 10.404 1.00 0.00 C ATOM 1761 C ALA B 28 1.902 10.824 10.895 1.00 0.00 C ATOM 1762 O ALA B 28 3.035 11.015 10.456 1.00 0.00 O ATOM 1763 CB ALA B 28 0.320 11.217 9.000 1.00 0.00 C ATOM 0 H ALA B 28 1.071 13.507 9.507 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.116 11.476 11.081 1.00 0.00 H new ATOM 0 HB1 ALA B 28 0.099 10.150 8.998 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.564 11.771 8.686 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.139 11.419 8.310 1.00 0.00 H new ATOM 1769 N SER B 29 1.624 9.916 11.819 1.00 0.00 N ATOM 1770 CA SER B 29 2.634 9.017 12.352 1.00 0.00 C ATOM 1771 C SER B 29 3.084 8.023 11.278 1.00 0.00 C ATOM 1772 O SER B 29 2.359 7.787 10.310 1.00 0.00 O ATOM 1773 CB SER B 29 2.057 8.277 13.559 1.00 0.00 C ATOM 1774 OG SER B 29 1.553 9.195 14.518 1.00 0.00 O ATOM 0 H SER B 29 0.695 9.783 12.218 1.00 0.00 H new ATOM 0 HA SER B 29 3.505 9.593 12.664 1.00 0.00 H new ATOM 0 HB2 SER B 29 1.260 7.608 13.235 1.00 0.00 H new ATOM 0 HB3 SER B 29 2.829 7.656 14.014 1.00 0.00 H new ATOM 0 HG SER B 29 1.187 8.702 15.282 1.00 0.00 H new ATOM 1780 N PRO B 30 4.287 7.435 11.424 1.00 0.00 N ATOM 1781 CA PRO B 30 4.815 6.456 10.463 1.00 0.00 C ATOM 1782 C PRO B 30 3.857 5.287 10.228 1.00 0.00 C ATOM 1783 O PRO B 30 3.550 4.954 9.080 1.00 0.00 O ATOM 1784 CB PRO B 30 6.108 5.965 11.119 1.00 0.00 C ATOM 1785 CG PRO B 30 6.512 7.067 12.035 1.00 0.00 C ATOM 1786 CD PRO B 30 5.233 7.684 12.529 1.00 0.00 C ATOM 0 HA PRO B 30 4.964 6.900 9.479 1.00 0.00 H new ATOM 0 HB2 PRO B 30 5.946 5.036 11.665 1.00 0.00 H new ATOM 0 HB3 PRO B 30 6.879 5.767 10.374 1.00 0.00 H new ATOM 0 HG2 PRO B 30 7.108 6.686 12.865 1.00 0.00 H new ATOM 0 HG3 PRO B 30 7.125 7.803 11.514 1.00 0.00 H new ATOM 0 HD2 PRO B 30 4.897 7.223 13.458 1.00 0.00 H new ATOM 0 HD3 PRO B 30 5.350 8.750 12.726 1.00 0.00 H new ATOM 1794 N GLU B 31 3.384 4.674 11.314 1.00 0.00 N ATOM 1795 CA GLU B 31 2.430 3.570 11.219 1.00 0.00 C ATOM 1796 C GLU B 31 1.171 4.023 10.485 1.00 0.00 C ATOM 1797 O GLU B 31 0.681 3.337 9.590 1.00 0.00 O ATOM 1798 CB GLU B 31 2.042 3.032 12.604 1.00 0.00 C ATOM 1799 CG GLU B 31 3.217 2.701 13.513 1.00 0.00 C ATOM 1800 CD GLU B 31 3.730 3.913 14.265 1.00 0.00 C ATOM 1801 OE1 GLU B 31 4.612 4.618 13.735 1.00 0.00 O ATOM 1802 OE2 GLU B 31 3.256 4.165 15.391 1.00 0.00 O ATOM 0 H GLU B 31 3.646 4.923 12.268 1.00 0.00 H new ATOM 0 HA GLU B 31 2.916 2.768 10.663 1.00 0.00 H new ATOM 0 HB2 GLU B 31 1.413 3.770 13.102 1.00 0.00 H new ATOM 0 HB3 GLU B 31 1.438 2.134 12.473 1.00 0.00 H new ATOM 0 HG2 GLU B 31 2.915 1.935 14.228 1.00 0.00 H new ATOM 0 HG3 GLU B 31 4.026 2.279 12.917 1.00 0.00 H new ATOM 1809 N LEU B 32 0.664 5.189 10.873 1.00 0.00 N ATOM 1810 CA LEU B 32 -0.516 5.769 10.242 1.00 0.00 C ATOM 1811 C LEU B 32 -0.281 5.978 8.749 1.00 0.00 C ATOM 1812 O LEU B 32 -1.133 5.652 7.929 1.00 0.00 O ATOM 1813 CB LEU B 32 -0.875 7.098 10.917 1.00 0.00 C ATOM 1814 CG LEU B 32 -2.088 7.829 10.334 1.00 0.00 C ATOM 1815 CD1 LEU B 32 -3.312 6.928 10.340 1.00 0.00 C ATOM 1816 CD2 LEU B 32 -2.364 9.109 11.114 1.00 0.00 C ATOM 0 H LEU B 32 1.055 5.754 11.627 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.349 5.076 10.363 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.060 6.910 11.974 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -0.011 7.760 10.858 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.864 8.094 9.301 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -4.162 7.467 9.922 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.113 6.041 9.739 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.539 6.630 11.363 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.229 9.616 10.687 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.566 8.863 12.157 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.495 9.764 11.057 1.00 0.00 H new ATOM 1828 N THR B 33 0.889 6.503 8.417 1.00 0.00 N ATOM 1829 CA THR B 33 1.271 6.755 7.034 1.00 0.00 C ATOM 1830 C THR B 33 1.210 5.482 6.191 1.00 0.00 C ATOM 1831 O THR B 33 0.583 5.451 5.131 1.00 0.00 O ATOM 1832 CB THR B 33 2.693 7.341 6.969 1.00 0.00 C ATOM 1833 OG1 THR B 33 2.711 8.643 7.566 1.00 0.00 O ATOM 1834 CG2 THR B 33 3.199 7.412 5.537 1.00 0.00 C ATOM 0 H THR B 33 1.601 6.767 9.098 1.00 0.00 H new ATOM 0 HA THR B 33 0.558 7.472 6.626 1.00 0.00 H new ATOM 0 HB THR B 33 3.358 6.680 7.524 1.00 0.00 H new ATOM 0 HG1 THR B 33 2.599 8.560 8.536 1.00 0.00 H new ATOM 0 HG21 THR B 33 4.205 7.830 5.527 1.00 0.00 H new ATOM 0 HG22 THR B 33 3.218 6.410 5.108 1.00 0.00 H new ATOM 0 HG23 THR B 33 2.537 8.046 4.948 1.00 0.00 H new ATOM 1842 N LEU B 34 1.857 4.434 6.677 1.00 0.00 N ATOM 1843 CA LEU B 34 1.917 3.184 5.948 1.00 0.00 C ATOM 1844 C LEU B 34 0.542 2.520 5.924 1.00 0.00 C ATOM 1845 O LEU B 34 0.197 1.807 4.979 1.00 0.00 O ATOM 1846 CB LEU B 34 2.979 2.268 6.563 1.00 0.00 C ATOM 1847 CG LEU B 34 3.273 0.994 5.774 1.00 0.00 C ATOM 1848 CD1 LEU B 34 4.763 0.697 5.771 1.00 0.00 C ATOM 1849 CD2 LEU B 34 2.507 -0.180 6.357 1.00 0.00 C ATOM 0 H LEU B 34 2.346 4.428 7.572 1.00 0.00 H new ATOM 0 HA LEU B 34 2.205 3.381 4.915 1.00 0.00 H new ATOM 0 HB2 LEU B 34 3.905 2.832 6.670 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.658 1.989 7.567 1.00 0.00 H new ATOM 0 HG LEU B 34 2.948 1.148 4.745 1.00 0.00 H new ATOM 0 HD11 LEU B 34 4.951 -0.215 5.204 1.00 0.00 H new ATOM 0 HD12 LEU B 34 5.299 1.528 5.311 1.00 0.00 H new ATOM 0 HD13 LEU B 34 5.110 0.565 6.796 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.728 -1.080 5.783 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.805 -0.329 7.395 1.00 0.00 H new ATOM 0 HD23 LEU B 34 1.437 0.025 6.312 1.00 0.00 H new ATOM 1861 N MET B 35 -0.255 2.779 6.954 1.00 0.00 N ATOM 1862 CA MET B 35 -1.619 2.280 6.998 1.00 0.00 C ATOM 1863 C MET B 35 -2.491 3.038 5.999 1.00 0.00 C ATOM 1864 O MET B 35 -3.434 2.479 5.444 1.00 0.00 O ATOM 1865 CB MET B 35 -2.194 2.374 8.416 1.00 0.00 C ATOM 1866 CG MET B 35 -3.607 1.823 8.539 1.00 0.00 C ATOM 1867 SD MET B 35 -4.085 1.474 10.243 1.00 0.00 S ATOM 1868 CE MET B 35 -3.792 3.057 11.026 1.00 0.00 C ATOM 0 H MET B 35 0.021 3.330 7.766 1.00 0.00 H new ATOM 0 HA MET B 35 -1.610 1.227 6.717 1.00 0.00 H new ATOM 0 HB2 MET B 35 -1.541 1.832 9.100 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.191 3.417 8.732 1.00 0.00 H new ATOM 0 HG2 MET B 35 -4.308 2.539 8.111 1.00 0.00 H new ATOM 0 HG3 MET B 35 -3.686 0.909 7.951 1.00 0.00 H new ATOM 0 HE1 MET B 35 -4.191 3.041 12.040 1.00 0.00 H new ATOM 0 HE2 MET B 35 -2.720 3.253 11.061 1.00 0.00 H new ATOM 0 HE3 MET B 35 -4.286 3.843 10.454 1.00 0.00 H new ATOM 1878 N ILE B 36 -2.165 4.310 5.762 1.00 0.00 N ATOM 1879 CA ILE B 36 -2.821 5.083 4.708 1.00 0.00 C ATOM 1880 C ILE B 36 -2.607 4.396 3.366 1.00 0.00 C ATOM 1881 O ILE B 36 -3.544 4.224 2.586 1.00 0.00 O ATOM 1882 CB ILE B 36 -2.297 6.543 4.622 1.00 0.00 C ATOM 1883 CG1 ILE B 36 -2.659 7.332 5.884 1.00 0.00 C ATOM 1884 CG2 ILE B 36 -2.840 7.251 3.384 1.00 0.00 C ATOM 1885 CD1 ILE B 36 -4.136 7.332 6.212 1.00 0.00 C ATOM 0 H ILE B 36 -1.454 4.824 6.283 1.00 0.00 H new ATOM 0 HA ILE B 36 -3.882 5.129 4.955 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.211 6.497 4.543 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -2.110 6.916 6.729 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -2.325 8.362 5.763 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.456 8.271 3.350 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -2.523 6.714 2.490 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -3.929 7.274 3.426 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -4.307 7.912 7.119 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -4.692 7.776 5.386 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -4.474 6.308 6.367 1.00 0.00 H new ATOM 1897 N ALA B 37 -1.366 3.984 3.121 1.00 0.00 N ATOM 1898 CA ALA B 37 -1.026 3.238 1.913 1.00 0.00 C ATOM 1899 C ALA B 37 -1.845 1.954 1.828 1.00 0.00 C ATOM 1900 O ALA B 37 -2.336 1.581 0.760 1.00 0.00 O ATOM 1901 CB ALA B 37 0.461 2.921 1.890 1.00 0.00 C ATOM 0 H ALA B 37 -0.577 4.155 3.745 1.00 0.00 H new ATOM 0 HA ALA B 37 -1.264 3.855 1.047 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.700 2.365 0.984 1.00 0.00 H new ATOM 0 HB2 ALA B 37 1.031 3.850 1.907 1.00 0.00 H new ATOM 0 HB3 ALA B 37 0.719 2.321 2.763 1.00 0.00 H new ATOM 1907 N GLY B 38 -1.997 1.290 2.968 1.00 0.00 N ATOM 1908 CA GLY B 38 -2.805 0.087 3.030 1.00 0.00 C ATOM 1909 C GLY B 38 -4.263 0.359 2.730 1.00 0.00 C ATOM 1910 O GLY B 38 -4.920 -0.427 2.048 1.00 0.00 O ATOM 0 H GLY B 38 -1.573 1.565 3.854 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.420 -0.644 2.319 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.717 -0.357 4.022 1.00 0.00 H new ATOM 1914 N ASN B 39 -4.771 1.474 3.241 1.00 0.00 N ATOM 1915 CA ASN B 39 -6.144 1.884 2.975 1.00 0.00 C ATOM 1916 C ASN B 39 -6.343 2.107 1.481 1.00 0.00 C ATOM 1917 O ASN B 39 -7.357 1.696 0.919 1.00 0.00 O ATOM 1918 CB ASN B 39 -6.496 3.163 3.741 1.00 0.00 C ATOM 1919 CG ASN B 39 -6.524 2.971 5.244 1.00 0.00 C ATOM 1920 OD1 ASN B 39 -6.211 4.028 5.980 1.00 0.00 O flip ATOM 1921 ND2 ASN B 39 -6.828 1.889 5.745 1.00 0.00 N flip ATOM 0 H ASN B 39 -4.251 2.112 3.844 1.00 0.00 H new ATOM 0 HA ASN B 39 -6.806 1.087 3.314 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -5.770 3.938 3.494 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -7.470 3.521 3.409 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -7.063 1.098 5.146 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -6.845 1.783 6.759 1.00 0.00 H new ATOM 1928 N ILE B 40 -5.365 2.752 0.847 1.00 0.00 N ATOM 1929 CA ILE B 40 -5.405 2.978 -0.594 1.00 0.00 C ATOM 1930 C ILE B 40 -5.470 1.650 -1.339 1.00 0.00 C ATOM 1931 O ILE B 40 -6.375 1.424 -2.142 1.00 0.00 O ATOM 1932 CB ILE B 40 -4.176 3.772 -1.092 1.00 0.00 C ATOM 1933 CG1 ILE B 40 -4.107 5.145 -0.420 1.00 0.00 C ATOM 1934 CG2 ILE B 40 -4.226 3.925 -2.608 1.00 0.00 C ATOM 1935 CD1 ILE B 40 -2.901 5.960 -0.830 1.00 0.00 C ATOM 0 H ILE B 40 -4.537 3.126 1.309 1.00 0.00 H new ATOM 0 HA ILE B 40 -6.300 3.566 -0.797 1.00 0.00 H new ATOM 0 HB ILE B 40 -3.277 3.216 -0.824 1.00 0.00 H new ATOM 0 HG12 ILE B 40 -5.011 5.704 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -4.094 5.011 0.662 1.00 0.00 H new ATOM 0 HG21 ILE B 40 -3.355 4.486 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE B 40 -4.226 2.939 -3.073 1.00 0.00 H new ATOM 0 HG23 ILE B 40 -5.133 4.459 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE B 40 -2.918 6.920 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE B 40 -1.991 5.422 -0.564 1.00 0.00 H new ATOM 0 HD13 ILE B 40 -2.923 6.126 -1.907 1.00 0.00 H new ATOM 1947 N ALA B 41 -4.515 0.768 -1.053 1.00 0.00 N ATOM 1948 CA ALA B 41 -4.462 -0.539 -1.689 1.00 0.00 C ATOM 1949 C ALA B 41 -5.759 -1.315 -1.473 1.00 0.00 C ATOM 1950 O ALA B 41 -6.295 -1.904 -2.408 1.00 0.00 O ATOM 1951 CB ALA B 41 -3.271 -1.328 -1.169 1.00 0.00 C ATOM 0 H ALA B 41 -3.766 0.939 -0.382 1.00 0.00 H new ATOM 0 HA ALA B 41 -4.342 -0.389 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -3.242 -2.304 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -2.351 -0.786 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -3.364 -1.460 -0.091 1.00 0.00 H new ATOM 1957 N THR B 42 -6.269 -1.294 -0.245 1.00 0.00 N ATOM 1958 CA THR B 42 -7.513 -1.982 0.081 1.00 0.00 C ATOM 1959 C THR B 42 -8.685 -1.391 -0.709 1.00 0.00 C ATOM 1960 O THR B 42 -9.524 -2.124 -1.231 1.00 0.00 O ATOM 1961 CB THR B 42 -7.809 -1.907 1.594 1.00 0.00 C ATOM 1962 OG1 THR B 42 -6.714 -2.470 2.332 1.00 0.00 O ATOM 1963 CG2 THR B 42 -9.087 -2.651 1.940 1.00 0.00 C ATOM 0 H THR B 42 -5.839 -0.807 0.541 1.00 0.00 H new ATOM 0 HA THR B 42 -7.393 -3.029 -0.198 1.00 0.00 H new ATOM 0 HB THR B 42 -7.936 -0.858 1.863 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.949 -1.858 2.301 1.00 0.00 H new ATOM 0 HG21 THR B 42 -9.270 -2.581 3.012 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.924 -2.208 1.400 1.00 0.00 H new ATOM 0 HG23 THR B 42 -8.986 -3.699 1.657 1.00 0.00 H new ATOM 1971 N ASN B 43 -8.724 -0.064 -0.808 1.00 0.00 N ATOM 1972 CA ASN B 43 -9.753 0.623 -1.589 1.00 0.00 C ATOM 1973 C ASN B 43 -9.704 0.166 -3.043 1.00 0.00 C ATOM 1974 O ASN B 43 -10.739 -0.076 -3.671 1.00 0.00 O ATOM 1975 CB ASN B 43 -9.560 2.143 -1.505 1.00 0.00 C ATOM 1976 CG ASN B 43 -10.600 2.917 -2.296 1.00 0.00 C ATOM 1977 OD1 ASN B 43 -10.422 3.186 -3.483 1.00 0.00 O ATOM 1978 ND2 ASN B 43 -11.686 3.296 -1.639 1.00 0.00 N ATOM 0 H ASN B 43 -8.054 0.559 -0.357 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.730 0.372 -1.175 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -9.602 2.452 -0.461 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -8.567 2.399 -1.874 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -12.411 3.830 -2.118 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -11.797 3.053 -0.655 1.00 0.00 H new ATOM 1985 N VAL B 44 -8.491 0.034 -3.567 1.00 0.00 N ATOM 1986 CA VAL B 44 -8.292 -0.472 -4.916 1.00 0.00 C ATOM 1987 C VAL B 44 -8.770 -1.915 -5.011 1.00 0.00 C ATOM 1988 O VAL B 44 -9.479 -2.279 -5.946 1.00 0.00 O ATOM 1989 CB VAL B 44 -6.810 -0.389 -5.349 1.00 0.00 C ATOM 1990 CG1 VAL B 44 -6.628 -0.917 -6.766 1.00 0.00 C ATOM 1991 CG2 VAL B 44 -6.298 1.039 -5.247 1.00 0.00 C ATOM 0 H VAL B 44 -7.630 0.272 -3.075 1.00 0.00 H new ATOM 0 HA VAL B 44 -8.876 0.156 -5.589 1.00 0.00 H new ATOM 0 HB VAL B 44 -6.227 -1.014 -4.672 1.00 0.00 H new ATOM 0 HG11 VAL B 44 -5.577 -0.848 -7.048 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -6.948 -1.958 -6.810 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -7.228 -0.323 -7.455 1.00 0.00 H new ATOM 0 HG21 VAL B 44 -5.253 1.074 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -6.890 1.685 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -6.383 1.383 -4.216 1.00 0.00 H new ATOM 2001 N LEU B 45 -8.410 -2.723 -4.017 1.00 0.00 N ATOM 2002 CA LEU B 45 -8.800 -4.130 -3.987 1.00 0.00 C ATOM 2003 C LEU B 45 -10.311 -4.287 -3.826 1.00 0.00 C ATOM 2004 O LEU B 45 -10.865 -5.353 -4.081 1.00 0.00 O ATOM 2005 CB LEU B 45 -8.079 -4.869 -2.858 1.00 0.00 C ATOM 2006 CG LEU B 45 -6.553 -4.907 -2.961 1.00 0.00 C ATOM 2007 CD1 LEU B 45 -5.955 -5.611 -1.750 1.00 0.00 C ATOM 2008 CD2 LEU B 45 -6.122 -5.599 -4.245 1.00 0.00 C ATOM 0 H LEU B 45 -7.847 -2.426 -3.220 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.509 -4.568 -4.942 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.350 -4.402 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -8.449 -5.894 -2.825 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.184 -3.882 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -4.869 -5.629 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -6.236 -5.076 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.332 -6.632 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -5.034 -5.617 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.502 -6.620 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -6.521 -5.056 -5.102 1.00 0.00 H new ATOM 2020 N ASN B 46 -10.971 -3.225 -3.391 1.00 0.00 N ATOM 2021 CA ASN B 46 -12.417 -3.241 -3.230 1.00 0.00 C ATOM 2022 C ASN B 46 -13.127 -2.891 -4.532 1.00 0.00 C ATOM 2023 O ASN B 46 -13.948 -3.663 -5.027 1.00 0.00 O ATOM 2024 CB ASN B 46 -12.861 -2.262 -2.138 1.00 0.00 C ATOM 2025 CG ASN B 46 -12.796 -2.844 -0.735 1.00 0.00 C ATOM 2026 OD1 ASN B 46 -11.844 -3.732 -0.493 1.00 0.00 O flip ATOM 2027 ND2 ASN B 46 -13.595 -2.482 0.130 1.00 0.00 N flip ATOM 0 H ASN B 46 -10.528 -2.340 -3.143 1.00 0.00 H new ATOM 0 HA ASN B 46 -12.691 -4.255 -2.939 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -12.233 -1.372 -2.183 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.883 -1.942 -2.342 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -14.315 -1.795 -0.096 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.537 -2.869 1.072 1.00 0.00 H new ATOM 2034 N GLN B 47 -12.807 -1.729 -5.088 1.00 0.00 N ATOM 2035 CA GLN B 47 -13.573 -1.195 -6.210 1.00 0.00 C ATOM 2036 C GLN B 47 -12.757 -1.111 -7.498 1.00 0.00 C ATOM 2037 O GLN B 47 -13.297 -1.286 -8.592 1.00 0.00 O ATOM 2038 CB GLN B 47 -14.088 0.203 -5.860 1.00 0.00 C ATOM 2039 CG GLN B 47 -14.814 0.275 -4.525 1.00 0.00 C ATOM 2040 CD GLN B 47 -15.226 1.688 -4.157 1.00 0.00 C ATOM 2041 OE1 GLN B 47 -15.510 2.513 -5.023 1.00 0.00 O ATOM 2042 NE2 GLN B 47 -15.244 1.984 -2.865 1.00 0.00 N ATOM 0 H GLN B 47 -12.030 -1.142 -4.785 1.00 0.00 H new ATOM 0 HA GLN B 47 -14.399 -1.884 -6.386 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -13.247 0.896 -5.843 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -14.762 0.539 -6.648 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -15.700 -0.359 -4.563 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -14.169 -0.126 -3.743 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -15.002 1.272 -2.175 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -15.500 2.923 -2.561 1.00 0.00 H new ATOM 2051 N ARG B 48 -11.462 -0.866 -7.373 1.00 0.00 N ATOM 2052 CA ARG B 48 -10.659 -0.442 -8.517 1.00 0.00 C ATOM 2053 C ARG B 48 -9.807 -1.574 -9.088 1.00 0.00 C ATOM 2054 O ARG B 48 -8.802 -1.318 -9.748 1.00 0.00 O ATOM 2055 CB ARG B 48 -9.752 0.724 -8.110 1.00 0.00 C ATOM 2056 CG ARG B 48 -10.475 1.814 -7.337 1.00 0.00 C ATOM 2057 CD ARG B 48 -9.561 2.988 -7.028 1.00 0.00 C ATOM 2058 NE ARG B 48 -10.158 3.891 -6.048 1.00 0.00 N ATOM 2059 CZ ARG B 48 -10.578 5.124 -6.320 1.00 0.00 C ATOM 2060 NH1 ARG B 48 -10.453 5.624 -7.543 1.00 0.00 N ATOM 2061 NH2 ARG B 48 -11.123 5.865 -5.364 1.00 0.00 N ATOM 0 H ARG B 48 -10.944 -0.952 -6.498 1.00 0.00 H new ATOM 0 HA ARG B 48 -11.353 -0.129 -9.298 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -8.932 0.341 -7.502 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -9.308 1.158 -9.006 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -11.331 2.162 -7.915 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -10.865 1.402 -6.406 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -8.608 2.618 -6.650 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -9.348 3.536 -7.946 1.00 0.00 H new ATOM 0 HE ARG B 48 -10.260 3.554 -5.091 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -10.032 5.062 -8.283 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -10.778 6.570 -7.743 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -11.220 5.490 -4.421 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -11.445 6.810 -5.572 1.00 0.00 H new ATOM 2075 N VAL B 49 -10.200 -2.821 -8.864 1.00 0.00 N ATOM 2076 CA VAL B 49 -9.427 -3.942 -9.382 1.00 0.00 C ATOM 2077 C VAL B 49 -10.328 -5.118 -9.749 1.00 0.00 C ATOM 2078 O VAL B 49 -11.397 -5.309 -9.159 1.00 0.00 O ATOM 2079 CB VAL B 49 -8.359 -4.412 -8.369 1.00 0.00 C ATOM 2080 CG1 VAL B 49 -8.990 -5.191 -7.231 1.00 0.00 C ATOM 2081 CG2 VAL B 49 -7.288 -5.240 -9.055 1.00 0.00 C ATOM 0 H VAL B 49 -11.034 -3.079 -8.337 1.00 0.00 H new ATOM 0 HA VAL B 49 -8.925 -3.586 -10.282 1.00 0.00 H new ATOM 0 HB VAL B 49 -7.887 -3.524 -7.949 1.00 0.00 H new ATOM 0 HG11 VAL B 49 -8.215 -5.509 -6.534 1.00 0.00 H new ATOM 0 HG12 VAL B 49 -9.708 -4.557 -6.711 1.00 0.00 H new ATOM 0 HG13 VAL B 49 -9.501 -6.067 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL B 49 -6.548 -5.559 -8.321 1.00 0.00 H new ATOM 0 HG22 VAL B 49 -7.744 -6.117 -9.514 1.00 0.00 H new ATOM 0 HG23 VAL B 49 -6.801 -4.640 -9.824 1.00 0.00 H new ATOM 2091 N ALA B 50 -9.890 -5.897 -10.729 1.00 0.00 N ATOM 2092 CA ALA B 50 -10.586 -7.113 -11.114 1.00 0.00 C ATOM 2093 C ALA B 50 -10.398 -8.186 -10.050 1.00 0.00 C ATOM 2094 O ALA B 50 -9.353 -8.243 -9.408 1.00 0.00 O ATOM 2095 CB ALA B 50 -10.077 -7.603 -12.461 1.00 0.00 C ATOM 0 H ALA B 50 -9.050 -5.705 -11.274 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.651 -6.897 -11.203 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.605 -8.515 -12.740 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.252 -6.837 -13.216 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.009 -7.809 -12.393 1.00 0.00 H new ATOM 2101 N ALA B 51 -11.413 -9.013 -9.845 1.00 0.00 N ATOM 2102 CA ALA B 51 -11.318 -10.133 -8.916 1.00 0.00 C ATOM 2103 C ALA B 51 -10.181 -11.075 -9.309 1.00 0.00 C ATOM 2104 O ALA B 51 -9.405 -11.518 -8.460 1.00 0.00 O ATOM 2105 CB ALA B 51 -12.639 -10.884 -8.859 1.00 0.00 C ATOM 0 H ALA B 51 -12.316 -8.930 -10.311 1.00 0.00 H new ATOM 0 HA ALA B 51 -11.098 -9.737 -7.925 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -12.554 -11.718 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -13.427 -10.209 -8.524 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -12.885 -11.264 -9.851 1.00 0.00 H new ATOM 2111 N SER B 52 -10.074 -11.357 -10.600 1.00 0.00 N ATOM 2112 CA SER B 52 -9.027 -12.232 -11.109 1.00 0.00 C ATOM 2113 C SER B 52 -7.661 -11.541 -11.072 1.00 0.00 C ATOM 2114 O SER B 52 -6.621 -12.189 -11.184 1.00 0.00 O ATOM 2115 CB SER B 52 -9.369 -12.668 -12.534 1.00 0.00 C ATOM 2116 OG SER B 52 -10.657 -13.262 -12.582 1.00 0.00 O ATOM 0 H SER B 52 -10.702 -10.991 -11.316 1.00 0.00 H new ATOM 0 HA SER B 52 -8.969 -13.112 -10.468 1.00 0.00 H new ATOM 0 HB2 SER B 52 -9.335 -11.807 -13.201 1.00 0.00 H new ATOM 0 HB3 SER B 52 -8.623 -13.377 -12.892 1.00 0.00 H new ATOM 0 HG SER B 52 -10.858 -13.533 -13.502 1.00 0.00 H new ATOM 2122 N GLN B 53 -7.676 -10.227 -10.886 1.00 0.00 N ATOM 2123 CA GLN B 53 -6.449 -9.438 -10.828 1.00 0.00 C ATOM 2124 C GLN B 53 -6.104 -9.105 -9.384 1.00 0.00 C ATOM 2125 O GLN B 53 -5.023 -8.606 -9.090 1.00 0.00 O ATOM 2126 CB GLN B 53 -6.627 -8.136 -11.619 1.00 0.00 C ATOM 2127 CG GLN B 53 -5.340 -7.351 -11.827 1.00 0.00 C ATOM 2128 CD GLN B 53 -5.524 -6.177 -12.770 1.00 0.00 C ATOM 2129 OE1 GLN B 53 -4.875 -5.142 -12.635 1.00 0.00 O ATOM 2130 NE2 GLN B 53 -6.400 -6.343 -13.748 1.00 0.00 N ATOM 0 H GLN B 53 -8.530 -9.681 -10.772 1.00 0.00 H new ATOM 0 HA GLN B 53 -5.639 -10.023 -11.265 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -7.057 -8.371 -12.593 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.345 -7.503 -11.098 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -4.980 -6.987 -10.865 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -4.573 -8.015 -12.224 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -6.919 -7.218 -13.825 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -6.556 -5.596 -14.425 1.00 0.00 H new ATOM 2139 N ARG B 54 -7.022 -9.415 -8.487 1.00 0.00 N ATOM 2140 CA ARG B 54 -6.970 -8.911 -7.123 1.00 0.00 C ATOM 2141 C ARG B 54 -5.746 -9.416 -6.362 1.00 0.00 C ATOM 2142 O ARG B 54 -4.982 -8.622 -5.812 1.00 0.00 O ATOM 2143 CB ARG B 54 -8.259 -9.282 -6.394 1.00 0.00 C ATOM 2144 CG ARG B 54 -8.535 -8.438 -5.166 1.00 0.00 C ATOM 2145 CD ARG B 54 -10.024 -8.354 -4.890 1.00 0.00 C ATOM 2146 NE ARG B 54 -10.743 -7.750 -6.015 1.00 0.00 N ATOM 2147 CZ ARG B 54 -12.070 -7.684 -6.109 1.00 0.00 C ATOM 2148 NH1 ARG B 54 -12.835 -8.195 -5.150 1.00 0.00 N ATOM 2149 NH2 ARG B 54 -12.633 -7.102 -7.165 1.00 0.00 N ATOM 0 H ARG B 54 -7.821 -10.019 -8.680 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.877 -7.826 -7.168 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -9.096 -9.185 -7.085 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.209 -10.330 -6.099 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -8.025 -8.866 -4.303 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.131 -7.436 -5.310 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.417 -9.353 -4.699 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -10.196 -7.766 -3.988 1.00 0.00 H new ATOM 0 HE ARG B 54 -10.191 -7.354 -6.776 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -12.406 -8.640 -4.338 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -13.851 -8.142 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -12.048 -6.707 -7.902 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -13.649 -7.051 -7.238 1.00 0.00 H new ATOM 2163 N LYS B 55 -5.540 -10.723 -6.337 1.00 0.00 N ATOM 2164 CA LYS B 55 -4.407 -11.276 -5.609 1.00 0.00 C ATOM 2165 C LYS B 55 -3.121 -11.071 -6.404 1.00 0.00 C ATOM 2166 O LYS B 55 -2.037 -10.929 -5.832 1.00 0.00 O ATOM 2167 CB LYS B 55 -4.615 -12.761 -5.300 1.00 0.00 C ATOM 2168 CG LYS B 55 -3.531 -13.333 -4.400 1.00 0.00 C ATOM 2169 CD LYS B 55 -3.820 -14.765 -3.980 1.00 0.00 C ATOM 2170 CE LYS B 55 -2.756 -15.275 -3.017 1.00 0.00 C ATOM 2171 NZ LYS B 55 -3.048 -16.647 -2.529 1.00 0.00 N ATOM 0 H LYS B 55 -6.131 -11.412 -6.803 1.00 0.00 H new ATOM 0 HA LYS B 55 -4.324 -10.748 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -5.586 -12.896 -4.823 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -4.639 -13.322 -6.234 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -2.574 -13.296 -4.921 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -3.434 -12.709 -3.511 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -4.800 -14.818 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -3.856 -15.406 -4.861 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -1.786 -15.267 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -2.684 -14.597 -2.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -2.297 -16.951 -1.877 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -3.961 -16.651 -2.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -3.091 -17.301 -3.337 1.00 0.00 H new ATOM 2185 N LEU B 56 -3.256 -11.036 -7.723 1.00 0.00 N ATOM 2186 CA LEU B 56 -2.123 -10.796 -8.608 1.00 0.00 C ATOM 2187 C LEU B 56 -1.550 -9.404 -8.396 1.00 0.00 C ATOM 2188 O LEU B 56 -0.346 -9.240 -8.219 1.00 0.00 O ATOM 2189 CB LEU B 56 -2.536 -10.963 -10.071 1.00 0.00 C ATOM 2190 CG LEU B 56 -2.823 -12.397 -10.505 1.00 0.00 C ATOM 2191 CD1 LEU B 56 -3.249 -12.430 -11.964 1.00 0.00 C ATOM 2192 CD2 LEU B 56 -1.592 -13.261 -10.281 1.00 0.00 C ATOM 0 H LEU B 56 -4.144 -11.172 -8.206 1.00 0.00 H new ATOM 0 HA LEU B 56 -1.355 -11.531 -8.367 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -3.426 -10.361 -10.252 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -1.745 -10.560 -10.704 1.00 0.00 H new ATOM 0 HG LEU B 56 -3.640 -12.796 -9.904 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -3.451 -13.459 -12.261 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -4.151 -11.832 -12.093 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -2.451 -12.023 -12.585 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -1.804 -14.284 -10.593 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -0.760 -12.868 -10.866 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -1.328 -13.251 -9.223 1.00 0.00 H new ATOM 2204 N ILE B 57 -2.422 -8.408 -8.402 1.00 0.00 N ATOM 2205 CA ILE B 57 -2.008 -7.025 -8.261 1.00 0.00 C ATOM 2206 C ILE B 57 -1.492 -6.768 -6.843 1.00 0.00 C ATOM 2207 O ILE B 57 -0.630 -5.918 -6.629 1.00 0.00 O ATOM 2208 CB ILE B 57 -3.170 -6.065 -8.619 1.00 0.00 C ATOM 2209 CG1 ILE B 57 -2.634 -4.708 -9.069 1.00 0.00 C ATOM 2210 CG2 ILE B 57 -4.127 -5.889 -7.447 1.00 0.00 C ATOM 2211 CD1 ILE B 57 -3.698 -3.828 -9.692 1.00 0.00 C ATOM 0 H ILE B 57 -3.429 -8.536 -8.504 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.193 -6.831 -8.959 1.00 0.00 H new ATOM 0 HB ILE B 57 -3.723 -6.515 -9.444 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -2.200 -4.193 -8.212 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -1.830 -4.862 -9.789 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -4.930 -5.210 -7.732 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -4.549 -6.856 -7.174 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -3.587 -5.475 -6.595 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -3.255 -2.878 -9.991 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -4.115 -4.326 -10.568 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -4.491 -3.646 -8.966 1.00 0.00 H new ATOM 2223 N ALA B 58 -2.007 -7.536 -5.884 1.00 0.00 N ATOM 2224 CA ALA B 58 -1.522 -7.472 -4.513 1.00 0.00 C ATOM 2225 C ALA B 58 -0.120 -8.063 -4.422 1.00 0.00 C ATOM 2226 O ALA B 58 0.729 -7.570 -3.676 1.00 0.00 O ATOM 2227 CB ALA B 58 -2.474 -8.205 -3.581 1.00 0.00 C ATOM 0 H ALA B 58 -2.759 -8.208 -6.034 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.477 -6.427 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.098 -8.149 -2.559 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -3.460 -7.743 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -2.547 -9.250 -3.884 1.00 0.00 H new ATOM 2233 N GLU B 59 0.113 -9.124 -5.189 1.00 0.00 N ATOM 2234 CA GLU B 59 1.431 -9.742 -5.272 1.00 0.00 C ATOM 2235 C GLU B 59 2.408 -8.785 -5.938 1.00 0.00 C ATOM 2236 O GLU B 59 3.519 -8.576 -5.450 1.00 0.00 O ATOM 2237 CB GLU B 59 1.360 -11.052 -6.058 1.00 0.00 C ATOM 2238 CG GLU B 59 2.697 -11.761 -6.178 1.00 0.00 C ATOM 2239 CD GLU B 59 2.625 -12.994 -7.047 1.00 0.00 C ATOM 2240 OE1 GLU B 59 2.782 -12.869 -8.280 1.00 0.00 O ATOM 2241 OE2 GLU B 59 2.410 -14.097 -6.504 1.00 0.00 O ATOM 0 H GLU B 59 -0.598 -9.575 -5.764 1.00 0.00 H new ATOM 0 HA GLU B 59 1.778 -9.963 -4.263 1.00 0.00 H new ATOM 0 HB2 GLU B 59 0.647 -11.719 -5.573 1.00 0.00 H new ATOM 0 HB3 GLU B 59 0.976 -10.846 -7.057 1.00 0.00 H new ATOM 0 HG2 GLU B 59 3.433 -11.072 -6.592 1.00 0.00 H new ATOM 0 HG3 GLU B 59 3.046 -12.041 -5.184 1.00 0.00 H new ATOM 2248 N LYS B 60 1.976 -8.207 -7.058 1.00 0.00 N ATOM 2249 CA LYS B 60 2.751 -7.181 -7.751 1.00 0.00 C ATOM 2250 C LYS B 60 3.153 -6.076 -6.780 1.00 0.00 C ATOM 2251 O LYS B 60 4.315 -5.672 -6.730 1.00 0.00 O ATOM 2252 CB LYS B 60 1.943 -6.576 -8.903 1.00 0.00 C ATOM 2253 CG LYS B 60 1.604 -7.560 -10.013 1.00 0.00 C ATOM 2254 CD LYS B 60 0.792 -6.895 -11.117 1.00 0.00 C ATOM 2255 CE LYS B 60 1.576 -5.779 -11.791 1.00 0.00 C ATOM 2256 NZ LYS B 60 0.781 -5.090 -12.842 1.00 0.00 N ATOM 0 H LYS B 60 1.088 -8.434 -7.506 1.00 0.00 H new ATOM 0 HA LYS B 60 3.647 -7.651 -8.156 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.017 -6.163 -8.504 1.00 0.00 H new ATOM 0 HB3 LYS B 60 2.505 -5.745 -9.329 1.00 0.00 H new ATOM 0 HG2 LYS B 60 2.523 -7.969 -10.432 1.00 0.00 H new ATOM 0 HG3 LYS B 60 1.042 -8.397 -9.600 1.00 0.00 H new ATOM 0 HD2 LYS B 60 0.507 -7.640 -11.859 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -0.131 -6.492 -10.699 1.00 0.00 H new ATOM 0 HE2 LYS B 60 1.890 -5.053 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS B 60 2.482 -6.191 -12.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 1.407 -4.483 -13.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 0.334 -5.798 -13.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 0.046 -4.507 -12.394 1.00 0.00 H new ATOM 2270 N PHE B 61 2.176 -5.604 -6.013 1.00 0.00 N ATOM 2271 CA PHE B 61 2.404 -4.592 -4.989 1.00 0.00 C ATOM 2272 C PHE B 61 3.509 -5.029 -4.033 1.00 0.00 C ATOM 2273 O PHE B 61 4.521 -4.347 -3.885 1.00 0.00 O ATOM 2274 CB PHE B 61 1.104 -4.341 -4.210 1.00 0.00 C ATOM 2275 CG PHE B 61 1.219 -3.322 -3.107 1.00 0.00 C ATOM 2276 CD1 PHE B 61 1.590 -3.697 -1.826 1.00 0.00 C ATOM 2277 CD2 PHE B 61 0.932 -1.989 -3.349 1.00 0.00 C ATOM 2278 CE1 PHE B 61 1.684 -2.763 -0.814 1.00 0.00 C ATOM 2279 CE2 PHE B 61 1.018 -1.051 -2.341 1.00 0.00 C ATOM 2280 CZ PHE B 61 1.392 -1.439 -1.071 1.00 0.00 C ATOM 0 H PHE B 61 1.206 -5.912 -6.084 1.00 0.00 H new ATOM 0 HA PHE B 61 2.718 -3.669 -5.476 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.334 -4.014 -4.909 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.765 -5.284 -3.781 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.809 -4.734 -1.616 1.00 0.00 H new ATOM 0 HD2 PHE B 61 0.637 -1.679 -4.341 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.986 -3.068 0.177 1.00 0.00 H new ATOM 0 HE2 PHE B 61 0.793 -0.015 -2.546 1.00 0.00 H new ATOM 0 HZ PHE B 61 1.456 -0.708 -0.279 1.00 0.00 H new ATOM 2290 N ALA B 62 3.304 -6.178 -3.398 1.00 0.00 N ATOM 2291 CA ALA B 62 4.237 -6.699 -2.405 1.00 0.00 C ATOM 2292 C ALA B 62 5.643 -6.867 -2.976 1.00 0.00 C ATOM 2293 O ALA B 62 6.627 -6.444 -2.365 1.00 0.00 O ATOM 2294 CB ALA B 62 3.725 -8.025 -1.862 1.00 0.00 C ATOM 0 H ALA B 62 2.490 -6.772 -3.556 1.00 0.00 H new ATOM 0 HA ALA B 62 4.301 -5.973 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA B 62 4.426 -8.410 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.750 -7.876 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA B 62 3.632 -8.741 -2.679 1.00 0.00 H new ATOM 2300 N GLN B 63 5.735 -7.466 -4.155 1.00 0.00 N ATOM 2301 CA GLN B 63 7.025 -7.741 -4.770 1.00 0.00 C ATOM 2302 C GLN B 63 7.732 -6.454 -5.184 1.00 0.00 C ATOM 2303 O GLN B 63 8.924 -6.292 -4.931 1.00 0.00 O ATOM 2304 CB GLN B 63 6.860 -8.665 -5.976 1.00 0.00 C ATOM 2305 CG GLN B 63 6.379 -10.057 -5.605 1.00 0.00 C ATOM 2306 CD GLN B 63 6.213 -10.957 -6.809 1.00 0.00 C ATOM 2307 OE1 GLN B 63 5.916 -10.493 -7.912 1.00 0.00 O ATOM 2308 NE2 GLN B 63 6.408 -12.250 -6.608 1.00 0.00 N ATOM 0 H GLN B 63 4.931 -7.771 -4.704 1.00 0.00 H new ATOM 0 HA GLN B 63 7.645 -8.240 -4.025 1.00 0.00 H new ATOM 0 HB2 GLN B 63 6.152 -8.217 -6.674 1.00 0.00 H new ATOM 0 HB3 GLN B 63 7.814 -8.745 -6.497 1.00 0.00 H new ATOM 0 HG2 GLN B 63 7.089 -10.510 -4.913 1.00 0.00 H new ATOM 0 HG3 GLN B 63 5.427 -9.980 -5.080 1.00 0.00 H new ATOM 0 HE21 GLN B 63 6.652 -12.590 -5.678 1.00 0.00 H new ATOM 0 HE22 GLN B 63 6.314 -12.906 -7.383 1.00 0.00 H new ATOM 2317 N ALA B 64 6.998 -5.538 -5.809 1.00 0.00 N ATOM 2318 CA ALA B 64 7.573 -4.265 -6.232 1.00 0.00 C ATOM 2319 C ALA B 64 8.018 -3.455 -5.022 1.00 0.00 C ATOM 2320 O ALA B 64 9.053 -2.784 -5.047 1.00 0.00 O ATOM 2321 CB ALA B 64 6.572 -3.476 -7.064 1.00 0.00 C ATOM 0 H ALA B 64 6.009 -5.652 -6.033 1.00 0.00 H new ATOM 0 HA ALA B 64 8.447 -4.470 -6.851 1.00 0.00 H new ATOM 0 HB1 ALA B 64 7.019 -2.530 -7.370 1.00 0.00 H new ATOM 0 HB2 ALA B 64 6.300 -4.052 -7.949 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.679 -3.280 -6.470 1.00 0.00 H new ATOM 2327 N LEU B 65 7.232 -3.553 -3.959 1.00 0.00 N ATOM 2328 CA LEU B 65 7.527 -2.890 -2.700 1.00 0.00 C ATOM 2329 C LEU B 65 8.857 -3.379 -2.126 1.00 0.00 C ATOM 2330 O LEU B 65 9.718 -2.584 -1.762 1.00 0.00 O ATOM 2331 CB LEU B 65 6.388 -3.159 -1.708 1.00 0.00 C ATOM 2332 CG LEU B 65 6.569 -2.584 -0.305 1.00 0.00 C ATOM 2333 CD1 LEU B 65 6.795 -1.089 -0.373 1.00 0.00 C ATOM 2334 CD2 LEU B 65 5.355 -2.894 0.558 1.00 0.00 C ATOM 0 H LEU B 65 6.369 -4.097 -3.947 1.00 0.00 H new ATOM 0 HA LEU B 65 7.612 -1.818 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.466 -2.757 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.255 -4.237 -1.622 1.00 0.00 H new ATOM 0 HG LEU B 65 7.445 -3.049 0.148 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.922 -0.694 0.635 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.690 -0.883 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.935 -0.612 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.501 -2.477 1.554 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.466 -2.454 0.107 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.227 -3.974 0.632 1.00 0.00 H new ATOM 2346 N MET B 66 9.028 -4.693 -2.076 1.00 0.00 N ATOM 2347 CA MET B 66 10.210 -5.282 -1.457 1.00 0.00 C ATOM 2348 C MET B 66 11.386 -5.328 -2.424 1.00 0.00 C ATOM 2349 O MET B 66 12.519 -5.590 -2.024 1.00 0.00 O ATOM 2350 CB MET B 66 9.880 -6.674 -0.925 1.00 0.00 C ATOM 2351 CG MET B 66 8.777 -6.637 0.115 1.00 0.00 C ATOM 2352 SD MET B 66 8.282 -8.261 0.708 1.00 0.00 S ATOM 2353 CE MET B 66 6.910 -7.782 1.756 1.00 0.00 C ATOM 0 H MET B 66 8.366 -5.370 -2.455 1.00 0.00 H new ATOM 0 HA MET B 66 10.509 -4.649 -0.622 1.00 0.00 H new ATOM 0 HB2 MET B 66 9.577 -7.316 -1.752 1.00 0.00 H new ATOM 0 HB3 MET B 66 10.775 -7.117 -0.489 1.00 0.00 H new ATOM 0 HG2 MET B 66 9.110 -6.037 0.962 1.00 0.00 H new ATOM 0 HG3 MET B 66 7.907 -6.135 -0.309 1.00 0.00 H new ATOM 0 HE1 MET B 66 6.474 -8.670 2.213 1.00 0.00 H new ATOM 0 HE2 MET B 66 7.266 -7.109 2.536 1.00 0.00 H new ATOM 0 HE3 MET B 66 6.154 -7.275 1.157 1.00 0.00 H new ATOM 2363 N SER B 67 11.118 -5.071 -3.698 1.00 0.00 N ATOM 2364 CA SER B 67 12.180 -4.934 -4.683 1.00 0.00 C ATOM 2365 C SER B 67 12.767 -3.527 -4.597 1.00 0.00 C ATOM 2366 O SER B 67 13.935 -3.301 -4.919 1.00 0.00 O ATOM 2367 CB SER B 67 11.645 -5.211 -6.095 1.00 0.00 C ATOM 2368 OG SER B 67 12.692 -5.229 -7.053 1.00 0.00 O ATOM 0 H SER B 67 10.176 -4.954 -4.072 1.00 0.00 H new ATOM 0 HA SER B 67 12.962 -5.663 -4.473 1.00 0.00 H new ATOM 0 HB2 SER B 67 11.123 -6.168 -6.106 1.00 0.00 H new ATOM 0 HB3 SER B 67 10.916 -4.447 -6.365 1.00 0.00 H new ATOM 0 HG SER B 67 12.413 -5.753 -7.833 1.00 0.00 H new ATOM 2374 N SER B 68 11.943 -2.589 -4.138 1.00 0.00 N ATOM 2375 CA SER B 68 12.364 -1.205 -3.959 1.00 0.00 C ATOM 2376 C SER B 68 12.727 -0.950 -2.498 1.00 0.00 C ATOM 2377 O SER B 68 12.958 0.188 -2.080 1.00 0.00 O ATOM 2378 CB SER B 68 11.246 -0.265 -4.414 1.00 0.00 C ATOM 2379 OG SER B 68 10.821 -0.599 -5.727 1.00 0.00 O ATOM 0 H SER B 68 10.972 -2.766 -3.882 1.00 0.00 H new ATOM 0 HA SER B 68 13.249 -1.015 -4.566 1.00 0.00 H new ATOM 0 HB2 SER B 68 10.404 -0.331 -3.725 1.00 0.00 H new ATOM 0 HB3 SER B 68 11.597 0.766 -4.390 1.00 0.00 H new ATOM 0 HG SER B 68 10.194 -1.351 -5.686 1.00 0.00 H new ATOM 2385 N LEU B 69 12.781 -2.031 -1.734 1.00 0.00 N ATOM 2386 CA LEU B 69 13.147 -1.972 -0.330 1.00 0.00 C ATOM 2387 C LEU B 69 14.658 -1.839 -0.205 1.00 0.00 C ATOM 2388 O LEU B 69 15.396 -2.748 -0.584 1.00 0.00 O ATOM 2389 CB LEU B 69 12.668 -3.243 0.385 1.00 0.00 C ATOM 2390 CG LEU B 69 12.840 -3.251 1.902 1.00 0.00 C ATOM 2391 CD1 LEU B 69 11.916 -2.234 2.541 1.00 0.00 C ATOM 2392 CD2 LEU B 69 12.574 -4.641 2.458 1.00 0.00 C ATOM 0 H LEU B 69 12.573 -2.971 -2.071 1.00 0.00 H new ATOM 0 HA LEU B 69 12.672 -1.107 0.134 1.00 0.00 H new ATOM 0 HB2 LEU B 69 11.613 -3.391 0.156 1.00 0.00 H new ATOM 0 HB3 LEU B 69 13.207 -4.096 -0.028 1.00 0.00 H new ATOM 0 HG LEU B 69 13.869 -2.978 2.138 1.00 0.00 H new ATOM 0 HD11 LEU B 69 12.049 -2.251 3.623 1.00 0.00 H new ATOM 0 HD12 LEU B 69 12.151 -1.240 2.162 1.00 0.00 H new ATOM 0 HD13 LEU B 69 10.882 -2.479 2.299 1.00 0.00 H new ATOM 0 HD21 LEU B 69 12.701 -4.630 3.541 1.00 0.00 H new ATOM 0 HD22 LEU B 69 11.555 -4.941 2.215 1.00 0.00 H new ATOM 0 HD23 LEU B 69 13.276 -5.349 2.018 1.00 0.00 H new ATOM 2404 N GLU B 70 15.118 -0.705 0.300 1.00 0.00 N ATOM 2405 CA GLU B 70 16.545 -0.460 0.424 1.00 0.00 C ATOM 2406 C GLU B 70 17.117 -1.232 1.605 1.00 0.00 C ATOM 2407 O GLU B 70 17.009 -0.807 2.759 1.00 0.00 O ATOM 2408 CB GLU B 70 16.834 1.036 0.578 1.00 0.00 C ATOM 2409 CG GLU B 70 18.319 1.376 0.572 1.00 0.00 C ATOM 2410 CD GLU B 70 18.984 1.088 -0.761 1.00 0.00 C ATOM 2411 OE1 GLU B 70 19.220 -0.100 -1.075 1.00 0.00 O ATOM 2412 OE2 GLU B 70 19.270 2.047 -1.506 1.00 0.00 O ATOM 0 H GLU B 70 14.526 0.057 0.629 1.00 0.00 H new ATOM 0 HA GLU B 70 17.027 -0.808 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU B 70 16.343 1.577 -0.231 1.00 0.00 H new ATOM 0 HB3 GLU B 70 16.393 1.388 1.511 1.00 0.00 H new ATOM 0 HG2 GLU B 70 18.446 2.431 0.816 1.00 0.00 H new ATOM 0 HG3 GLU B 70 18.821 0.805 1.354 1.00 0.00 H new ATOM 2419 N THR B 71 17.691 -2.386 1.315 1.00 0.00 N ATOM 2420 CA THR B 71 18.355 -3.181 2.327 1.00 0.00 C ATOM 2421 C THR B 71 19.843 -3.277 2.020 1.00 0.00 C ATOM 2422 O THR B 71 20.260 -4.072 1.174 1.00 0.00 O ATOM 2423 CB THR B 71 17.749 -4.597 2.425 1.00 0.00 C ATOM 2424 OG1 THR B 71 17.643 -5.182 1.119 1.00 0.00 O ATOM 2425 CG2 THR B 71 16.378 -4.557 3.083 1.00 0.00 C ATOM 0 H THR B 71 17.709 -2.794 0.380 1.00 0.00 H new ATOM 0 HA THR B 71 18.210 -2.686 3.287 1.00 0.00 H new ATOM 0 HB THR B 71 18.411 -5.206 3.040 1.00 0.00 H new ATOM 0 HG1 THR B 71 18.478 -5.037 0.627 1.00 0.00 H new ATOM 0 HG21 THR B 71 15.972 -5.567 3.140 1.00 0.00 H new ATOM 0 HG22 THR B 71 16.469 -4.145 4.088 1.00 0.00 H new ATOM 0 HG23 THR B 71 15.709 -3.930 2.493 1.00 0.00 H new ATOM 2433 N PRO B 72 20.660 -2.433 2.670 1.00 0.00 N ATOM 2434 CA PRO B 72 22.109 -2.431 2.476 1.00 0.00 C ATOM 2435 C PRO B 72 22.743 -3.721 2.974 1.00 0.00 C ATOM 2436 O PRO B 72 22.951 -3.905 4.175 1.00 0.00 O ATOM 2437 CB PRO B 72 22.594 -1.231 3.306 1.00 0.00 C ATOM 2438 CG PRO B 72 21.370 -0.426 3.591 1.00 0.00 C ATOM 2439 CD PRO B 72 20.237 -1.408 3.634 1.00 0.00 C ATOM 0 HA PRO B 72 22.382 -2.358 1.423 1.00 0.00 H new ATOM 0 HB2 PRO B 72 23.072 -1.559 4.229 1.00 0.00 H new ATOM 0 HB3 PRO B 72 23.331 -0.645 2.756 1.00 0.00 H new ATOM 0 HG2 PRO B 72 21.463 0.106 4.538 1.00 0.00 H new ATOM 0 HG3 PRO B 72 21.207 0.325 2.818 1.00 0.00 H new ATOM 0 HD2 PRO B 72 20.099 -1.824 4.632 1.00 0.00 H new ATOM 0 HD3 PRO B 72 19.291 -0.948 3.347 1.00 0.00 H new ATOM 2447 N LYS B 73 23.017 -4.627 2.049 1.00 0.00 N ATOM 2448 CA LYS B 73 23.599 -5.912 2.395 1.00 0.00 C ATOM 2449 C LYS B 73 24.933 -6.093 1.698 1.00 0.00 C ATOM 2450 O LYS B 73 25.151 -5.573 0.602 1.00 0.00 O ATOM 2451 CB LYS B 73 22.653 -7.052 2.011 1.00 0.00 C ATOM 2452 CG LYS B 73 21.289 -6.963 2.673 1.00 0.00 C ATOM 2453 CD LYS B 73 20.433 -8.183 2.369 1.00 0.00 C ATOM 2454 CE LYS B 73 21.026 -9.451 2.970 1.00 0.00 C ATOM 2455 NZ LYS B 73 21.174 -9.358 4.450 1.00 0.00 N ATOM 0 H LYS B 73 22.845 -4.495 1.052 1.00 0.00 H new ATOM 0 HA LYS B 73 23.757 -5.935 3.473 1.00 0.00 H new ATOM 0 HB2 LYS B 73 22.522 -7.055 0.929 1.00 0.00 H new ATOM 0 HB3 LYS B 73 23.116 -8.002 2.279 1.00 0.00 H new ATOM 0 HG2 LYS B 73 21.414 -6.866 3.751 1.00 0.00 H new ATOM 0 HG3 LYS B 73 20.776 -6.064 2.330 1.00 0.00 H new ATOM 0 HD2 LYS B 73 19.428 -8.030 2.762 1.00 0.00 H new ATOM 0 HD3 LYS B 73 20.339 -8.302 1.290 1.00 0.00 H new ATOM 0 HE2 LYS B 73 20.389 -10.300 2.723 1.00 0.00 H new ATOM 0 HE3 LYS B 73 22.000 -9.642 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 21.335 -10.307 4.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 21.983 -8.746 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 20.308 -8.955 4.861 1.00 0.00 H new ATOM 2469 N THR B 74 25.820 -6.828 2.337 1.00 0.00 N ATOM 2470 CA THR B 74 27.136 -7.071 1.790 1.00 0.00 C ATOM 2471 C THR B 74 27.109 -8.200 0.768 1.00 0.00 C ATOM 2472 O THR B 74 26.334 -9.154 0.892 1.00 0.00 O ATOM 2473 CB THR B 74 28.132 -7.405 2.910 1.00 0.00 C ATOM 2474 OG1 THR B 74 27.529 -8.308 3.851 1.00 0.00 O ATOM 2475 CG2 THR B 74 28.583 -6.140 3.622 1.00 0.00 C ATOM 0 H THR B 74 25.650 -7.269 3.241 1.00 0.00 H new ATOM 0 HA THR B 74 27.458 -6.159 1.287 1.00 0.00 H new ATOM 0 HB THR B 74 29.005 -7.882 2.464 1.00 0.00 H new ATOM 0 HG1 THR B 74 28.171 -8.517 4.561 1.00 0.00 H new ATOM 0 HG21 THR B 74 29.288 -6.399 4.412 1.00 0.00 H new ATOM 0 HG22 THR B 74 29.066 -5.473 2.908 1.00 0.00 H new ATOM 0 HG23 THR B 74 27.718 -5.640 4.057 1.00 0.00 H new ATOM 2483 N HIS B 75 27.951 -8.079 -0.248 1.00 0.00 N ATOM 2484 CA HIS B 75 28.064 -9.104 -1.273 1.00 0.00 C ATOM 2485 C HIS B 75 29.076 -10.150 -0.820 1.00 0.00 C ATOM 2486 O HIS B 75 29.240 -10.368 0.380 1.00 0.00 O ATOM 2487 CB HIS B 75 28.456 -8.475 -2.626 1.00 0.00 C ATOM 2488 CG HIS B 75 29.772 -7.743 -2.640 1.00 0.00 C ATOM 2489 ND1 HIS B 75 29.905 -6.418 -2.286 1.00 0.00 N ATOM 2490 CD2 HIS B 75 31.012 -8.157 -2.996 1.00 0.00 C ATOM 2491 CE1 HIS B 75 31.168 -6.052 -2.427 1.00 0.00 C ATOM 2492 NE2 HIS B 75 31.858 -7.090 -2.856 1.00 0.00 N ATOM 0 H HIS B 75 28.568 -7.278 -0.384 1.00 0.00 H new ATOM 0 HA HIS B 75 27.100 -9.593 -1.416 1.00 0.00 H new ATOM 0 HB2 HIS B 75 28.490 -9.263 -3.378 1.00 0.00 H new ATOM 0 HB3 HIS B 75 27.670 -7.782 -2.926 1.00 0.00 H new ATOM 0 HD2 HIS B 75 31.283 -9.148 -3.329 1.00 0.00 H new ATOM 0 HE1 HIS B 75 31.567 -5.069 -2.225 1.00 0.00 H new ATOM 0 HE2 HIS B 75 32.859 -7.097 -3.052 1.00 0.00 H new ATOM 2501 N LEU B 76 29.728 -10.824 -1.756 1.00 0.00 N ATOM 2502 CA LEU B 76 30.782 -11.761 -1.400 1.00 0.00 C ATOM 2503 C LEU B 76 31.987 -10.996 -0.853 1.00 0.00 C ATOM 2504 O LEU B 76 32.878 -10.600 -1.602 1.00 0.00 O ATOM 2505 CB LEU B 76 31.188 -12.602 -2.613 1.00 0.00 C ATOM 2506 CG LEU B 76 32.117 -13.778 -2.309 1.00 0.00 C ATOM 2507 CD1 LEU B 76 31.443 -14.750 -1.356 1.00 0.00 C ATOM 2508 CD2 LEU B 76 32.519 -14.480 -3.597 1.00 0.00 C ATOM 0 H LEU B 76 29.548 -10.741 -2.757 1.00 0.00 H new ATOM 0 HA LEU B 76 30.409 -12.436 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU B 76 30.285 -12.986 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU B 76 31.677 -11.952 -3.339 1.00 0.00 H new ATOM 0 HG LEU B 76 33.019 -13.397 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU B 76 32.116 -15.582 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU B 76 31.201 -14.238 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU B 76 30.527 -15.129 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU B 76 33.180 -15.315 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU B 76 31.628 -14.852 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU B 76 33.038 -13.776 -4.248 1.00 0.00 H new ATOM 2520 N GLU B 77 31.980 -10.759 0.452 1.00 0.00 N ATOM 2521 CA GLU B 77 33.022 -9.979 1.099 1.00 0.00 C ATOM 2522 C GLU B 77 34.234 -10.853 1.385 1.00 0.00 C ATOM 2523 O GLU B 77 35.377 -10.463 1.128 1.00 0.00 O ATOM 2524 CB GLU B 77 32.510 -9.383 2.413 1.00 0.00 C ATOM 2525 CG GLU B 77 31.263 -8.526 2.270 1.00 0.00 C ATOM 2526 CD GLU B 77 31.503 -7.252 1.486 1.00 0.00 C ATOM 2527 OE1 GLU B 77 32.271 -6.388 1.968 1.00 0.00 O ATOM 2528 OE2 GLU B 77 30.909 -7.098 0.404 1.00 0.00 O ATOM 0 H GLU B 77 31.257 -11.100 1.086 1.00 0.00 H new ATOM 0 HA GLU B 77 33.307 -9.171 0.426 1.00 0.00 H new ATOM 0 HB2 GLU B 77 32.300 -10.195 3.109 1.00 0.00 H new ATOM 0 HB3 GLU B 77 33.302 -8.780 2.857 1.00 0.00 H new ATOM 0 HG2 GLU B 77 30.484 -9.108 1.777 1.00 0.00 H new ATOM 0 HG3 GLU B 77 30.890 -8.270 3.262 1.00 0.00 H new ATOM 2535 N HIS B 78 33.975 -12.039 1.913 1.00 0.00 N ATOM 2536 CA HIS B 78 35.038 -12.943 2.323 1.00 0.00 C ATOM 2537 C HIS B 78 34.901 -14.285 1.628 1.00 0.00 C ATOM 2538 O HIS B 78 33.811 -14.675 1.211 1.00 0.00 O ATOM 2539 CB HIS B 78 35.018 -13.136 3.842 1.00 0.00 C ATOM 2540 CG HIS B 78 35.349 -11.892 4.607 1.00 0.00 C ATOM 2541 ND1 HIS B 78 34.394 -11.078 5.182 1.00 0.00 N ATOM 2542 CD2 HIS B 78 36.543 -11.319 4.889 1.00 0.00 C ATOM 2543 CE1 HIS B 78 34.987 -10.062 5.783 1.00 0.00 C ATOM 2544 NE2 HIS B 78 36.291 -10.186 5.619 1.00 0.00 N ATOM 0 H HIS B 78 33.033 -12.399 2.068 1.00 0.00 H new ATOM 0 HA HIS B 78 35.991 -12.499 2.035 1.00 0.00 H new ATOM 0 HB2 HIS B 78 34.030 -13.486 4.143 1.00 0.00 H new ATOM 0 HB3 HIS B 78 35.729 -13.918 4.110 1.00 0.00 H new ATOM 0 HD2 HIS B 78 37.515 -11.687 4.593 1.00 0.00 H new ATOM 0 HE1 HIS B 78 34.490 -9.266 6.317 1.00 0.00 H new ATOM 0 HE2 HIS B 78 36.997 -9.543 5.977 1.00 0.00 H new ATOM 2553 N HIS B 79 36.014 -14.983 1.502 1.00 0.00 N ATOM 2554 CA HIS B 79 36.033 -16.298 0.889 1.00 0.00 C ATOM 2555 C HIS B 79 37.136 -17.138 1.513 1.00 0.00 C ATOM 2556 O HIS B 79 38.296 -16.721 1.562 1.00 0.00 O ATOM 2557 CB HIS B 79 36.238 -16.188 -0.624 1.00 0.00 C ATOM 2558 CG HIS B 79 35.209 -16.932 -1.416 1.00 0.00 C ATOM 2559 ND1 HIS B 79 33.909 -17.186 -1.150 1.00 0.00 N flip ATOM 2560 CD2 HIS B 79 35.462 -17.499 -2.645 1.00 0.00 C flip ATOM 2561 CE1 HIS B 79 33.404 -17.892 -2.210 1.00 0.00 C flip ATOM 2562 NE2 HIS B 79 34.361 -18.068 -3.101 1.00 0.00 N flip ATOM 0 H HIS B 79 36.926 -14.656 1.820 1.00 0.00 H new ATOM 0 HA HIS B 79 35.072 -16.781 1.066 1.00 0.00 H new ATOM 0 HB2 HIS B 79 36.217 -15.137 -0.911 1.00 0.00 H new ATOM 0 HB3 HIS B 79 37.227 -16.568 -0.878 1.00 0.00 H new ATOM 0 HD2 HIS B 79 36.413 -17.481 -3.157 1.00 0.00 H new ATOM 0 HE1 HIS B 79 32.388 -18.247 -2.301 1.00 0.00 H new ATOM 0 HE2 HIS B 79 34.267 -18.559 -3.990 1.00 0.00 H new ATOM 2571 N HIS B 80 36.768 -18.309 2.004 1.00 0.00 N ATOM 2572 CA HIS B 80 37.706 -19.177 2.698 1.00 0.00 C ATOM 2573 C HIS B 80 38.398 -20.109 1.713 1.00 0.00 C ATOM 2574 O HIS B 80 37.782 -21.032 1.186 1.00 0.00 O ATOM 2575 CB HIS B 80 36.981 -19.997 3.770 1.00 0.00 C ATOM 2576 CG HIS B 80 37.900 -20.753 4.683 1.00 0.00 C ATOM 2577 ND1 HIS B 80 38.470 -21.966 4.359 1.00 0.00 N ATOM 2578 CD2 HIS B 80 38.343 -20.455 5.926 1.00 0.00 C ATOM 2579 CE1 HIS B 80 39.219 -22.380 5.365 1.00 0.00 C ATOM 2580 NE2 HIS B 80 39.160 -21.482 6.328 1.00 0.00 N ATOM 0 H HIS B 80 35.821 -18.683 1.935 1.00 0.00 H new ATOM 0 HA HIS B 80 38.459 -18.553 3.179 1.00 0.00 H new ATOM 0 HB2 HIS B 80 36.361 -19.328 4.367 1.00 0.00 H new ATOM 0 HB3 HIS B 80 36.309 -20.703 3.281 1.00 0.00 H new ATOM 0 HD2 HIS B 80 38.099 -19.571 6.497 1.00 0.00 H new ATOM 0 HE1 HIS B 80 39.785 -23.300 5.394 1.00 0.00 H new ATOM 0 HE2 HIS B 80 39.642 -21.541 7.225 1.00 0.00 H new ATOM 2589 N HIS B 81 39.667 -19.851 1.453 1.00 0.00 N ATOM 2590 CA HIS B 81 40.465 -20.723 0.608 1.00 0.00 C ATOM 2591 C HIS B 81 41.685 -21.219 1.378 1.00 0.00 C ATOM 2592 O HIS B 81 42.090 -22.370 1.239 1.00 0.00 O ATOM 2593 CB HIS B 81 40.897 -19.994 -0.669 1.00 0.00 C ATOM 2594 CG HIS B 81 41.675 -20.856 -1.616 1.00 0.00 C ATOM 2595 ND1 HIS B 81 43.014 -20.671 -1.871 1.00 0.00 N ATOM 2596 CD2 HIS B 81 41.294 -21.913 -2.370 1.00 0.00 C ATOM 2597 CE1 HIS B 81 43.425 -21.577 -2.738 1.00 0.00 C ATOM 2598 NE2 HIS B 81 42.401 -22.343 -3.057 1.00 0.00 N ATOM 0 H HIS B 81 40.169 -19.041 1.816 1.00 0.00 H new ATOM 0 HA HIS B 81 39.857 -21.580 0.319 1.00 0.00 H new ATOM 0 HB2 HIS B 81 40.011 -19.616 -1.179 1.00 0.00 H new ATOM 0 HB3 HIS B 81 41.502 -19.129 -0.397 1.00 0.00 H new ATOM 0 HD2 HIS B 81 40.303 -22.339 -2.421 1.00 0.00 H new ATOM 0 HE1 HIS B 81 44.430 -21.674 -3.121 1.00 0.00 H new ATOM 0 HE2 HIS B 81 42.427 -23.128 -3.708 1.00 0.00 H new ATOM 2607 N HIS B 82 42.261 -20.341 2.192 1.00 0.00 N ATOM 2608 CA HIS B 82 43.400 -20.706 3.027 1.00 0.00 C ATOM 2609 C HIS B 82 43.449 -19.852 4.290 1.00 0.00 C ATOM 2610 O HIS B 82 43.679 -18.643 4.230 1.00 0.00 O ATOM 2611 CB HIS B 82 44.716 -20.565 2.250 1.00 0.00 C ATOM 2612 CG HIS B 82 45.935 -20.838 3.083 1.00 0.00 C ATOM 2613 ND1 HIS B 82 46.942 -19.917 3.267 1.00 0.00 N ATOM 2614 CD2 HIS B 82 46.296 -21.934 3.795 1.00 0.00 C ATOM 2615 CE1 HIS B 82 47.868 -20.431 4.057 1.00 0.00 C ATOM 2616 NE2 HIS B 82 47.500 -21.654 4.394 1.00 0.00 N ATOM 0 H HIS B 82 41.958 -19.372 2.291 1.00 0.00 H new ATOM 0 HA HIS B 82 43.274 -21.749 3.317 1.00 0.00 H new ATOM 0 HB2 HIS B 82 44.704 -21.250 1.403 1.00 0.00 H new ATOM 0 HB3 HIS B 82 44.782 -19.556 1.843 1.00 0.00 H new ATOM 0 HD2 HIS B 82 45.740 -22.856 3.876 1.00 0.00 H new ATOM 0 HE1 HIS B 82 48.773 -19.935 4.374 1.00 0.00 H new ATOM 0 HE2 HIS B 82 48.024 -22.286 4.999 1.00 0.00 H new ATOM 2625 N HIS B 83 43.221 -20.486 5.425 1.00 0.00 N ATOM 2626 CA HIS B 83 43.356 -19.826 6.714 1.00 0.00 C ATOM 2627 C HIS B 83 44.544 -20.418 7.462 1.00 0.00 C ATOM 2628 O HIS B 83 45.650 -19.857 7.358 1.00 0.00 O ATOM 2629 CB HIS B 83 42.072 -19.976 7.541 1.00 0.00 C ATOM 2630 CG HIS B 83 42.116 -19.280 8.873 1.00 0.00 C ATOM 2631 ND1 HIS B 83 41.567 -18.033 9.093 1.00 0.00 N ATOM 2632 CD2 HIS B 83 42.643 -19.667 10.062 1.00 0.00 C ATOM 2633 CE1 HIS B 83 41.761 -17.684 10.352 1.00 0.00 C ATOM 2634 NE2 HIS B 83 42.409 -18.657 10.959 1.00 0.00 N ATOM 2635 OXT HIS B 83 44.367 -21.449 8.142 1.00 0.00 O ATOM 0 H HIS B 83 42.939 -21.465 5.482 1.00 0.00 H new ATOM 0 HA HIS B 83 43.526 -18.762 6.551 1.00 0.00 H new ATOM 0 HB2 HIS B 83 41.234 -19.584 6.965 1.00 0.00 H new ATOM 0 HB3 HIS B 83 41.879 -21.036 7.703 1.00 0.00 H new ATOM 0 HD2 HIS B 83 43.152 -20.598 10.264 1.00 0.00 H new ATOM 0 HE1 HIS B 83 41.442 -16.758 10.807 1.00 0.00 H new ATOM 0 HE2 HIS B 83 42.691 -18.659 11.939 1.00 0.00 H new TER 2644 HIS B 83