USER MOD reduce.3.24.130724 H: found=0, std=0, add=1180, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1172 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 17 HIS :FLIP no HE2:sc= -9.34! C(o=-13!,f=-10!) USER MOD Set 1.2: B 58 THR OG1 : rot 137:sc= -0.994 USER MOD Set 2.1: A 17 HIS :FLIP no HD1:sc= -7.17! C(o=-11!,f=-8!) USER MOD Set 2.2: A 58 THR OG1 : rot 132:sc= -0.837 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0 (180deg=-0.0352) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -2.25! C(o=-2.2!,f=-7.9!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.657 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -24:sc= -0.527 USER MOD Single : A 10 GLN : amide:sc= -0.882 K(o=-0.88,f=-2.4!) USER MOD Single : A 13 CYS SG : rot -127:sc= -2.19 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -4.21 K(o=-4.2,f=-5!) USER MOD Single : A 25 GLN : amide:sc= -0.826 K(o=-0.83,f=-2.1!) USER MOD Single : A 40 GLN :FLIP amide:sc= -6.91! C(o=-9.6!,f=-6.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 78:sc= 1.28 USER MOD Single : A 49 THR OG1 : rot 93:sc= 0.481 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.0793 F(o=-4.3!,f=-0.079) USER MOD Single : A 59 HIS : no HD1:sc= -0.355 X(o=-0.36,f=-0.53) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.083) USER MOD Single : A 67 LYS NZ :NH3+ -153:sc= -0.0833 (180deg=-1.05) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -58:sc= 0.102 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 150:sc= 0 (180deg=-0.0401) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 ASN : amide:sc= -2.21 K(o=-2.2,f=-8.5!) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.668 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 173:sc= -0.414 USER MOD Single : B 10 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.6!) USER MOD Single : B 13 CYS SG : rot -137:sc= -0.574 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -4.06 K(o=-4.1,f=-4.9!) USER MOD Single : B 25 GLN : amide:sc= -0.825 K(o=-0.83,f=-1.9!) USER MOD Single : B 40 GLN :FLIP amide:sc= -5.73! C(o=-8.4!,f=-5.7!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 93:sc= 1.27 USER MOD Single : B 49 THR OG1 : rot 94:sc= 0.444 USER MOD Single : B 53 ASN :FLIP amide:sc= -0.07 F(o=-3.8!,f=-0.07) USER MOD Single : B 59 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.51) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.13) USER MOD Single : B 67 LYS NZ :NH3+ -155:sc= -0.0867 (180deg=-1.1) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 SER OG : rot -53:sc= 0.17 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.039 6.136 23.128 1.00 0.00 N ATOM 2 CA MET A 1 -8.894 5.242 23.162 1.00 0.00 C ATOM 3 C MET A 1 -7.888 5.668 22.090 1.00 0.00 C ATOM 4 O MET A 1 -7.674 4.897 21.143 1.00 0.00 O ATOM 5 CB MET A 1 -9.337 3.800 22.902 1.00 0.00 C ATOM 6 CG MET A 1 -9.975 3.190 24.152 1.00 0.00 C ATOM 7 SD MET A 1 -8.715 2.316 25.128 1.00 0.00 S ATOM 8 CE MET A 1 -9.337 0.614 24.995 1.00 0.00 C ATOM 0 H1 MET A 1 -10.884 5.631 23.465 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.858 6.956 23.742 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.196 6.461 22.153 1.00 0.00 H new ATOM 0 HA MET A 1 -8.431 5.295 24.147 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.050 3.777 22.077 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.479 3.201 22.598 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.435 3.973 24.755 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.769 2.500 23.866 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.676 -0.059 25.542 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.341 0.559 25.417 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.368 0.319 23.946 1.00 0.00 H new ATOM 18 N ASP A 2 -7.300 6.865 22.259 1.00 0.00 N ATOM 19 CA ASP A 2 -6.327 7.385 21.313 1.00 0.00 C ATOM 20 C ASP A 2 -6.983 7.527 19.939 1.00 0.00 C ATOM 21 O ASP A 2 -8.215 7.652 19.884 1.00 0.00 O ATOM 22 CB ASP A 2 -5.135 6.436 21.172 1.00 0.00 C ATOM 23 CG ASP A 2 -4.387 6.140 22.474 1.00 0.00 C ATOM 24 OD1 ASP A 2 -3.793 7.038 23.089 1.00 0.00 O ATOM 25 OD2 ASP A 2 -4.431 4.909 22.859 1.00 0.00 O ATOM 0 H ASP A 2 -7.490 7.484 23.048 1.00 0.00 H new ATOM 0 HA ASP A 2 -5.979 8.349 21.683 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.487 5.494 20.751 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.433 6.863 20.456 1.00 0.00 H new ATOM 30 N SER A 3 -6.161 7.506 18.874 1.00 0.00 N ATOM 31 CA SER A 3 -6.659 7.632 17.515 1.00 0.00 C ATOM 32 C SER A 3 -5.746 6.851 16.567 1.00 0.00 C ATOM 33 O SER A 3 -5.437 7.369 15.485 1.00 0.00 O ATOM 34 CB SER A 3 -6.743 9.097 17.082 1.00 0.00 C ATOM 35 OG SER A 3 -5.649 9.863 17.578 1.00 0.00 O ATOM 0 H SER A 3 -5.149 7.402 18.941 1.00 0.00 H new ATOM 0 HA SER A 3 -7.668 7.221 17.477 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.761 9.153 15.994 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.679 9.528 17.439 1.00 0.00 H new ATOM 0 HG SER A 3 -5.738 10.792 17.279 1.00 0.00 H new ATOM 41 N ASN A 4 -5.339 5.639 16.986 1.00 0.00 N ATOM 42 CA ASN A 4 -4.471 4.798 16.181 1.00 0.00 C ATOM 43 C ASN A 4 -5.158 4.490 14.849 1.00 0.00 C ATOM 44 O ASN A 4 -4.451 4.347 13.840 1.00 0.00 O ATOM 45 CB ASN A 4 -4.186 3.469 16.884 1.00 0.00 C ATOM 46 CG ASN A 4 -2.683 3.181 16.925 1.00 0.00 C ATOM 47 OD1 ASN A 4 -1.859 3.994 16.542 1.00 0.00 O ATOM 48 ND2 ASN A 4 -2.375 1.982 17.410 1.00 0.00 N ATOM 0 H ASN A 4 -5.605 5.230 17.882 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.534 5.332 16.025 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.582 3.498 17.899 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.701 2.661 16.364 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.399 1.695 17.479 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.115 1.349 17.713 1.00 0.00 H new ATOM 55 N THR A 5 -6.499 4.397 14.871 1.00 0.00 N ATOM 56 CA THR A 5 -7.270 4.110 13.674 1.00 0.00 C ATOM 57 C THR A 5 -7.044 5.222 12.647 1.00 0.00 C ATOM 58 O THR A 5 -6.772 4.901 11.481 1.00 0.00 O ATOM 59 CB THR A 5 -8.738 3.936 14.067 1.00 0.00 C ATOM 60 OG1 THR A 5 -8.895 2.528 14.213 1.00 0.00 O ATOM 61 CG2 THR A 5 -9.697 4.302 12.932 1.00 0.00 C ATOM 0 H THR A 5 -7.062 4.519 15.713 1.00 0.00 H new ATOM 0 HA THR A 5 -6.948 3.181 13.204 1.00 0.00 H new ATOM 0 HB THR A 5 -8.955 4.554 14.938 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.819 2.327 14.469 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.725 4.160 13.265 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.547 5.344 12.651 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.503 3.662 12.071 1.00 0.00 H new ATOM 69 N VAL A 6 -7.159 6.485 13.093 1.00 0.00 N ATOM 70 CA VAL A 6 -6.967 7.630 12.220 1.00 0.00 C ATOM 71 C VAL A 6 -5.680 7.443 11.414 1.00 0.00 C ATOM 72 O VAL A 6 -5.695 7.718 10.206 1.00 0.00 O ATOM 73 CB VAL A 6 -6.976 8.921 13.041 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.065 9.977 12.411 1.00 0.00 C ATOM 75 CG2 VAL A 6 -8.400 9.455 13.207 1.00 0.00 C ATOM 0 H VAL A 6 -7.385 6.727 14.058 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.788 7.708 11.507 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.587 8.690 14.033 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.089 10.885 13.014 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.044 9.598 12.367 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.412 10.202 11.402 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.378 10.373 13.794 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.828 9.662 12.226 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.010 8.711 13.719 1.00 0.00 H new ATOM 85 N SER A 7 -4.609 6.987 12.089 1.00 0.00 N ATOM 86 CA SER A 7 -3.328 6.766 11.441 1.00 0.00 C ATOM 87 C SER A 7 -3.511 5.788 10.279 1.00 0.00 C ATOM 88 O SER A 7 -3.324 6.202 9.125 1.00 0.00 O ATOM 89 CB SER A 7 -2.286 6.231 12.426 1.00 0.00 C ATOM 90 OG SER A 7 -1.996 7.170 13.458 1.00 0.00 O ATOM 0 H SER A 7 -4.618 6.768 13.085 1.00 0.00 H new ATOM 0 HA SER A 7 -2.962 7.721 11.064 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.649 5.304 12.870 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.369 5.989 11.888 1.00 0.00 H new ATOM 0 HG SER A 7 -1.328 6.791 14.067 1.00 0.00 H new ATOM 96 N SER A 8 -3.866 4.531 10.600 1.00 0.00 N ATOM 97 CA SER A 8 -4.071 3.507 9.589 1.00 0.00 C ATOM 98 C SER A 8 -4.852 4.104 8.416 1.00 0.00 C ATOM 99 O SER A 8 -4.590 3.707 7.271 1.00 0.00 O ATOM 100 CB SER A 8 -4.813 2.297 10.160 1.00 0.00 C ATOM 101 OG SER A 8 -4.140 1.074 9.874 1.00 0.00 O ATOM 0 H SER A 8 -4.014 4.211 11.557 1.00 0.00 H new ATOM 0 HA SER A 8 -3.097 3.161 9.244 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.915 2.411 11.239 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.821 2.261 9.746 1.00 0.00 H new ATOM 0 HG SER A 8 -3.572 1.190 9.084 1.00 0.00 H new ATOM 107 N PHE A 9 -5.780 5.029 8.719 1.00 0.00 N ATOM 108 CA PHE A 9 -6.589 5.670 7.697 1.00 0.00 C ATOM 109 C PHE A 9 -5.682 6.485 6.772 1.00 0.00 C ATOM 110 O PHE A 9 -5.738 6.270 5.552 1.00 0.00 O ATOM 111 CB PHE A 9 -7.636 6.577 8.373 1.00 0.00 C ATOM 112 CG PHE A 9 -8.937 6.734 7.597 1.00 0.00 C ATOM 113 CD1 PHE A 9 -8.968 7.512 6.417 1.00 0.00 C ATOM 114 CD2 PHE A 9 -10.118 6.098 8.046 1.00 0.00 C ATOM 115 CE1 PHE A 9 -10.171 7.656 5.694 1.00 0.00 C ATOM 116 CE2 PHE A 9 -11.320 6.242 7.321 1.00 0.00 C ATOM 117 CZ PHE A 9 -11.347 7.021 6.145 1.00 0.00 C ATOM 0 H PHE A 9 -5.980 5.342 9.669 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.109 4.919 7.103 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.864 6.173 9.360 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.198 7.564 8.525 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.069 7.997 6.068 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.100 5.501 8.946 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.191 8.253 4.794 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -12.220 5.755 7.667 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.267 7.131 5.591 1.00 0.00 H new ATOM 127 N GLN A 10 -4.878 7.389 7.360 1.00 0.00 N ATOM 128 CA GLN A 10 -3.969 8.225 6.593 1.00 0.00 C ATOM 129 C GLN A 10 -3.128 7.342 5.669 1.00 0.00 C ATOM 130 O GLN A 10 -3.025 7.667 4.477 1.00 0.00 O ATOM 131 CB GLN A 10 -3.078 9.069 7.507 1.00 0.00 C ATOM 132 CG GLN A 10 -3.582 10.511 7.585 1.00 0.00 C ATOM 133 CD GLN A 10 -3.648 10.991 9.036 1.00 0.00 C ATOM 134 OE1 GLN A 10 -2.858 10.601 9.882 1.00 0.00 O ATOM 135 NE2 GLN A 10 -4.628 11.856 9.277 1.00 0.00 N ATOM 0 H GLN A 10 -4.848 7.551 8.367 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.555 8.919 5.991 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.058 8.632 8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.054 9.058 7.134 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.922 11.162 7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.570 10.580 7.130 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.254 12.140 8.524 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.754 12.235 10.215 1.00 0.00 H new ATOM 144 N VAL A 11 -2.554 6.262 6.226 1.00 0.00 N ATOM 145 CA VAL A 11 -1.731 5.343 5.457 1.00 0.00 C ATOM 146 C VAL A 11 -2.518 4.861 4.236 1.00 0.00 C ATOM 147 O VAL A 11 -2.025 5.031 3.112 1.00 0.00 O ATOM 148 CB VAL A 11 -1.250 4.198 6.349 1.00 0.00 C ATOM 149 CG1 VAL A 11 -0.406 3.201 5.553 1.00 0.00 C ATOM 150 CG2 VAL A 11 -0.477 4.732 7.556 1.00 0.00 C ATOM 0 H VAL A 11 -2.652 6.013 7.210 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.837 5.847 5.090 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.128 3.670 6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.076 2.397 6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.003 2.785 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.464 3.710 5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.146 3.898 8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.390 5.295 7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.124 5.384 8.143 1.00 0.00 H new ATOM 160 N ASP A 12 -3.705 4.278 4.477 1.00 0.00 N ATOM 161 CA ASP A 12 -4.550 3.777 3.406 1.00 0.00 C ATOM 162 C ASP A 12 -4.634 4.826 2.296 1.00 0.00 C ATOM 163 O ASP A 12 -4.447 4.462 1.125 1.00 0.00 O ATOM 164 CB ASP A 12 -5.970 3.502 3.905 1.00 0.00 C ATOM 165 CG ASP A 12 -6.622 2.241 3.337 1.00 0.00 C ATOM 166 OD1 ASP A 12 -6.191 1.709 2.302 1.00 0.00 O ATOM 167 OD2 ASP A 12 -7.629 1.798 4.011 1.00 0.00 O ATOM 0 H ASP A 12 -4.092 4.147 5.411 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.112 2.849 3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.948 3.423 4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.597 4.359 3.660 1.00 0.00 H new ATOM 172 N CYS A 13 -4.908 6.087 2.677 1.00 0.00 N ATOM 173 CA CYS A 13 -5.015 7.175 1.722 1.00 0.00 C ATOM 174 C CYS A 13 -3.743 7.228 0.872 1.00 0.00 C ATOM 175 O CYS A 13 -3.859 7.232 -0.362 1.00 0.00 O ATOM 176 CB CYS A 13 -5.286 8.505 2.427 1.00 0.00 C ATOM 177 SG CYS A 13 -6.448 9.603 1.563 1.00 0.00 S ATOM 0 H CYS A 13 -5.058 6.366 3.647 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.865 6.994 1.064 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.676 8.299 3.424 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.340 9.030 2.557 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.907 10.776 1.413 1.00 0.00 H new ATOM 183 N PHE A 14 -2.576 7.267 1.537 1.00 0.00 N ATOM 184 CA PHE A 14 -1.298 7.319 0.847 1.00 0.00 C ATOM 185 C PHE A 14 -1.199 6.142 -0.124 1.00 0.00 C ATOM 186 O PHE A 14 -0.625 6.318 -1.209 1.00 0.00 O ATOM 187 CB PHE A 14 -0.159 7.270 1.884 1.00 0.00 C ATOM 188 CG PHE A 14 1.235 7.124 1.290 1.00 0.00 C ATOM 189 CD1 PHE A 14 1.885 8.245 0.724 1.00 0.00 C ATOM 190 CD2 PHE A 14 1.892 5.871 1.306 1.00 0.00 C ATOM 191 CE1 PHE A 14 3.178 8.114 0.176 1.00 0.00 C ATOM 192 CE2 PHE A 14 3.186 5.741 0.758 1.00 0.00 C ATOM 193 CZ PHE A 14 3.830 6.862 0.193 1.00 0.00 C ATOM 0 H PHE A 14 -2.503 7.263 2.554 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.214 8.246 0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.191 8.181 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.339 6.436 2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.390 9.205 0.711 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.402 5.012 1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.670 8.972 -0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.684 4.783 0.771 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.820 6.762 -0.226 1.00 0.00 H new ATOM 203 N LEU A 15 -1.752 4.982 0.276 1.00 0.00 N ATOM 204 CA LEU A 15 -1.726 3.790 -0.553 1.00 0.00 C ATOM 205 C LEU A 15 -2.497 4.057 -1.847 1.00 0.00 C ATOM 206 O LEU A 15 -1.978 3.721 -2.923 1.00 0.00 O ATOM 207 CB LEU A 15 -2.241 2.581 0.231 1.00 0.00 C ATOM 208 CG LEU A 15 -1.906 1.209 -0.357 1.00 0.00 C ATOM 209 CD1 LEU A 15 -2.978 0.179 0.007 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.687 1.298 -1.869 1.00 0.00 C ATOM 0 H LEU A 15 -2.221 4.858 1.173 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.702 3.545 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.837 2.630 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.325 2.663 0.317 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.969 0.869 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.715 -0.787 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.042 0.088 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.942 0.502 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.450 0.309 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.593 1.671 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.861 1.978 -2.078 1.00 0.00 H new ATOM 222 N TRP A 16 -3.698 4.649 -1.722 1.00 0.00 N ATOM 223 CA TRP A 16 -4.529 4.957 -2.874 1.00 0.00 C ATOM 224 C TRP A 16 -3.734 5.824 -3.852 1.00 0.00 C ATOM 225 O TRP A 16 -3.661 5.460 -5.036 1.00 0.00 O ATOM 226 CB TRP A 16 -5.838 5.609 -2.424 1.00 0.00 C ATOM 227 CG TRP A 16 -6.832 5.857 -3.560 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.861 5.086 -3.938 1.00 0.00 C ATOM 229 CD2 TRP A 16 -6.850 6.987 -4.456 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.538 5.635 -5.008 1.00 0.00 N ATOM 231 CE2 TRP A 16 -7.904 6.828 -5.333 1.00 0.00 C ATOM 232 CE3 TRP A 16 -6.004 8.108 -4.523 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -8.209 7.752 -6.339 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.323 9.022 -5.535 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.380 8.877 -6.425 1.00 0.00 C ATOM 0 H TRP A 16 -4.106 4.920 -0.827 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.805 4.042 -3.398 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -6.310 4.973 -1.675 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.611 6.559 -1.940 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.127 4.152 -3.465 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.354 5.238 -5.474 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.174 8.253 -3.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.040 7.605 -7.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.704 9.902 -5.630 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.561 9.628 -7.179 1.00 0.00 H new ATOM 246 N HIS A 17 -3.165 6.933 -3.349 1.00 0.00 N ATOM 247 CA HIS A 17 -2.385 7.840 -4.173 1.00 0.00 C ATOM 248 C HIS A 17 -1.267 7.059 -4.866 1.00 0.00 C ATOM 249 O HIS A 17 -1.135 7.180 -6.093 1.00 0.00 O ATOM 250 CB HIS A 17 -1.862 9.018 -3.348 1.00 0.00 C ATOM 251 CG HIS A 17 -2.909 10.058 -3.030 1.00 0.00 C ATOM 252 ND1 HIS A 17 -3.855 10.100 -2.049 1.00 0.00 N flip ATOM 253 CD2 HIS A 17 -3.061 11.219 -3.769 1.00 0.00 C flip ATOM 254 CE1 HIS A 17 -4.546 11.226 -2.179 1.00 0.00 C flip ATOM 255 NE2 HIS A 17 -4.055 11.921 -3.245 1.00 0.00 N flip ATOM 0 H HIS A 17 -3.238 7.214 -2.371 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.019 8.272 -4.947 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.446 8.638 -2.415 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.045 9.494 -3.890 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.470 11.504 -4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.362 11.540 -1.545 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -4.394 12.823 -3.580 1.00 0.00 H new ATOM 263 N VAL A 18 -0.495 6.287 -4.080 1.00 0.00 N ATOM 264 CA VAL A 18 0.600 5.496 -4.615 1.00 0.00 C ATOM 265 C VAL A 18 0.064 4.557 -5.698 1.00 0.00 C ATOM 266 O VAL A 18 0.758 4.363 -6.706 1.00 0.00 O ATOM 267 CB VAL A 18 1.312 4.754 -3.481 1.00 0.00 C ATOM 268 CG1 VAL A 18 1.118 3.242 -3.608 1.00 0.00 C ATOM 269 CG2 VAL A 18 2.798 5.115 -3.440 1.00 0.00 C ATOM 0 H VAL A 18 -0.619 6.202 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 18 1.344 6.141 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 18 0.864 5.070 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.634 2.739 -2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.055 3.007 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.527 2.901 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.281 4.575 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.265 4.840 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.908 6.188 -3.279 1.00 0.00 H new ATOM 279 N ARG A 19 -1.142 4.003 -5.473 1.00 0.00 N ATOM 280 CA ARG A 19 -1.761 3.095 -6.423 1.00 0.00 C ATOM 281 C ARG A 19 -2.030 3.839 -7.732 1.00 0.00 C ATOM 282 O ARG A 19 -1.600 3.351 -8.787 1.00 0.00 O ATOM 283 CB ARG A 19 -3.077 2.530 -5.886 1.00 0.00 C ATOM 284 CG ARG A 19 -3.403 1.184 -6.536 1.00 0.00 C ATOM 285 CD ARG A 19 -4.644 0.554 -5.902 1.00 0.00 C ATOM 286 NE ARG A 19 -4.564 0.651 -4.427 1.00 0.00 N ATOM 287 CZ ARG A 19 -5.637 0.749 -3.615 1.00 0.00 C ATOM 288 NH1 ARG A 19 -6.863 0.761 -4.158 1.00 0.00 N ATOM 289 NH2 ARG A 19 -5.481 0.833 -2.287 1.00 0.00 N ATOM 0 H ARG A 19 -1.698 4.177 -4.636 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.077 2.263 -6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.010 2.409 -4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.885 3.236 -6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.567 1.323 -7.605 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.554 0.509 -6.429 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.541 1.059 -6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.725 -0.491 -6.202 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.639 0.643 -3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.973 0.697 -5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.685 0.834 -3.559 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.545 0.823 -1.882 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.298 0.907 -1.681 1.00 0.00 H new ATOM 303 N LYS A 20 -2.725 4.988 -7.641 1.00 0.00 N ATOM 304 CA LYS A 20 -3.047 5.789 -8.809 1.00 0.00 C ATOM 305 C LYS A 20 -1.757 6.138 -9.554 1.00 0.00 C ATOM 306 O LYS A 20 -1.809 6.296 -10.782 1.00 0.00 O ATOM 307 CB LYS A 20 -3.876 7.011 -8.409 1.00 0.00 C ATOM 308 CG LYS A 20 -3.039 8.289 -8.484 1.00 0.00 C ATOM 309 CD LYS A 20 -3.048 8.868 -9.901 1.00 0.00 C ATOM 310 CE LYS A 20 -1.720 9.559 -10.220 1.00 0.00 C ATOM 311 NZ LYS A 20 -1.914 11.013 -10.348 1.00 0.00 N ATOM 0 H LYS A 20 -3.070 5.373 -6.762 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.671 5.222 -9.500 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.741 7.099 -9.066 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.257 6.881 -7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.431 9.026 -7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.014 8.075 -8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.230 8.071 -10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.866 9.581 -10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.996 9.351 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.308 9.158 -11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.004 11.467 -10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.589 11.207 -11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.287 11.393 -9.455 1.00 0.00 H new ATOM 325 N GLN A 21 -0.643 6.249 -8.809 1.00 0.00 N ATOM 326 CA GLN A 21 0.646 6.576 -9.395 1.00 0.00 C ATOM 327 C GLN A 21 1.174 5.363 -10.163 1.00 0.00 C ATOM 328 O GLN A 21 1.802 5.558 -11.214 1.00 0.00 O ATOM 329 CB GLN A 21 1.648 7.031 -8.331 1.00 0.00 C ATOM 330 CG GLN A 21 2.302 8.357 -8.725 1.00 0.00 C ATOM 331 CD GLN A 21 1.736 9.513 -7.898 1.00 0.00 C ATOM 332 OE1 GLN A 21 2.418 10.474 -7.580 1.00 0.00 O ATOM 333 NE2 GLN A 21 0.456 9.367 -7.568 1.00 0.00 N ATOM 0 H GLN A 21 -0.621 6.115 -7.798 1.00 0.00 H new ATOM 0 HA GLN A 21 0.516 7.410 -10.085 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.141 7.142 -7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.415 6.268 -8.199 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.380 8.293 -8.578 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.136 8.548 -9.785 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.056 8.537 -7.867 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.013 10.085 -7.016 1.00 0.00 H new ATOM 342 N VAL A 22 0.916 4.154 -9.632 1.00 0.00 N ATOM 343 CA VAL A 22 1.362 2.924 -10.263 1.00 0.00 C ATOM 344 C VAL A 22 0.652 2.760 -11.608 1.00 0.00 C ATOM 345 O VAL A 22 1.344 2.612 -12.627 1.00 0.00 O ATOM 346 CB VAL A 22 1.138 1.740 -9.320 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.052 0.427 -10.100 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.233 1.675 -8.253 1.00 0.00 C ATOM 0 H VAL A 22 0.398 4.015 -8.764 1.00 0.00 H new ATOM 0 HA VAL A 22 2.433 2.964 -10.463 1.00 0.00 H new ATOM 0 HB VAL A 22 0.185 1.890 -8.813 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.893 -0.399 -9.406 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.221 0.475 -10.803 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.981 0.267 -10.647 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.051 0.825 -7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.204 1.559 -8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.226 2.594 -7.668 1.00 0.00 H new ATOM 358 N VAL A 23 -0.693 2.788 -11.587 1.00 0.00 N ATOM 359 CA VAL A 23 -1.485 2.643 -12.796 1.00 0.00 C ATOM 360 C VAL A 23 -1.232 3.840 -13.713 1.00 0.00 C ATOM 361 O VAL A 23 -1.281 3.666 -14.939 1.00 0.00 O ATOM 362 CB VAL A 23 -2.961 2.466 -12.436 1.00 0.00 C ATOM 363 CG1 VAL A 23 -3.757 1.932 -13.629 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.124 1.555 -11.218 1.00 0.00 C ATOM 0 H VAL A 23 -1.244 2.911 -10.738 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.188 1.748 -13.342 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.361 3.446 -12.177 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.803 1.815 -13.346 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.682 2.634 -14.460 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.354 0.966 -13.933 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.183 1.446 -10.984 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.698 0.576 -11.437 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.607 1.993 -10.364 1.00 0.00 H new ATOM 374 N ASP A 24 -0.971 5.015 -13.111 1.00 0.00 N ATOM 375 CA ASP A 24 -0.714 6.228 -13.869 1.00 0.00 C ATOM 376 C ASP A 24 0.511 6.018 -14.761 1.00 0.00 C ATOM 377 O ASP A 24 0.806 6.903 -15.576 1.00 0.00 O ATOM 378 CB ASP A 24 -0.424 7.407 -12.938 1.00 0.00 C ATOM 379 CG ASP A 24 0.218 8.622 -13.613 1.00 0.00 C ATOM 380 OD1 ASP A 24 1.446 8.687 -13.773 1.00 0.00 O ATOM 381 OD2 ASP A 24 -0.609 9.539 -13.986 1.00 0.00 O ATOM 0 H ASP A 24 -0.935 5.138 -12.099 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.600 6.447 -14.465 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.358 7.721 -12.472 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.233 7.066 -12.138 1.00 0.00 H new ATOM 386 N GLN A 25 1.189 4.867 -14.591 1.00 0.00 N ATOM 387 CA GLN A 25 2.369 4.547 -15.375 1.00 0.00 C ATOM 388 C GLN A 25 2.128 3.246 -16.143 1.00 0.00 C ATOM 389 O GLN A 25 3.111 2.560 -16.463 1.00 0.00 O ATOM 390 CB GLN A 25 3.616 4.441 -14.494 1.00 0.00 C ATOM 391 CG GLN A 25 4.590 5.586 -14.783 1.00 0.00 C ATOM 392 CD GLN A 25 5.309 6.029 -13.508 1.00 0.00 C ATOM 393 OE1 GLN A 25 6.181 5.351 -12.988 1.00 0.00 O ATOM 394 NE2 GLN A 25 4.896 7.200 -13.032 1.00 0.00 N ATOM 0 H GLN A 25 0.929 4.150 -13.913 1.00 0.00 H new ATOM 0 HA GLN A 25 2.548 5.355 -16.084 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.326 4.462 -13.443 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.110 3.485 -14.670 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.322 5.267 -15.525 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.048 6.430 -15.211 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.162 7.717 -13.516 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.314 7.581 -12.183 1.00 0.00 H new ATOM 403 N GLU A 26 0.849 2.938 -16.418 1.00 0.00 N ATOM 404 CA GLU A 26 0.487 1.730 -17.142 1.00 0.00 C ATOM 405 C GLU A 26 1.442 0.601 -16.752 1.00 0.00 C ATOM 406 O GLU A 26 1.835 -0.171 -17.639 1.00 0.00 O ATOM 407 CB GLU A 26 0.493 1.959 -18.654 1.00 0.00 C ATOM 408 CG GLU A 26 1.907 1.820 -19.223 1.00 0.00 C ATOM 409 CD GLU A 26 2.173 2.876 -20.297 1.00 0.00 C ATOM 410 OE1 GLU A 26 1.353 3.051 -21.210 1.00 0.00 O ATOM 411 OE2 GLU A 26 3.275 3.530 -20.157 1.00 0.00 O ATOM 0 H GLU A 26 0.055 3.517 -16.145 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.530 1.449 -16.869 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.170 1.241 -19.137 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.103 2.952 -18.877 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.637 1.921 -18.420 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.036 0.824 -19.647 1.00 0.00 H new ATOM 418 N LEU A 27 1.793 0.529 -15.456 1.00 0.00 N ATOM 419 CA LEU A 27 2.693 -0.498 -14.958 1.00 0.00 C ATOM 420 C LEU A 27 1.900 -1.509 -14.128 1.00 0.00 C ATOM 421 O LEU A 27 2.514 -2.445 -13.596 1.00 0.00 O ATOM 422 CB LEU A 27 3.862 0.137 -14.201 1.00 0.00 C ATOM 423 CG LEU A 27 3.611 0.455 -12.725 1.00 0.00 C ATOM 424 CD1 LEU A 27 4.240 -0.606 -11.821 1.00 0.00 C ATOM 425 CD2 LEU A 27 4.095 1.864 -12.378 1.00 0.00 C ATOM 0 H LEU A 27 1.460 1.177 -14.742 1.00 0.00 H new ATOM 0 HA LEU A 27 3.139 -1.048 -15.787 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.719 -0.533 -14.267 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.140 1.060 -14.709 1.00 0.00 H new ATOM 0 HG LEU A 27 2.536 0.431 -12.549 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.047 -0.356 -10.778 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.806 -1.580 -12.047 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.316 -0.639 -11.993 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.905 2.065 -11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.164 1.940 -12.575 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.561 2.593 -12.988 1.00 0.00 H new ATOM 437 N GLY A 28 0.574 -1.305 -14.038 1.00 0.00 N ATOM 438 CA GLY A 28 -0.293 -2.192 -13.280 1.00 0.00 C ATOM 439 C GLY A 28 -0.572 -3.450 -14.104 1.00 0.00 C ATOM 440 O GLY A 28 0.355 -3.941 -14.764 1.00 0.00 O ATOM 0 H GLY A 28 0.089 -0.528 -14.486 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.178 -2.460 -12.334 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.228 -1.687 -13.038 1.00 0.00 H new ATOM 444 N ASP A 29 -1.826 -3.937 -14.052 1.00 0.00 N ATOM 445 CA ASP A 29 -2.220 -5.126 -14.790 1.00 0.00 C ATOM 446 C ASP A 29 -3.680 -4.988 -15.225 1.00 0.00 C ATOM 447 O ASP A 29 -3.943 -5.041 -16.435 1.00 0.00 O ATOM 448 CB ASP A 29 -2.102 -6.378 -13.919 1.00 0.00 C ATOM 449 CG ASP A 29 -1.900 -6.112 -12.426 1.00 0.00 C ATOM 450 OD1 ASP A 29 -2.331 -5.074 -11.898 1.00 0.00 O ATOM 451 OD2 ASP A 29 -1.262 -7.033 -11.789 1.00 0.00 O ATOM 0 H ASP A 29 -2.576 -3.517 -13.503 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.560 -5.223 -15.652 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.003 -6.977 -14.047 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.267 -6.977 -14.282 1.00 0.00 H new ATOM 456 N ALA A 30 -4.587 -4.818 -14.247 1.00 0.00 N ATOM 457 CA ALA A 30 -6.006 -4.675 -14.527 1.00 0.00 C ATOM 458 C ALA A 30 -6.786 -4.693 -13.211 1.00 0.00 C ATOM 459 O ALA A 30 -7.739 -3.910 -13.079 1.00 0.00 O ATOM 460 CB ALA A 30 -6.495 -5.879 -15.333 1.00 0.00 C ATOM 0 H ALA A 30 -4.350 -4.778 -13.256 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.158 -3.744 -15.073 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.559 -5.769 -15.542 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.945 -5.936 -16.272 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.330 -6.792 -14.760 1.00 0.00 H new ATOM 466 N PRO A 31 -6.374 -5.572 -12.280 1.00 0.00 N ATOM 467 CA PRO A 31 -7.006 -5.716 -10.979 1.00 0.00 C ATOM 468 C PRO A 31 -6.632 -4.555 -10.056 1.00 0.00 C ATOM 469 O PRO A 31 -7.408 -4.261 -9.134 1.00 0.00 O ATOM 470 CB PRO A 31 -6.532 -7.064 -10.459 1.00 0.00 C ATOM 471 CG PRO A 31 -5.295 -7.413 -11.272 1.00 0.00 C ATOM 472 CD PRO A 31 -5.247 -6.480 -12.471 1.00 0.00 C ATOM 0 HA PRO A 31 -8.094 -5.685 -11.034 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.299 -7.012 -9.396 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.305 -7.823 -10.579 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.396 -7.302 -10.666 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.333 -8.452 -11.598 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.303 -5.936 -12.512 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.338 -7.032 -13.406 1.00 0.00 H new ATOM 480 N PHE A 32 -5.472 -3.928 -10.317 1.00 0.00 N ATOM 481 CA PHE A 32 -5.003 -2.810 -9.516 1.00 0.00 C ATOM 482 C PHE A 32 -5.857 -1.578 -9.819 1.00 0.00 C ATOM 483 O PHE A 32 -6.203 -0.853 -8.874 1.00 0.00 O ATOM 484 CB PHE A 32 -3.520 -2.541 -9.838 1.00 0.00 C ATOM 485 CG PHE A 32 -2.587 -2.608 -8.636 1.00 0.00 C ATOM 486 CD1 PHE A 32 -2.826 -3.536 -7.597 1.00 0.00 C ATOM 487 CD2 PHE A 32 -1.478 -1.735 -8.551 1.00 0.00 C ATOM 488 CE1 PHE A 32 -1.962 -3.594 -6.483 1.00 0.00 C ATOM 489 CE2 PHE A 32 -0.614 -1.792 -7.437 1.00 0.00 C ATOM 490 CZ PHE A 32 -0.855 -2.721 -6.403 1.00 0.00 C ATOM 0 H PHE A 32 -4.848 -4.186 -11.082 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.093 -3.043 -8.455 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.186 -3.265 -10.581 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.434 -1.554 -10.293 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.673 -4.203 -7.656 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.292 -1.023 -9.341 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.147 -4.306 -5.692 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.232 -1.124 -7.376 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.193 -2.764 -5.551 1.00 0.00 H new ATOM 500 N LEU A 33 -6.175 -1.368 -11.109 1.00 0.00 N ATOM 501 CA LEU A 33 -6.980 -0.233 -11.529 1.00 0.00 C ATOM 502 C LEU A 33 -8.424 -0.439 -11.066 1.00 0.00 C ATOM 503 O LEU A 33 -9.031 0.526 -10.578 1.00 0.00 O ATOM 504 CB LEU A 33 -6.844 -0.009 -13.036 1.00 0.00 C ATOM 505 CG LEU A 33 -7.554 1.226 -13.597 1.00 0.00 C ATOM 506 CD1 LEU A 33 -7.443 2.408 -12.632 1.00 0.00 C ATOM 507 CD2 LEU A 33 -7.030 1.573 -14.991 1.00 0.00 C ATOM 0 H LEU A 33 -5.880 -1.978 -11.872 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.622 0.683 -11.060 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.784 0.064 -13.278 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.228 -0.890 -13.550 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.614 0.993 -13.700 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.956 3.272 -13.055 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.902 2.144 -11.679 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.392 2.651 -12.474 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.551 2.454 -15.367 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.961 1.779 -14.937 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.204 0.734 -15.664 1.00 0.00 H new ATOM 519 N ASP A 34 -8.937 -1.673 -11.225 1.00 0.00 N ATOM 520 CA ASP A 34 -10.296 -1.999 -10.826 1.00 0.00 C ATOM 521 C ASP A 34 -10.450 -1.768 -9.321 1.00 0.00 C ATOM 522 O ASP A 34 -11.463 -1.180 -8.915 1.00 0.00 O ATOM 523 CB ASP A 34 -10.617 -3.466 -11.115 1.00 0.00 C ATOM 524 CG ASP A 34 -12.016 -3.918 -10.690 1.00 0.00 C ATOM 525 OD1 ASP A 34 -12.763 -2.988 -10.198 1.00 0.00 O ATOM 526 OD2 ASP A 34 -12.375 -5.098 -10.822 1.00 0.00 O ATOM 0 H ASP A 34 -8.420 -2.454 -11.629 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.976 -1.363 -11.392 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.504 -3.643 -12.185 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.881 -4.090 -10.609 1.00 0.00 H new ATOM 531 N ARG A 35 -9.460 -2.230 -8.537 1.00 0.00 N ATOM 532 CA ARG A 35 -9.486 -2.074 -7.092 1.00 0.00 C ATOM 533 C ARG A 35 -9.208 -0.613 -6.735 1.00 0.00 C ATOM 534 O ARG A 35 -9.666 -0.168 -5.672 1.00 0.00 O ATOM 535 CB ARG A 35 -8.445 -2.965 -6.411 1.00 0.00 C ATOM 536 CG ARG A 35 -7.294 -2.130 -5.847 1.00 0.00 C ATOM 537 CD ARG A 35 -6.135 -3.024 -5.399 1.00 0.00 C ATOM 538 NE ARG A 35 -6.506 -4.449 -5.555 1.00 0.00 N ATOM 539 CZ ARG A 35 -6.576 -5.329 -4.535 1.00 0.00 C ATOM 540 NH1 ARG A 35 -6.297 -4.909 -3.293 1.00 0.00 N ATOM 541 NH2 ARG A 35 -6.920 -6.604 -4.759 1.00 0.00 N ATOM 0 H ARG A 35 -8.635 -2.714 -8.891 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.473 -2.372 -6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.916 -3.532 -5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.057 -3.689 -7.127 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.945 -1.428 -6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.649 -1.538 -5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.246 -2.804 -5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.886 -2.816 -4.358 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.722 -4.787 -6.493 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.036 -3.936 -3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.345 -5.562 -2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.131 -6.916 -5.707 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.970 -7.263 -3.982 1.00 0.00 H new ATOM 555 N LEU A 36 -8.476 0.094 -7.615 1.00 0.00 N ATOM 556 CA LEU A 36 -8.143 1.491 -7.394 1.00 0.00 C ATOM 557 C LEU A 36 -9.423 2.328 -7.432 1.00 0.00 C ATOM 558 O LEU A 36 -9.703 3.022 -6.444 1.00 0.00 O ATOM 559 CB LEU A 36 -7.077 1.952 -8.389 1.00 0.00 C ATOM 560 CG LEU A 36 -6.819 3.459 -8.447 1.00 0.00 C ATOM 561 CD1 LEU A 36 -5.607 3.839 -7.595 1.00 0.00 C ATOM 562 CD2 LEU A 36 -6.676 3.936 -9.892 1.00 0.00 C ATOM 0 H LEU A 36 -8.108 -0.291 -8.485 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.703 1.626 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.140 1.452 -8.144 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.367 1.615 -9.384 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.684 3.971 -8.025 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.445 4.915 -7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.787 3.555 -6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.724 3.318 -7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.493 5.011 -9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.840 3.420 -10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.593 3.718 -10.440 1.00 0.00 H new ATOM 574 N ARG A 37 -10.163 2.247 -8.552 1.00 0.00 N ATOM 575 CA ARG A 37 -11.400 2.992 -8.714 1.00 0.00 C ATOM 576 C ARG A 37 -12.407 2.536 -7.656 1.00 0.00 C ATOM 577 O ARG A 37 -13.067 3.400 -7.061 1.00 0.00 O ATOM 578 CB ARG A 37 -12.004 2.786 -10.105 1.00 0.00 C ATOM 579 CG ARG A 37 -12.891 1.540 -10.138 1.00 0.00 C ATOM 580 CD ARG A 37 -13.433 1.292 -11.548 1.00 0.00 C ATOM 581 NE ARG A 37 -14.859 0.902 -11.480 1.00 0.00 N ATOM 582 CZ ARG A 37 -15.851 1.543 -12.134 1.00 0.00 C ATOM 583 NH1 ARG A 37 -15.547 2.600 -12.899 1.00 0.00 N ATOM 584 NH2 ARG A 37 -17.120 1.128 -12.021 1.00 0.00 N ATOM 0 H ARG A 37 -9.915 1.668 -9.354 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.174 4.052 -8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.590 3.662 -10.384 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.206 2.688 -10.841 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.320 0.673 -9.806 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.721 1.661 -9.441 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.322 2.192 -12.153 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.855 0.507 -12.036 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.108 0.099 -10.903 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.578 2.909 -12.980 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.284 3.096 -13.400 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.343 0.322 -11.437 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.863 1.618 -12.519 1.00 0.00 H new ATOM 598 N ARG A 38 -12.502 1.211 -7.448 1.00 0.00 N ATOM 599 CA ARG A 38 -13.420 0.650 -6.470 1.00 0.00 C ATOM 600 C ARG A 38 -13.039 1.148 -5.074 1.00 0.00 C ATOM 601 O ARG A 38 -13.948 1.405 -4.272 1.00 0.00 O ATOM 602 CB ARG A 38 -13.391 -0.880 -6.484 1.00 0.00 C ATOM 603 CG ARG A 38 -14.365 -1.456 -5.454 1.00 0.00 C ATOM 604 CD ARG A 38 -14.484 -2.974 -5.601 1.00 0.00 C ATOM 605 NE ARG A 38 -15.449 -3.505 -4.612 1.00 0.00 N ATOM 606 CZ ARG A 38 -15.918 -4.769 -4.615 1.00 0.00 C ATOM 607 NH1 ARG A 38 -15.496 -5.617 -5.565 1.00 0.00 N ATOM 608 NH2 ARG A 38 -16.792 -5.174 -3.684 1.00 0.00 N ATOM 0 H ARG A 38 -11.949 0.517 -7.950 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.428 0.973 -6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.651 -1.243 -7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.381 -1.230 -6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.024 -1.210 -4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -15.346 -0.997 -5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.810 -3.225 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.509 -3.439 -5.456 1.00 0.00 H new ATOM 0 HE ARG A 38 -15.780 -2.874 -3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.830 -5.302 -6.271 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.841 -6.577 -5.582 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -17.108 -4.524 -2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.141 -6.132 -3.695 1.00 0.00 H new ATOM 622 N ASP A 39 -11.725 1.271 -4.817 1.00 0.00 N ATOM 623 CA ASP A 39 -11.232 1.733 -3.530 1.00 0.00 C ATOM 624 C ASP A 39 -11.570 3.217 -3.363 1.00 0.00 C ATOM 625 O ASP A 39 -11.835 3.637 -2.227 1.00 0.00 O ATOM 626 CB ASP A 39 -9.713 1.580 -3.435 1.00 0.00 C ATOM 627 CG ASP A 39 -9.097 2.059 -2.119 1.00 0.00 C ATOM 628 OD1 ASP A 39 -9.375 3.277 -1.797 1.00 0.00 O ATOM 629 OD2 ASP A 39 -8.386 1.307 -1.436 1.00 0.00 O ATOM 0 H ASP A 39 -10.992 1.054 -5.493 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.704 1.133 -2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.459 0.530 -3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.255 2.132 -4.256 1.00 0.00 H new ATOM 634 N GLN A 40 -11.553 3.967 -4.479 1.00 0.00 N ATOM 635 CA GLN A 40 -11.854 5.389 -4.456 1.00 0.00 C ATOM 636 C GLN A 40 -13.258 5.598 -3.886 1.00 0.00 C ATOM 637 O GLN A 40 -13.383 6.288 -2.863 1.00 0.00 O ATOM 638 CB GLN A 40 -11.730 6.012 -5.847 1.00 0.00 C ATOM 639 CG GLN A 40 -12.121 7.491 -5.822 1.00 0.00 C ATOM 640 CD GLN A 40 -10.896 8.379 -5.600 1.00 0.00 C ATOM 641 OE1 GLN A 40 -10.270 8.159 -4.448 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -10.542 9.211 -6.420 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.332 3.601 -5.405 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.127 5.890 -3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.706 5.909 -6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.369 5.475 -6.548 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.603 7.759 -6.762 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.849 7.665 -5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.068 9.330 -7.286 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.720 9.788 -6.239 1.00 0.00 H new ATOM 651 N LYS A 41 -14.271 5.008 -4.544 1.00 0.00 N ATOM 652 CA LYS A 41 -15.651 5.130 -4.106 1.00 0.00 C ATOM 653 C LYS A 41 -15.752 4.718 -2.636 1.00 0.00 C ATOM 654 O LYS A 41 -16.430 5.420 -1.872 1.00 0.00 O ATOM 655 CB LYS A 41 -16.580 4.341 -5.031 1.00 0.00 C ATOM 656 CG LYS A 41 -17.469 5.280 -5.846 1.00 0.00 C ATOM 657 CD LYS A 41 -18.867 5.383 -5.231 1.00 0.00 C ATOM 658 CE LYS A 41 -18.844 6.234 -3.960 1.00 0.00 C ATOM 659 NZ LYS A 41 -20.045 7.082 -3.885 1.00 0.00 N ATOM 0 H LYS A 41 -14.147 4.442 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.981 6.167 -4.171 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.988 3.720 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.201 3.668 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.014 6.269 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.545 4.917 -6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.555 5.821 -5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -19.241 4.386 -4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.793 5.588 -3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.950 6.858 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.013 7.653 -3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -20.078 7.712 -4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.894 6.481 -3.874 1.00 0.00 H new ATOM 673 N SER A 42 -15.086 3.606 -2.275 1.00 0.00 N ATOM 674 CA SER A 42 -15.102 3.109 -0.909 1.00 0.00 C ATOM 675 C SER A 42 -14.474 4.153 0.016 1.00 0.00 C ATOM 676 O SER A 42 -14.947 4.294 1.153 1.00 0.00 O ATOM 677 CB SER A 42 -14.358 1.777 -0.790 1.00 0.00 C ATOM 678 OG SER A 42 -14.755 1.046 0.367 1.00 0.00 O ATOM 0 H SER A 42 -14.533 3.042 -2.920 1.00 0.00 H new ATOM 0 HA SER A 42 -16.137 2.933 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.545 1.176 -1.680 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.285 1.963 -0.751 1.00 0.00 H new ATOM 0 HG SER A 42 -14.259 0.202 0.407 1.00 0.00 H new ATOM 684 N LEU A 43 -13.436 4.851 -0.480 1.00 0.00 N ATOM 685 CA LEU A 43 -12.752 5.870 0.298 1.00 0.00 C ATOM 686 C LEU A 43 -13.708 7.036 0.556 1.00 0.00 C ATOM 687 O LEU A 43 -14.076 7.250 1.720 1.00 0.00 O ATOM 688 CB LEU A 43 -11.449 6.284 -0.390 1.00 0.00 C ATOM 689 CG LEU A 43 -10.233 6.454 0.523 1.00 0.00 C ATOM 690 CD1 LEU A 43 -8.992 6.839 -0.284 1.00 0.00 C ATOM 691 CD2 LEU A 43 -10.524 7.456 1.641 1.00 0.00 C ATOM 0 H LEU A 43 -13.061 4.719 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.461 5.475 1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.208 5.538 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.620 7.225 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.024 5.495 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.142 6.954 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.775 6.058 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.173 7.780 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.644 7.559 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.773 8.424 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.363 7.100 2.239 1.00 0.00 H new ATOM 703 N ARG A 44 -14.086 7.754 -0.518 1.00 0.00 N ATOM 704 CA ARG A 44 -14.990 8.886 -0.407 1.00 0.00 C ATOM 705 C ARG A 44 -16.077 8.567 0.621 1.00 0.00 C ATOM 706 O ARG A 44 -16.451 9.470 1.383 1.00 0.00 O ATOM 707 CB ARG A 44 -15.648 9.215 -1.749 1.00 0.00 C ATOM 708 CG ARG A 44 -16.088 10.679 -1.799 1.00 0.00 C ATOM 709 CD ARG A 44 -16.064 11.210 -3.235 1.00 0.00 C ATOM 710 NE ARG A 44 -15.070 12.299 -3.354 1.00 0.00 N ATOM 711 CZ ARG A 44 -15.336 13.511 -3.889 1.00 0.00 C ATOM 712 NH1 ARG A 44 -16.570 13.763 -4.345 1.00 0.00 N ATOM 713 NH2 ARG A 44 -14.379 14.447 -3.961 1.00 0.00 N ATOM 0 H ARG A 44 -13.772 7.560 -1.469 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.409 9.752 -0.092 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.948 9.014 -2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.510 8.567 -1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.093 10.775 -1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.430 11.282 -1.173 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.817 10.404 -3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -17.052 11.576 -3.513 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.125 12.124 -3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.292 13.045 -4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -16.787 14.673 -4.752 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.442 14.247 -3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.588 15.360 -4.366 1.00 0.00 H new ATOM 727 N GLY A 45 -16.555 7.308 0.621 1.00 0.00 N ATOM 728 CA GLY A 45 -17.587 6.878 1.548 1.00 0.00 C ATOM 729 C GLY A 45 -17.045 6.943 2.976 1.00 0.00 C ATOM 730 O GLY A 45 -17.540 7.767 3.759 1.00 0.00 O ATOM 0 H GLY A 45 -16.234 6.579 -0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.466 7.515 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.902 5.861 1.313 1.00 0.00 H new ATOM 734 N ARG A 46 -16.055 6.086 3.284 1.00 0.00 N ATOM 735 CA ARG A 46 -15.453 6.046 4.606 1.00 0.00 C ATOM 736 C ARG A 46 -15.014 7.457 5.004 1.00 0.00 C ATOM 737 O ARG A 46 -15.579 8.001 5.965 1.00 0.00 O ATOM 738 CB ARG A 46 -14.242 5.112 4.647 1.00 0.00 C ATOM 739 CG ARG A 46 -14.672 3.668 4.913 1.00 0.00 C ATOM 740 CD ARG A 46 -13.457 2.741 5.000 1.00 0.00 C ATOM 741 NE ARG A 46 -12.685 2.800 3.739 1.00 0.00 N ATOM 742 CZ ARG A 46 -12.327 1.716 3.019 1.00 0.00 C ATOM 743 NH1 ARG A 46 -12.683 0.500 3.455 1.00 0.00 N ATOM 744 NH2 ARG A 46 -11.625 1.854 1.885 1.00 0.00 N ATOM 0 H ARG A 46 -15.662 5.414 2.625 1.00 0.00 H new ATOM 0 HA ARG A 46 -16.198 5.666 5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.704 5.167 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.552 5.439 5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -15.239 3.619 5.843 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -15.336 3.330 4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.824 3.035 5.838 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.782 1.718 5.190 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.406 3.718 3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.216 0.404 4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.421 -0.330 2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.358 2.783 1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.358 1.030 1.347 1.00 0.00 H new ATOM 758 N GLY A 47 -14.032 8.011 4.271 1.00 0.00 N ATOM 759 CA GLY A 47 -13.526 9.344 4.547 1.00 0.00 C ATOM 760 C GLY A 47 -14.692 10.262 4.919 1.00 0.00 C ATOM 761 O GLY A 47 -14.686 10.801 6.035 1.00 0.00 O ATOM 0 H GLY A 47 -13.580 7.546 3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.802 9.309 5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.005 9.735 3.673 1.00 0.00 H new ATOM 765 N SER A 48 -15.654 10.419 3.992 1.00 0.00 N ATOM 766 CA SER A 48 -16.813 11.263 4.221 1.00 0.00 C ATOM 767 C SER A 48 -17.328 11.040 5.644 1.00 0.00 C ATOM 768 O SER A 48 -17.392 12.014 6.408 1.00 0.00 O ATOM 769 CB SER A 48 -17.923 10.981 3.205 1.00 0.00 C ATOM 770 OG SER A 48 -17.679 11.622 1.956 1.00 0.00 O ATOM 0 H SER A 48 -15.640 9.966 3.078 1.00 0.00 H new ATOM 0 HA SER A 48 -16.512 12.303 4.097 1.00 0.00 H new ATOM 0 HB2 SER A 48 -18.008 9.905 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.877 11.321 3.607 1.00 0.00 H new ATOM 0 HG SER A 48 -17.005 11.117 1.455 1.00 0.00 H new ATOM 776 N THR A 49 -17.680 9.782 5.967 1.00 0.00 N ATOM 777 CA THR A 49 -18.183 9.438 7.286 1.00 0.00 C ATOM 778 C THR A 49 -17.353 10.161 8.348 1.00 0.00 C ATOM 779 O THR A 49 -17.946 10.842 9.198 1.00 0.00 O ATOM 780 CB THR A 49 -18.166 7.915 7.433 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.859 7.446 6.279 1.00 0.00 O ATOM 782 CG2 THR A 49 -19.022 7.431 8.604 1.00 0.00 C ATOM 0 H THR A 49 -17.621 8.994 5.323 1.00 0.00 H new ATOM 0 HA THR A 49 -19.214 9.765 7.420 1.00 0.00 H new ATOM 0 HB THR A 49 -17.139 7.575 7.569 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.216 7.265 5.562 1.00 0.00 H new ATOM 0 HG21 THR A 49 -18.975 6.344 8.664 1.00 0.00 H new ATOM 0 HG22 THR A 49 -18.646 7.862 9.532 1.00 0.00 H new ATOM 0 HG23 THR A 49 -20.056 7.742 8.452 1.00 0.00 H new ATOM 790 N LEU A 50 -16.019 10.001 8.282 1.00 0.00 N ATOM 791 CA LEU A 50 -15.120 10.634 9.232 1.00 0.00 C ATOM 792 C LEU A 50 -15.187 12.153 9.058 1.00 0.00 C ATOM 793 O LEU A 50 -15.365 12.854 10.064 1.00 0.00 O ATOM 794 CB LEU A 50 -13.707 10.062 9.095 1.00 0.00 C ATOM 795 CG LEU A 50 -13.133 9.387 10.343 1.00 0.00 C ATOM 796 CD1 LEU A 50 -12.204 8.232 9.963 1.00 0.00 C ATOM 797 CD2 LEU A 50 -12.440 10.407 11.248 1.00 0.00 C ATOM 0 H LEU A 50 -15.550 9.435 7.575 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.431 10.416 10.254 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.707 9.337 8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.036 10.870 8.802 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.959 8.961 10.912 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.810 7.769 10.868 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.761 7.491 9.390 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.379 8.612 9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.041 9.901 12.127 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.625 10.883 10.702 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.159 11.164 11.560 1.00 0.00 H new ATOM 809 N GLY A 51 -15.046 12.622 7.804 1.00 0.00 N ATOM 810 CA GLY A 51 -15.091 14.042 7.505 1.00 0.00 C ATOM 811 C GLY A 51 -13.664 14.587 7.425 1.00 0.00 C ATOM 812 O GLY A 51 -13.483 15.798 7.622 1.00 0.00 O ATOM 0 H GLY A 51 -14.900 12.027 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.610 14.210 6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.652 14.570 8.276 1.00 0.00 H new ATOM 816 N LEU A 52 -12.694 13.699 7.141 1.00 0.00 N ATOM 817 CA LEU A 52 -11.299 14.088 7.036 1.00 0.00 C ATOM 818 C LEU A 52 -11.024 14.608 5.623 1.00 0.00 C ATOM 819 O LEU A 52 -11.977 14.715 4.838 1.00 0.00 O ATOM 820 CB LEU A 52 -10.387 12.933 7.455 1.00 0.00 C ATOM 821 CG LEU A 52 -10.829 11.536 7.015 1.00 0.00 C ATOM 822 CD1 LEU A 52 -10.738 11.387 5.495 1.00 0.00 C ATOM 823 CD2 LEU A 52 -10.034 10.454 7.747 1.00 0.00 C ATOM 0 H LEU A 52 -12.864 12.706 6.982 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.078 14.903 7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.390 13.120 7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.301 12.940 8.542 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.876 11.406 7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.058 10.385 5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.383 12.125 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.708 11.545 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.368 9.471 7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.973 10.570 7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.194 10.549 8.821 1.00 0.00 H new ATOM 835 N ASN A 53 -9.746 14.914 5.333 1.00 0.00 N ATOM 836 CA ASN A 53 -9.353 15.417 4.027 1.00 0.00 C ATOM 837 C ASN A 53 -8.434 14.398 3.350 1.00 0.00 C ATOM 838 O ASN A 53 -7.228 14.409 3.638 1.00 0.00 O ATOM 839 CB ASN A 53 -8.588 16.735 4.152 1.00 0.00 C ATOM 840 CG ASN A 53 -8.704 17.561 2.870 1.00 0.00 C ATOM 841 OD1 ASN A 53 -8.860 16.832 1.769 1.00 0.00 O flip ATOM 842 ND2 ASN A 53 -8.657 18.779 2.879 1.00 0.00 N flip ATOM 0 H ASN A 53 -8.975 14.818 5.994 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.258 15.580 3.441 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.978 17.307 4.994 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.538 16.531 4.364 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.535 19.278 3.760 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.739 19.299 2.005 1.00 0.00 H new ATOM 849 N ILE A 54 -9.011 13.554 2.476 1.00 0.00 N ATOM 850 CA ILE A 54 -8.248 12.541 1.767 1.00 0.00 C ATOM 851 C ILE A 54 -6.904 13.129 1.335 1.00 0.00 C ATOM 852 O ILE A 54 -5.913 12.386 1.314 1.00 0.00 O ATOM 853 CB ILE A 54 -9.068 11.965 0.610 1.00 0.00 C ATOM 854 CG1 ILE A 54 -9.785 10.681 1.032 1.00 0.00 C ATOM 855 CG2 ILE A 54 -8.195 11.755 -0.629 1.00 0.00 C ATOM 856 CD1 ILE A 54 -10.617 10.907 2.296 1.00 0.00 C ATOM 0 H ILE A 54 -10.006 13.563 2.251 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.031 11.699 2.424 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.837 12.689 0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.431 10.339 0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.053 9.893 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.802 11.345 -1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.772 12.709 -0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.389 11.061 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.116 9.979 2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.965 11.226 3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.364 11.678 2.107 1.00 0.00 H new ATOM 868 N GLU A 55 -6.897 14.434 1.003 1.00 0.00 N ATOM 869 CA GLU A 55 -5.685 15.113 0.577 1.00 0.00 C ATOM 870 C GLU A 55 -4.676 15.117 1.727 1.00 0.00 C ATOM 871 O GLU A 55 -3.635 14.457 1.601 1.00 0.00 O ATOM 872 CB GLU A 55 -5.977 16.535 0.097 1.00 0.00 C ATOM 873 CG GLU A 55 -4.800 17.098 -0.702 1.00 0.00 C ATOM 874 CD GLU A 55 -4.774 16.521 -2.119 1.00 0.00 C ATOM 875 OE1 GLU A 55 -5.914 16.501 -2.722 1.00 0.00 O ATOM 876 OE2 GLU A 55 -3.707 16.114 -2.604 1.00 0.00 O ATOM 0 H GLU A 55 -7.725 15.029 1.026 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.261 14.574 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.875 16.536 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.179 17.177 0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.874 18.184 -0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.865 16.864 -0.193 1.00 0.00 H new ATOM 883 N ALA A 56 -4.999 15.851 2.808 1.00 0.00 N ATOM 884 CA ALA A 56 -4.126 15.940 3.966 1.00 0.00 C ATOM 885 C ALA A 56 -3.734 14.530 4.412 1.00 0.00 C ATOM 886 O ALA A 56 -2.535 14.290 4.620 1.00 0.00 O ATOM 887 CB ALA A 56 -4.889 16.562 5.138 1.00 0.00 C ATOM 0 H ALA A 56 -5.862 16.388 2.892 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.254 16.536 3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.232 16.628 6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.228 17.561 4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.751 15.941 5.382 1.00 0.00 H new ATOM 893 N ALA A 57 -4.733 13.640 4.547 1.00 0.00 N ATOM 894 CA ALA A 57 -4.492 12.269 4.963 1.00 0.00 C ATOM 895 C ALA A 57 -3.305 11.703 4.181 1.00 0.00 C ATOM 896 O ALA A 57 -2.262 11.444 4.798 1.00 0.00 O ATOM 897 CB ALA A 57 -5.700 11.401 4.600 1.00 0.00 C ATOM 0 H ALA A 57 -5.714 13.858 4.371 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.306 12.262 6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.517 10.373 4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.587 11.782 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.857 11.429 3.522 1.00 0.00 H new ATOM 903 N THR A 58 -3.485 11.526 2.860 1.00 0.00 N ATOM 904 CA THR A 58 -2.436 10.996 2.005 1.00 0.00 C ATOM 905 C THR A 58 -1.152 11.798 2.225 1.00 0.00 C ATOM 906 O THR A 58 -0.065 11.240 2.012 1.00 0.00 O ATOM 907 CB THR A 58 -2.928 11.023 0.556 1.00 0.00 C ATOM 908 OG1 THR A 58 -1.905 10.345 -0.169 1.00 0.00 O ATOM 909 CG2 THR A 58 -2.932 12.433 -0.036 1.00 0.00 C ATOM 0 H THR A 58 -4.353 11.746 2.371 1.00 0.00 H new ATOM 0 HA THR A 58 -2.203 9.960 2.250 1.00 0.00 H new ATOM 0 HB THR A 58 -3.934 10.607 0.506 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.311 9.680 -0.764 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.289 12.395 -1.065 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.589 13.073 0.553 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.920 12.838 -0.018 1.00 0.00 H new ATOM 917 N HIS A 59 -1.299 13.068 2.640 1.00 0.00 N ATOM 918 CA HIS A 59 -0.158 13.934 2.886 1.00 0.00 C ATOM 919 C HIS A 59 0.619 13.416 4.098 1.00 0.00 C ATOM 920 O HIS A 59 1.824 13.158 3.959 1.00 0.00 O ATOM 921 CB HIS A 59 -0.600 15.390 3.043 1.00 0.00 C ATOM 922 CG HIS A 59 0.199 16.368 2.215 1.00 0.00 C ATOM 923 ND1 HIS A 59 0.613 16.093 0.923 1.00 0.00 N ATOM 924 CD2 HIS A 59 0.653 17.621 2.506 1.00 0.00 C ATOM 925 CE1 HIS A 59 1.286 17.139 0.468 1.00 0.00 C ATOM 926 NE2 HIS A 59 1.311 18.085 1.451 1.00 0.00 N ATOM 0 H HIS A 59 -2.203 13.508 2.809 1.00 0.00 H new ATOM 0 HA HIS A 59 0.512 13.913 2.027 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.652 15.471 2.768 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.523 15.671 4.093 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.502 18.147 3.437 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.736 17.228 -0.510 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.761 18.998 1.386 1.00 0.00 H new ATOM 934 N VAL A 60 -0.073 13.277 5.242 1.00 0.00 N ATOM 935 CA VAL A 60 0.548 12.794 6.464 1.00 0.00 C ATOM 936 C VAL A 60 1.092 11.383 6.231 1.00 0.00 C ATOM 937 O VAL A 60 2.189 11.085 6.727 1.00 0.00 O ATOM 938 CB VAL A 60 -0.448 12.867 7.622 1.00 0.00 C ATOM 939 CG1 VAL A 60 -0.251 11.700 8.591 1.00 0.00 C ATOM 940 CG2 VAL A 60 -0.344 14.209 8.351 1.00 0.00 C ATOM 0 H VAL A 60 -1.065 13.496 5.335 1.00 0.00 H new ATOM 0 HA VAL A 60 1.392 13.427 6.739 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.452 12.789 7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.972 11.777 9.405 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.400 10.759 8.062 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.760 11.732 8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.063 14.235 9.170 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.664 14.330 8.749 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.559 15.019 7.654 1.00 0.00 H new ATOM 950 N GLY A 61 0.328 10.557 5.495 1.00 0.00 N ATOM 951 CA GLY A 61 0.730 9.192 5.201 1.00 0.00 C ATOM 952 C GLY A 61 2.082 9.207 4.485 1.00 0.00 C ATOM 953 O GLY A 61 2.961 8.422 4.868 1.00 0.00 O ATOM 0 H GLY A 61 -0.573 10.823 5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.800 8.615 6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.020 8.706 4.577 1.00 0.00 H new ATOM 957 N LYS A 62 2.219 10.085 3.475 1.00 0.00 N ATOM 958 CA LYS A 62 3.453 10.198 2.716 1.00 0.00 C ATOM 959 C LYS A 62 4.601 10.547 3.663 1.00 0.00 C ATOM 960 O LYS A 62 5.725 10.079 3.427 1.00 0.00 O ATOM 961 CB LYS A 62 3.283 11.190 1.563 1.00 0.00 C ATOM 962 CG LYS A 62 4.468 11.118 0.599 1.00 0.00 C ATOM 963 CD LYS A 62 5.444 12.272 0.842 1.00 0.00 C ATOM 964 CE LYS A 62 4.706 13.611 0.901 1.00 0.00 C ATOM 965 NZ LYS A 62 5.534 14.680 0.318 1.00 0.00 N ATOM 0 H LYS A 62 1.482 10.723 3.174 1.00 0.00 H new ATOM 0 HA LYS A 62 3.703 9.244 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.359 10.974 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.193 12.201 1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.986 10.167 0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.108 11.152 -0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.982 12.108 1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.188 12.298 0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.762 13.537 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.463 13.854 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.019 15.583 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.423 14.760 0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.745 14.453 -0.675 1.00 0.00 H new ATOM 979 N GLN A 63 4.303 11.349 4.702 1.00 0.00 N ATOM 980 CA GLN A 63 5.304 11.754 5.674 1.00 0.00 C ATOM 981 C GLN A 63 5.627 10.572 6.590 1.00 0.00 C ATOM 982 O GLN A 63 6.799 10.422 6.967 1.00 0.00 O ATOM 983 CB GLN A 63 4.840 12.966 6.486 1.00 0.00 C ATOM 984 CG GLN A 63 5.484 14.253 5.965 1.00 0.00 C ATOM 985 CD GLN A 63 4.418 15.268 5.546 1.00 0.00 C ATOM 986 OE1 GLN A 63 4.486 15.880 4.493 1.00 0.00 O ATOM 987 NE2 GLN A 63 3.432 15.412 6.428 1.00 0.00 N ATOM 0 H GLN A 63 3.371 11.724 4.880 1.00 0.00 H new ATOM 0 HA GLN A 63 6.207 12.054 5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.755 13.050 6.432 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.097 12.825 7.536 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.119 14.685 6.738 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.127 14.024 5.115 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.436 14.868 7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.672 16.066 6.241 1.00 0.00 H new ATOM 996 N ILE A 64 4.600 9.772 6.925 1.00 0.00 N ATOM 997 CA ILE A 64 4.774 8.616 7.789 1.00 0.00 C ATOM 998 C ILE A 64 5.696 7.607 7.102 1.00 0.00 C ATOM 999 O ILE A 64 6.596 7.079 7.772 1.00 0.00 O ATOM 1000 CB ILE A 64 3.416 8.035 8.187 1.00 0.00 C ATOM 1001 CG1 ILE A 64 3.282 7.952 9.709 1.00 0.00 C ATOM 1002 CG2 ILE A 64 3.180 6.680 7.517 1.00 0.00 C ATOM 1003 CD1 ILE A 64 4.065 6.761 10.265 1.00 0.00 C ATOM 0 H ILE A 64 3.642 9.914 6.604 1.00 0.00 H new ATOM 0 HA ILE A 64 5.256 8.907 8.722 1.00 0.00 H new ATOM 0 HB ILE A 64 2.638 8.710 7.830 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.647 8.874 10.160 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.230 7.859 9.980 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.208 6.290 7.817 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.204 6.801 6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.960 5.983 7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.953 6.726 11.349 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.681 5.838 9.830 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.120 6.869 10.013 1.00 0.00 H new ATOM 1015 N VAL A 65 5.461 7.363 5.800 1.00 0.00 N ATOM 1016 CA VAL A 65 6.264 6.427 5.034 1.00 0.00 C ATOM 1017 C VAL A 65 7.662 7.015 4.822 1.00 0.00 C ATOM 1018 O VAL A 65 8.638 6.254 4.897 1.00 0.00 O ATOM 1019 CB VAL A 65 5.557 6.080 3.722 1.00 0.00 C ATOM 1020 CG1 VAL A 65 6.462 5.245 2.815 1.00 0.00 C ATOM 1021 CG2 VAL A 65 4.232 5.362 3.987 1.00 0.00 C ATOM 0 H VAL A 65 4.716 7.809 5.266 1.00 0.00 H new ATOM 0 HA VAL A 65 6.383 5.491 5.580 1.00 0.00 H new ATOM 0 HB VAL A 65 5.335 7.013 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.935 5.012 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.367 5.808 2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.730 4.318 3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.750 5.127 3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.421 4.440 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.580 6.007 4.575 1.00 0.00 H new ATOM 1031 N GLU A 66 7.727 8.333 4.567 1.00 0.00 N ATOM 1032 CA GLU A 66 8.993 9.013 4.347 1.00 0.00 C ATOM 1033 C GLU A 66 9.845 8.916 5.613 1.00 0.00 C ATOM 1034 O GLU A 66 11.077 8.851 5.491 1.00 0.00 O ATOM 1035 CB GLU A 66 8.784 10.472 3.936 1.00 0.00 C ATOM 1036 CG GLU A 66 9.023 10.660 2.437 1.00 0.00 C ATOM 1037 CD GLU A 66 9.004 12.143 2.060 1.00 0.00 C ATOM 1038 OE1 GLU A 66 9.769 12.937 2.628 1.00 0.00 O ATOM 1039 OE2 GLU A 66 8.156 12.460 1.142 1.00 0.00 O ATOM 0 H GLU A 66 6.910 8.941 4.510 1.00 0.00 H new ATOM 0 HA GLU A 66 9.514 8.524 3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.770 10.783 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.463 11.113 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.983 10.223 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.256 10.128 1.873 1.00 0.00 H new ATOM 1046 N LYS A 67 9.184 8.909 6.785 1.00 0.00 N ATOM 1047 CA LYS A 67 9.876 8.821 8.059 1.00 0.00 C ATOM 1048 C LYS A 67 10.416 7.401 8.245 1.00 0.00 C ATOM 1049 O LYS A 67 11.502 7.254 8.826 1.00 0.00 O ATOM 1050 CB LYS A 67 8.966 9.286 9.197 1.00 0.00 C ATOM 1051 CG LYS A 67 9.504 8.826 10.553 1.00 0.00 C ATOM 1052 CD LYS A 67 9.046 7.400 10.869 1.00 0.00 C ATOM 1053 CE LYS A 67 8.825 7.216 12.372 1.00 0.00 C ATOM 1054 NZ LYS A 67 9.865 7.926 13.137 1.00 0.00 N ATOM 0 H LYS A 67 8.168 8.964 6.863 1.00 0.00 H new ATOM 0 HA LYS A 67 10.734 9.493 8.073 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.887 10.373 9.183 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.961 8.891 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.593 8.870 10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.160 9.504 11.334 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.122 7.184 10.333 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.793 6.688 10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.840 7.592 12.650 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.843 6.155 12.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.000 7.459 14.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.759 7.909 12.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.572 8.912 13.289 1.00 0.00 H new ATOM 1068 N ILE A 68 9.662 6.401 7.756 1.00 0.00 N ATOM 1069 CA ILE A 68 10.063 5.009 7.868 1.00 0.00 C ATOM 1070 C ILE A 68 11.162 4.716 6.846 1.00 0.00 C ATOM 1071 O ILE A 68 11.969 3.806 7.092 1.00 0.00 O ATOM 1072 CB ILE A 68 8.845 4.090 7.741 1.00 0.00 C ATOM 1073 CG1 ILE A 68 8.294 3.719 9.119 1.00 0.00 C ATOM 1074 CG2 ILE A 68 9.177 2.853 6.905 1.00 0.00 C ATOM 1075 CD1 ILE A 68 6.812 3.348 9.035 1.00 0.00 C ATOM 0 H ILE A 68 8.771 6.543 7.280 1.00 0.00 H new ATOM 0 HA ILE A 68 10.483 4.811 8.854 1.00 0.00 H new ATOM 0 HB ILE A 68 8.060 4.633 7.215 1.00 0.00 H new ATOM 0 HG12 ILE A 68 8.860 2.882 9.527 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.425 4.556 9.804 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.295 2.217 6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.488 3.161 5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.985 2.298 7.381 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.445 3.088 10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.246 4.196 8.649 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.688 2.495 8.368 1.00 0.00 H new ATOM 1087 N LEU A 69 11.175 5.479 5.739 1.00 0.00 N ATOM 1088 CA LEU A 69 12.167 5.301 4.692 1.00 0.00 C ATOM 1089 C LEU A 69 13.515 5.841 5.177 1.00 0.00 C ATOM 1090 O LEU A 69 14.551 5.358 4.696 1.00 0.00 O ATOM 1091 CB LEU A 69 11.687 5.934 3.385 1.00 0.00 C ATOM 1092 CG LEU A 69 10.636 5.143 2.604 1.00 0.00 C ATOM 1093 CD1 LEU A 69 10.906 5.209 1.099 1.00 0.00 C ATOM 1094 CD2 LEU A 69 10.549 3.701 3.107 1.00 0.00 C ATOM 0 H LEU A 69 10.503 6.224 5.556 1.00 0.00 H new ATOM 0 HA LEU A 69 12.305 4.242 4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.279 6.919 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.552 6.087 2.739 1.00 0.00 H new ATOM 0 HG LEU A 69 9.664 5.604 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.144 4.639 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.877 6.248 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.889 4.788 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.795 3.161 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.516 3.214 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.274 3.700 4.162 1.00 0.00 H new ATOM 1106 N LYS A 70 13.476 6.815 6.103 1.00 0.00 N ATOM 1107 CA LYS A 70 14.685 7.412 6.645 1.00 0.00 C ATOM 1108 C LYS A 70 15.379 6.403 7.562 1.00 0.00 C ATOM 1109 O LYS A 70 16.618 6.414 7.619 1.00 0.00 O ATOM 1110 CB LYS A 70 14.366 8.745 7.326 1.00 0.00 C ATOM 1111 CG LYS A 70 14.299 8.582 8.846 1.00 0.00 C ATOM 1112 CD LYS A 70 15.698 8.607 9.462 1.00 0.00 C ATOM 1113 CE LYS A 70 15.833 7.551 10.561 1.00 0.00 C ATOM 1114 NZ LYS A 70 16.363 8.154 11.794 1.00 0.00 N ATOM 0 H LYS A 70 12.612 7.199 6.486 1.00 0.00 H new ATOM 0 HA LYS A 70 15.385 7.650 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.128 9.480 7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.415 9.128 6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.695 9.381 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.806 7.642 9.093 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.443 8.428 8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.899 9.595 9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.862 7.098 10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.495 6.752 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.448 7.423 12.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.299 8.565 11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.717 8.900 12.121 1.00 0.00 H new ATOM 1128 N GLU A 71 14.582 5.566 8.251 1.00 0.00 N ATOM 1129 CA GLU A 71 15.118 4.563 9.155 1.00 0.00 C ATOM 1130 C GLU A 71 15.349 3.262 8.385 1.00 0.00 C ATOM 1131 O GLU A 71 15.820 2.290 8.997 1.00 0.00 O ATOM 1132 CB GLU A 71 14.192 4.335 10.351 1.00 0.00 C ATOM 1133 CG GLU A 71 12.723 4.389 9.927 1.00 0.00 C ATOM 1134 CD GLU A 71 11.797 4.301 11.142 1.00 0.00 C ATOM 1135 OE1 GLU A 71 11.525 3.196 11.636 1.00 0.00 O ATOM 1136 OE2 GLU A 71 11.356 5.434 11.575 1.00 0.00 O ATOM 0 H GLU A 71 13.564 5.574 8.190 1.00 0.00 H new ATOM 0 HA GLU A 71 16.068 4.920 9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 71 14.408 3.367 10.803 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.382 5.092 11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.531 5.315 9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.508 3.569 9.242 1.00 0.00 H new ATOM 1143 N GLU A 72 15.022 3.266 7.080 1.00 0.00 N ATOM 1144 CA GLU A 72 15.194 2.094 6.239 1.00 0.00 C ATOM 1145 C GLU A 72 16.477 2.243 5.421 1.00 0.00 C ATOM 1146 O GLU A 72 17.550 1.894 5.937 1.00 0.00 O ATOM 1147 CB GLU A 72 13.985 1.874 5.327 1.00 0.00 C ATOM 1148 CG GLU A 72 12.877 1.116 6.060 1.00 0.00 C ATOM 1149 CD GLU A 72 12.855 -0.357 5.646 1.00 0.00 C ATOM 1150 OE1 GLU A 72 13.603 -1.133 6.354 1.00 0.00 O ATOM 1151 OE2 GLU A 72 12.152 -0.723 4.691 1.00 0.00 O ATOM 0 H GLU A 72 14.637 4.076 6.595 1.00 0.00 H new ATOM 0 HA GLU A 72 15.274 1.214 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.606 2.836 4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.289 1.315 4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.030 1.193 7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.912 1.574 5.841 1.00 0.00 H new ATOM 1158 N SER A 73 16.348 2.749 4.181 1.00 0.00 N ATOM 1159 CA SER A 73 17.489 2.940 3.304 1.00 0.00 C ATOM 1160 C SER A 73 18.644 3.549 4.102 1.00 0.00 C ATOM 1161 O SER A 73 19.716 2.956 4.198 1.00 0.00 O ATOM 1162 CB SER A 73 17.137 3.836 2.114 1.00 0.00 C ATOM 1163 OG SER A 73 16.893 5.182 2.513 1.00 0.00 O ATOM 0 H SER A 73 15.456 3.030 3.774 1.00 0.00 H new ATOM 0 HA SER A 73 17.787 1.969 2.907 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.952 3.814 1.390 1.00 0.00 H new ATOM 0 HB3 SER A 73 16.254 3.441 1.612 1.00 0.00 H new ATOM 0 HG SER A 73 16.162 5.202 3.166 1.00 0.00 H new TER 1169 SER A 73 ATOM 1170 N MET B 1 1.552 -11.460 -22.954 1.00 0.00 N ATOM 1171 CA MET B 1 1.195 -10.052 -22.993 1.00 0.00 C ATOM 1172 C MET B 1 2.065 -9.281 -21.999 1.00 0.00 C ATOM 1173 O MET B 1 1.515 -8.757 -21.019 1.00 0.00 O ATOM 1174 CB MET B 1 -0.281 -9.869 -22.632 1.00 0.00 C ATOM 1175 CG MET B 1 -1.183 -10.231 -23.813 1.00 0.00 C ATOM 1176 SD MET B 1 -1.544 -8.749 -24.800 1.00 0.00 S ATOM 1177 CE MET B 1 -3.338 -8.625 -24.540 1.00 0.00 C ATOM 0 H1 MET B 1 0.718 -12.036 -23.187 1.00 0.00 H new ATOM 0 H2 MET B 1 2.306 -11.646 -23.646 1.00 0.00 H new ATOM 0 H3 MET B 1 1.888 -11.707 -22.001 1.00 0.00 H new ATOM 0 HA MET B 1 1.361 -9.671 -24.001 1.00 0.00 H new ATOM 0 HB2 MET B 1 -0.530 -10.495 -21.775 1.00 0.00 H new ATOM 0 HB3 MET B 1 -0.461 -8.836 -22.336 1.00 0.00 H new ATOM 0 HG2 MET B 1 -0.697 -10.982 -24.435 1.00 0.00 H new ATOM 0 HG3 MET B 1 -2.112 -10.671 -23.450 1.00 0.00 H new ATOM 0 HE1 MET B 1 -3.725 -7.761 -25.081 1.00 0.00 H new ATOM 0 HE2 MET B 1 -3.822 -9.530 -24.907 1.00 0.00 H new ATOM 0 HE3 MET B 1 -3.544 -8.509 -23.476 1.00 0.00 H new ATOM 1187 N ASP B 2 3.381 -9.229 -22.265 1.00 0.00 N ATOM 1188 CA ASP B 2 4.315 -8.528 -21.400 1.00 0.00 C ATOM 1189 C ASP B 2 4.287 -9.162 -20.007 1.00 0.00 C ATOM 1190 O ASP B 2 3.971 -10.357 -19.909 1.00 0.00 O ATOM 1191 CB ASP B 2 3.932 -7.054 -21.256 1.00 0.00 C ATOM 1192 CG ASP B 2 3.828 -6.281 -22.572 1.00 0.00 C ATOM 1193 OD1 ASP B 2 4.824 -6.109 -23.292 1.00 0.00 O ATOM 1194 OD2 ASP B 2 2.649 -5.840 -22.854 1.00 0.00 O ATOM 0 H ASP B 2 3.813 -9.669 -23.078 1.00 0.00 H new ATOM 0 HA ASP B 2 5.307 -8.601 -21.845 1.00 0.00 H new ATOM 0 HB2 ASP B 2 2.974 -6.992 -20.739 1.00 0.00 H new ATOM 0 HB3 ASP B 2 4.669 -6.563 -20.621 1.00 0.00 H new ATOM 1199 N SER B 3 4.611 -8.363 -18.975 1.00 0.00 N ATOM 1200 CA SER B 3 4.623 -8.843 -17.603 1.00 0.00 C ATOM 1201 C SER B 3 4.186 -7.713 -16.669 1.00 0.00 C ATOM 1202 O SER B 3 4.784 -7.574 -15.592 1.00 0.00 O ATOM 1203 CB SER B 3 6.007 -9.358 -17.202 1.00 0.00 C ATOM 1204 OG SER B 3 7.053 -8.562 -17.749 1.00 0.00 O ATOM 0 H SER B 3 4.867 -7.381 -19.077 1.00 0.00 H new ATOM 0 HA SER B 3 3.927 -9.678 -17.522 1.00 0.00 H new ATOM 0 HB2 SER B 3 6.089 -9.367 -16.115 1.00 0.00 H new ATOM 0 HB3 SER B 3 6.122 -10.388 -17.539 1.00 0.00 H new ATOM 0 HG SER B 3 7.920 -8.923 -17.468 1.00 0.00 H new ATOM 1210 N ASN B 4 3.167 -6.942 -17.091 1.00 0.00 N ATOM 1211 CA ASN B 4 2.658 -5.837 -16.297 1.00 0.00 C ATOM 1212 C ASN B 4 2.144 -6.371 -14.958 1.00 0.00 C ATOM 1213 O ASN B 4 2.237 -5.644 -13.959 1.00 0.00 O ATOM 1214 CB ASN B 4 1.493 -5.141 -17.006 1.00 0.00 C ATOM 1215 CG ASN B 4 1.718 -3.630 -17.073 1.00 0.00 C ATOM 1216 OD1 ASN B 4 2.762 -3.114 -16.710 1.00 0.00 O ATOM 1217 ND2 ASN B 4 0.681 -2.949 -17.555 1.00 0.00 N ATOM 0 H ASN B 4 2.687 -7.074 -17.981 1.00 0.00 H new ATOM 0 HA ASN B 4 3.470 -5.125 -16.150 1.00 0.00 H new ATOM 0 HB2 ASN B 4 1.384 -5.541 -18.014 1.00 0.00 H new ATOM 0 HB3 ASN B 4 0.563 -5.351 -16.478 1.00 0.00 H new ATOM 0 HD21 ASN B 4 0.732 -1.934 -17.638 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.165 -3.442 -17.841 1.00 0.00 H new ATOM 1224 N THR B 5 1.622 -7.610 -14.964 1.00 0.00 N ATOM 1225 CA THR B 5 1.101 -8.232 -13.758 1.00 0.00 C ATOM 1226 C THR B 5 2.230 -8.377 -12.736 1.00 0.00 C ATOM 1227 O THR B 5 2.023 -8.004 -11.572 1.00 0.00 O ATOM 1228 CB THR B 5 0.450 -9.564 -14.138 1.00 0.00 C ATOM 1229 OG1 THR B 5 -0.932 -9.247 -14.279 1.00 0.00 O ATOM 1230 CG2 THR B 5 0.483 -10.578 -12.993 1.00 0.00 C ATOM 0 H THR B 5 1.555 -8.193 -15.798 1.00 0.00 H new ATOM 0 HA THR B 5 0.333 -7.617 -13.289 1.00 0.00 H new ATOM 0 HB THR B 5 0.957 -9.981 -15.008 1.00 0.00 H new ATOM 0 HG1 THR B 5 -1.429 -10.054 -14.526 1.00 0.00 H new ATOM 0 HG21 THR B 5 0.009 -11.505 -13.314 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.517 -10.777 -12.713 1.00 0.00 H new ATOM 0 HG23 THR B 5 -0.054 -10.175 -12.134 1.00 0.00 H new ATOM 1238 N VAL B 6 3.382 -8.908 -13.182 1.00 0.00 N ATOM 1239 CA VAL B 6 4.530 -9.099 -12.312 1.00 0.00 C ATOM 1240 C VAL B 6 4.782 -7.816 -11.519 1.00 0.00 C ATOM 1241 O VAL B 6 5.075 -7.912 -10.317 1.00 0.00 O ATOM 1242 CB VAL B 6 5.742 -9.541 -13.134 1.00 0.00 C ATOM 1243 CG1 VAL B 6 7.043 -9.029 -12.513 1.00 0.00 C ATOM 1244 CG2 VAL B 6 5.772 -11.063 -13.292 1.00 0.00 C ATOM 0 H VAL B 6 3.532 -9.210 -14.145 1.00 0.00 H new ATOM 0 HA VAL B 6 4.335 -9.894 -11.592 1.00 0.00 H new ATOM 0 HB VAL B 6 5.650 -9.102 -14.128 1.00 0.00 H new ATOM 0 HG11 VAL B 6 7.889 -9.358 -13.117 1.00 0.00 H new ATOM 0 HG12 VAL B 6 7.025 -7.940 -12.476 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.144 -9.424 -11.502 1.00 0.00 H new ATOM 0 HG21 VAL B 6 6.643 -11.351 -13.880 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.828 -11.530 -12.309 1.00 0.00 H new ATOM 0 HG23 VAL B 6 4.866 -11.394 -13.800 1.00 0.00 H new ATOM 1254 N SER B 7 4.666 -6.658 -12.193 1.00 0.00 N ATOM 1255 CA SER B 7 4.879 -5.370 -11.555 1.00 0.00 C ATOM 1256 C SER B 7 3.905 -5.218 -10.385 1.00 0.00 C ATOM 1257 O SER B 7 4.366 -5.173 -9.235 1.00 0.00 O ATOM 1258 CB SER B 7 4.704 -4.218 -12.546 1.00 0.00 C ATOM 1259 OG SER B 7 5.632 -4.294 -13.623 1.00 0.00 O ATOM 0 H SER B 7 4.425 -6.600 -13.182 1.00 0.00 H new ATOM 0 HA SER B 7 5.904 -5.331 -11.187 1.00 0.00 H new ATOM 0 HB2 SER B 7 3.688 -4.231 -12.941 1.00 0.00 H new ATOM 0 HB3 SER B 7 4.831 -3.269 -12.025 1.00 0.00 H new ATOM 0 HG SER B 7 5.486 -3.542 -14.234 1.00 0.00 H new ATOM 1265 N SER B 8 2.599 -5.142 -10.695 1.00 0.00 N ATOM 1266 CA SER B 8 1.572 -4.997 -9.677 1.00 0.00 C ATOM 1267 C SER B 8 1.903 -5.906 -8.492 1.00 0.00 C ATOM 1268 O SER B 8 1.644 -5.502 -7.349 1.00 0.00 O ATOM 1269 CB SER B 8 0.184 -5.327 -10.229 1.00 0.00 C ATOM 1270 OG SER B 8 -0.766 -4.307 -9.933 1.00 0.00 O ATOM 0 H SER B 8 2.240 -5.180 -11.649 1.00 0.00 H new ATOM 0 HA SER B 8 1.554 -3.958 -9.349 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.246 -5.462 -11.309 1.00 0.00 H new ATOM 0 HB3 SER B 8 -0.157 -6.273 -9.809 1.00 0.00 H new ATOM 0 HG SER B 8 -1.610 -4.503 -10.391 1.00 0.00 H new ATOM 1276 N PHE B 9 2.457 -7.097 -8.783 1.00 0.00 N ATOM 1277 CA PHE B 9 2.818 -8.051 -7.749 1.00 0.00 C ATOM 1278 C PHE B 9 3.902 -7.444 -6.856 1.00 0.00 C ATOM 1279 O PHE B 9 3.691 -7.372 -5.636 1.00 0.00 O ATOM 1280 CB PHE B 9 3.317 -9.350 -8.409 1.00 0.00 C ATOM 1281 CG PHE B 9 3.121 -10.606 -7.570 1.00 0.00 C ATOM 1282 CD1 PHE B 9 3.926 -10.829 -6.430 1.00 0.00 C ATOM 1283 CD2 PHE B 9 2.127 -11.551 -7.920 1.00 0.00 C ATOM 1284 CE1 PHE B 9 3.743 -11.989 -5.647 1.00 0.00 C ATOM 1285 CE2 PHE B 9 1.945 -12.711 -7.138 1.00 0.00 C ATOM 1286 CZ PHE B 9 2.753 -12.931 -6.002 1.00 0.00 C ATOM 0 H PHE B 9 2.660 -7.411 -9.732 1.00 0.00 H new ATOM 0 HA PHE B 9 1.950 -8.284 -7.132 1.00 0.00 H new ATOM 0 HB2 PHE B 9 2.800 -9.480 -9.360 1.00 0.00 H new ATOM 0 HB3 PHE B 9 4.378 -9.242 -8.635 1.00 0.00 H new ATOM 0 HD1 PHE B 9 4.684 -10.109 -6.157 1.00 0.00 H new ATOM 0 HD2 PHE B 9 1.506 -11.384 -8.788 1.00 0.00 H new ATOM 0 HE1 PHE B 9 4.360 -12.156 -4.777 1.00 0.00 H new ATOM 0 HE2 PHE B 9 1.187 -13.431 -7.409 1.00 0.00 H new ATOM 0 HZ PHE B 9 2.614 -13.820 -5.404 1.00 0.00 H new ATOM 1296 N GLN B 10 5.024 -7.025 -7.471 1.00 0.00 N ATOM 1297 CA GLN B 10 6.128 -6.431 -6.737 1.00 0.00 C ATOM 1298 C GLN B 10 5.589 -5.345 -5.803 1.00 0.00 C ATOM 1299 O GLN B 10 5.966 -5.343 -4.622 1.00 0.00 O ATOM 1300 CB GLN B 10 7.189 -5.864 -7.681 1.00 0.00 C ATOM 1301 CG GLN B 10 8.357 -6.840 -7.843 1.00 0.00 C ATOM 1302 CD GLN B 10 8.729 -7.011 -9.317 1.00 0.00 C ATOM 1303 OE1 GLN B 10 8.626 -6.099 -10.120 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.166 -8.229 -9.627 1.00 0.00 N ATOM 0 H GLN B 10 5.178 -7.093 -8.477 1.00 0.00 H new ATOM 0 HA GLN B 10 6.612 -7.208 -6.145 1.00 0.00 H new ATOM 0 HB2 GLN B 10 6.743 -5.660 -8.655 1.00 0.00 H new ATOM 0 HB3 GLN B 10 7.556 -4.914 -7.293 1.00 0.00 H new ATOM 0 HG2 GLN B 10 9.220 -6.475 -7.287 1.00 0.00 H new ATOM 0 HG3 GLN B 10 8.089 -7.807 -7.417 1.00 0.00 H new ATOM 0 HE21 GLN B 10 9.228 -8.948 -8.906 1.00 0.00 H new ATOM 0 HE22 GLN B 10 9.439 -8.444 -10.586 1.00 0.00 H new ATOM 1313 N VAL B 11 4.731 -4.460 -6.341 1.00 0.00 N ATOM 1314 CA VAL B 11 4.147 -3.381 -5.562 1.00 0.00 C ATOM 1315 C VAL B 11 3.448 -3.967 -4.334 1.00 0.00 C ATOM 1316 O VAL B 11 3.728 -3.503 -3.218 1.00 0.00 O ATOM 1317 CB VAL B 11 3.214 -2.547 -6.440 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.545 -1.436 -5.629 1.00 0.00 C ATOM 1319 CG2 VAL B 11 3.964 -1.971 -7.644 1.00 0.00 C ATOM 0 H VAL B 11 4.433 -4.481 -7.316 1.00 0.00 H new ATOM 0 HA VAL B 11 4.923 -2.705 -5.203 1.00 0.00 H new ATOM 0 HB VAL B 11 2.431 -3.205 -6.816 1.00 0.00 H new ATOM 0 HG11 VAL B 11 1.887 -0.858 -6.278 1.00 0.00 H new ATOM 0 HG12 VAL B 11 1.962 -1.877 -4.820 1.00 0.00 H new ATOM 0 HG13 VAL B 11 3.309 -0.781 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL B 11 3.278 -1.382 -8.252 1.00 0.00 H new ATOM 0 HG22 VAL B 11 4.777 -1.335 -7.296 1.00 0.00 H new ATOM 0 HG23 VAL B 11 4.372 -2.786 -8.243 1.00 0.00 H new ATOM 1329 N ASP B 12 2.566 -4.957 -4.557 1.00 0.00 N ATOM 1330 CA ASP B 12 1.835 -5.596 -3.477 1.00 0.00 C ATOM 1331 C ASP B 12 2.812 -5.978 -2.363 1.00 0.00 C ATOM 1332 O ASP B 12 2.530 -5.660 -1.198 1.00 0.00 O ATOM 1333 CB ASP B 12 1.145 -6.875 -3.959 1.00 0.00 C ATOM 1334 CG ASP B 12 -0.254 -7.110 -3.386 1.00 0.00 C ATOM 1335 OD1 ASP B 12 -0.629 -6.525 -2.359 1.00 0.00 O ATOM 1336 OD2 ASP B 12 -0.981 -7.945 -4.047 1.00 0.00 O ATOM 0 H ASP B 12 2.350 -5.325 -5.483 1.00 0.00 H new ATOM 0 HA ASP B 12 1.083 -4.894 -3.117 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.076 -6.845 -5.046 1.00 0.00 H new ATOM 0 HB3 ASP B 12 1.774 -7.728 -3.703 1.00 0.00 H new ATOM 1341 N CYS B 13 3.921 -6.640 -2.735 1.00 0.00 N ATOM 1342 CA CYS B 13 4.927 -7.060 -1.774 1.00 0.00 C ATOM 1343 C CYS B 13 5.397 -5.844 -0.972 1.00 0.00 C ATOM 1344 O CYS B 13 5.396 -5.918 0.266 1.00 0.00 O ATOM 1345 CB CYS B 13 6.091 -7.770 -2.468 1.00 0.00 C ATOM 1346 SG CYS B 13 6.862 -9.097 -1.495 1.00 0.00 S ATOM 0 H CYS B 13 4.134 -6.891 -3.700 1.00 0.00 H new ATOM 0 HA CYS B 13 4.489 -7.782 -1.085 1.00 0.00 H new ATOM 0 HB2 CYS B 13 5.734 -8.189 -3.409 1.00 0.00 H new ATOM 0 HB3 CYS B 13 6.853 -7.031 -2.717 1.00 0.00 H new ATOM 0 HG CYS B 13 8.155 -9.019 -1.602 1.00 0.00 H new ATOM 1352 N PHE B 14 5.783 -4.767 -1.680 1.00 0.00 N ATOM 1353 CA PHE B 14 6.250 -3.551 -1.037 1.00 0.00 C ATOM 1354 C PHE B 14 5.179 -3.049 -0.066 1.00 0.00 C ATOM 1355 O PHE B 14 5.546 -2.526 0.997 1.00 0.00 O ATOM 1356 CB PHE B 14 6.550 -2.491 -2.115 1.00 0.00 C ATOM 1357 CG PHE B 14 6.887 -1.109 -1.570 1.00 0.00 C ATOM 1358 CD1 PHE B 14 8.170 -0.852 -1.035 1.00 0.00 C ATOM 1359 CD2 PHE B 14 5.923 -0.074 -1.604 1.00 0.00 C ATOM 1360 CE1 PHE B 14 8.486 0.428 -0.534 1.00 0.00 C ATOM 1361 CE2 PHE B 14 6.241 1.207 -1.102 1.00 0.00 C ATOM 1362 CZ PHE B 14 7.522 1.457 -0.567 1.00 0.00 C ATOM 0 H PHE B 14 5.776 -4.726 -2.699 1.00 0.00 H new ATOM 0 HA PHE B 14 7.164 -3.748 -0.476 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.383 -2.839 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.685 -2.407 -2.773 1.00 0.00 H new ATOM 0 HD1 PHE B 14 8.910 -1.638 -1.010 1.00 0.00 H new ATOM 0 HD2 PHE B 14 4.942 -0.264 -2.015 1.00 0.00 H new ATOM 0 HE1 PHE B 14 9.467 0.620 -0.125 1.00 0.00 H new ATOM 0 HE2 PHE B 14 5.503 1.995 -1.128 1.00 0.00 H new ATOM 0 HZ PHE B 14 7.765 2.437 -0.183 1.00 0.00 H new ATOM 1372 N LEU B 15 3.899 -3.214 -0.443 1.00 0.00 N ATOM 1373 CA LEU B 15 2.789 -2.781 0.388 1.00 0.00 C ATOM 1374 C LEU B 15 2.822 -3.545 1.714 1.00 0.00 C ATOM 1375 O LEU B 15 2.721 -2.901 2.769 1.00 0.00 O ATOM 1376 CB LEU B 15 1.466 -2.920 -0.368 1.00 0.00 C ATOM 1377 CG LEU B 15 0.265 -2.192 0.241 1.00 0.00 C ATOM 1378 CD1 LEU B 15 -1.038 -2.929 -0.072 1.00 0.00 C ATOM 1379 CD2 LEU B 15 0.457 -1.981 1.744 1.00 0.00 C ATOM 0 H LEU B 15 3.619 -3.647 -1.323 1.00 0.00 H new ATOM 0 HA LEU B 15 2.883 -1.722 0.626 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.611 -2.553 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.223 -3.980 -0.443 1.00 0.00 H new ATOM 0 HG LEU B 15 0.195 -1.205 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.876 -2.391 0.372 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.174 -2.985 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.994 -3.937 0.341 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.410 -1.462 2.152 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.566 -2.947 2.236 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.352 -1.383 1.916 1.00 0.00 H new ATOM 1391 N TRP B 16 2.960 -4.881 1.636 1.00 0.00 N ATOM 1392 CA TRP B 16 3.006 -5.720 2.821 1.00 0.00 C ATOM 1393 C TRP B 16 4.125 -5.234 3.742 1.00 0.00 C ATOM 1394 O TRP B 16 3.857 -5.021 4.934 1.00 0.00 O ATOM 1395 CB TRP B 16 3.155 -7.190 2.423 1.00 0.00 C ATOM 1396 CG TRP B 16 3.089 -8.163 3.601 1.00 0.00 C ATOM 1397 CD1 TRP B 16 2.028 -8.847 4.050 1.00 0.00 C ATOM 1398 CD2 TRP B 16 4.181 -8.537 4.470 1.00 0.00 C ATOM 1399 NE1 TRP B 16 2.353 -9.630 5.139 1.00 0.00 N ATOM 1400 CE2 TRP B 16 3.703 -9.435 5.403 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.526 -8.129 4.467 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 4.504 -10.002 6.401 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 6.313 -8.704 5.471 1.00 0.00 C ATOM 1404 CH2 TRP B 16 5.848 -9.610 6.417 1.00 0.00 C ATOM 0 H TRP B 16 3.041 -5.392 0.757 1.00 0.00 H new ATOM 0 HA TRP B 16 2.071 -5.644 3.376 1.00 0.00 H new ATOM 0 HB2 TRP B 16 2.370 -7.444 1.711 1.00 0.00 H new ATOM 0 HB3 TRP B 16 4.107 -7.322 1.909 1.00 0.00 H new ATOM 0 HD1 TRP B 16 1.041 -8.792 3.614 1.00 0.00 H new ATOM 0 HE1 TRP B 16 1.719 -10.240 5.655 1.00 0.00 H new ATOM 0 HE3 TRP B 16 5.921 -7.427 3.747 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 4.107 -10.704 7.120 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 7.355 -8.424 5.514 1.00 0.00 H new ATOM 0 HH2 TRP B 16 6.521 -10.010 7.161 1.00 0.00 H new ATOM 1415 N HIS B 17 5.338 -5.070 3.183 1.00 0.00 N ATOM 1416 CA HIS B 17 6.484 -4.613 3.950 1.00 0.00 C ATOM 1417 C HIS B 17 6.143 -3.285 4.627 1.00 0.00 C ATOM 1418 O HIS B 17 6.356 -3.171 5.842 1.00 0.00 O ATOM 1419 CB HIS B 17 7.733 -4.528 3.070 1.00 0.00 C ATOM 1420 CG HIS B 17 8.366 -5.864 2.770 1.00 0.00 C ATOM 1421 ND1 HIS B 17 8.044 -6.817 1.848 1.00 0.00 N flip ATOM 1422 CD2 HIS B 17 9.465 -6.345 3.462 1.00 0.00 C flip ATOM 1423 CE1 HIS B 17 8.901 -7.824 1.968 1.00 0.00 C flip ATOM 1424 NE2 HIS B 17 9.782 -7.534 2.968 1.00 0.00 N flip ATOM 0 H HIS B 17 5.538 -5.251 2.199 1.00 0.00 H new ATOM 0 HA HIS B 17 6.716 -5.335 4.733 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.470 -4.043 2.130 1.00 0.00 H new ATOM 0 HB3 HIS B 17 8.469 -3.892 3.562 1.00 0.00 H new ATOM 0 HD1 HIS B 17 7.275 -6.765 1.180 1.00 0.00 H new ATOM 0 HD2 HIS B 17 9.977 -5.838 4.267 1.00 0.00 H new ATOM 0 HE1 HIS B 17 8.901 -8.725 1.372 1.00 0.00 H new ATOM 1432 N VAL B 18 5.630 -2.322 3.839 1.00 0.00 N ATOM 1433 CA VAL B 18 5.265 -1.015 4.359 1.00 0.00 C ATOM 1434 C VAL B 18 4.233 -1.186 5.477 1.00 0.00 C ATOM 1435 O VAL B 18 4.307 -0.444 6.467 1.00 0.00 O ATOM 1436 CB VAL B 18 4.770 -0.120 3.223 1.00 0.00 C ATOM 1437 CG1 VAL B 18 3.282 0.196 3.380 1.00 0.00 C ATOM 1438 CG2 VAL B 18 5.597 1.166 3.138 1.00 0.00 C ATOM 0 H VAL B 18 5.463 -2.437 2.839 1.00 0.00 H new ATOM 0 HA VAL B 18 6.135 -0.519 4.791 1.00 0.00 H new ATOM 0 HB VAL B 18 4.899 -0.665 2.288 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.957 0.834 2.558 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.710 -0.732 3.367 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.117 0.711 4.326 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.224 1.785 2.322 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.514 1.714 4.076 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.642 0.915 2.955 1.00 0.00 H new ATOM 1448 N ARG B 19 3.308 -2.146 5.300 1.00 0.00 N ATOM 1449 CA ARG B 19 2.273 -2.409 6.287 1.00 0.00 C ATOM 1450 C ARG B 19 2.925 -2.874 7.590 1.00 0.00 C ATOM 1451 O ARG B 19 2.641 -2.275 8.637 1.00 0.00 O ATOM 1452 CB ARG B 19 1.294 -3.481 5.803 1.00 0.00 C ATOM 1453 CG ARG B 19 -0.066 -3.329 6.489 1.00 0.00 C ATOM 1454 CD ARG B 19 -1.081 -4.321 5.916 1.00 0.00 C ATOM 1455 NE ARG B 19 -1.005 -4.327 4.438 1.00 0.00 N ATOM 1456 CZ ARG B 19 -1.245 -5.413 3.673 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -1.575 -6.567 4.268 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -1.155 -5.337 2.338 1.00 0.00 N ATOM 0 H ARG B 19 3.265 -2.748 4.477 1.00 0.00 H new ATOM 0 HA ARG B 19 1.715 -1.487 6.447 1.00 0.00 H new ATOM 0 HB2 ARG B 19 1.171 -3.406 4.723 1.00 0.00 H new ATOM 0 HB3 ARG B 19 1.701 -4.471 6.009 1.00 0.00 H new ATOM 0 HG2 ARG B 19 0.043 -3.492 7.561 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -0.432 -2.311 6.357 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.883 -5.321 6.302 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -2.087 -4.050 6.235 1.00 0.00 H new ATOM 0 HE ARG B 19 -0.756 -3.457 3.968 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -1.642 -6.616 5.285 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -1.760 -7.397 3.704 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -0.904 -4.454 1.893 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -1.338 -6.162 1.767 1.00 0.00 H new ATOM 1472 N LYS B 20 3.771 -3.916 7.503 1.00 0.00 N ATOM 1473 CA LYS B 20 4.454 -4.453 8.668 1.00 0.00 C ATOM 1474 C LYS B 20 5.240 -3.334 9.353 1.00 0.00 C ATOM 1475 O LYS B 20 5.408 -3.397 10.580 1.00 0.00 O ATOM 1476 CB LYS B 20 5.312 -5.659 8.278 1.00 0.00 C ATOM 1477 CG LYS B 20 6.799 -5.301 8.297 1.00 0.00 C ATOM 1478 CD LYS B 20 7.385 -5.465 9.700 1.00 0.00 C ATOM 1479 CE LYS B 20 8.501 -4.449 9.950 1.00 0.00 C ATOM 1480 NZ LYS B 20 9.802 -5.129 10.056 1.00 0.00 N ATOM 0 H LYS B 20 3.991 -4.396 6.630 1.00 0.00 H new ATOM 0 HA LYS B 20 3.732 -4.827 9.394 1.00 0.00 H new ATOM 0 HB2 LYS B 20 5.123 -6.482 8.967 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.030 -6.005 7.283 1.00 0.00 H new ATOM 0 HG2 LYS B 20 7.339 -5.938 7.597 1.00 0.00 H new ATOM 0 HG3 LYS B 20 6.933 -4.273 7.961 1.00 0.00 H new ATOM 0 HD2 LYS B 20 6.599 -5.337 10.444 1.00 0.00 H new ATOM 0 HD3 LYS B 20 7.775 -6.476 9.819 1.00 0.00 H new ATOM 0 HE2 LYS B 20 8.529 -3.723 9.138 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.298 -3.895 10.866 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 10.549 -4.425 10.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 9.777 -5.805 10.846 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 10.001 -5.638 9.171 1.00 0.00 H new ATOM 1494 N GLN B 21 5.700 -2.349 8.562 1.00 0.00 N ATOM 1495 CA GLN B 21 6.461 -1.229 9.090 1.00 0.00 C ATOM 1496 C GLN B 21 5.523 -0.303 9.867 1.00 0.00 C ATOM 1497 O GLN B 21 5.958 0.255 10.886 1.00 0.00 O ATOM 1498 CB GLN B 21 7.186 -0.468 7.978 1.00 0.00 C ATOM 1499 CG GLN B 21 8.661 -0.261 8.327 1.00 0.00 C ATOM 1500 CD GLN B 21 9.553 -1.199 7.510 1.00 0.00 C ATOM 1501 OE1 GLN B 21 10.671 -0.872 7.144 1.00 0.00 O ATOM 1502 NE2 GLN B 21 9.001 -2.379 7.245 1.00 0.00 N ATOM 0 H GLN B 21 5.552 -2.316 7.553 1.00 0.00 H new ATOM 0 HA GLN B 21 7.227 -1.613 9.763 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.104 -1.020 7.042 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.707 0.498 7.821 1.00 0.00 H new ATOM 0 HG2 GLN B 21 8.942 0.774 8.134 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.816 -0.441 9.391 1.00 0.00 H new ATOM 0 HE21 GLN B 21 8.061 -2.589 7.581 1.00 0.00 H new ATOM 0 HE22 GLN B 21 9.517 -3.074 6.706 1.00 0.00 H new ATOM 1511 N VAL B 22 4.278 -0.158 9.380 1.00 0.00 N ATOM 1512 CA VAL B 22 3.293 0.692 10.025 1.00 0.00 C ATOM 1513 C VAL B 22 2.935 0.106 11.392 1.00 0.00 C ATOM 1514 O VAL B 22 3.046 0.829 12.391 1.00 0.00 O ATOM 1515 CB VAL B 22 2.076 0.868 9.113 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.838 1.261 9.921 1.00 0.00 C ATOM 1517 CG2 VAL B 22 2.361 1.892 8.012 1.00 0.00 C ATOM 0 H VAL B 22 3.941 -0.625 8.538 1.00 0.00 H new ATOM 0 HA VAL B 22 3.702 1.688 10.196 1.00 0.00 H new ATOM 0 HB VAL B 22 1.873 -0.090 8.635 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.012 1.380 9.249 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.618 0.482 10.651 1.00 0.00 H new ATOM 0 HG13 VAL B 22 1.025 2.202 10.439 1.00 0.00 H new ATOM 0 HG21 VAL B 22 1.481 1.999 7.378 1.00 0.00 H new ATOM 0 HG22 VAL B 22 2.602 2.854 8.464 1.00 0.00 H new ATOM 0 HG23 VAL B 22 3.204 1.553 7.409 1.00 0.00 H new ATOM 1527 N VAL B 23 2.519 -1.174 11.408 1.00 0.00 N ATOM 1528 CA VAL B 23 2.150 -1.848 12.641 1.00 0.00 C ATOM 1529 C VAL B 23 3.386 -1.986 13.532 1.00 0.00 C ATOM 1530 O VAL B 23 3.232 -1.964 14.762 1.00 0.00 O ATOM 1531 CB VAL B 23 1.488 -3.191 12.325 1.00 0.00 C ATOM 1532 CG1 VAL B 23 0.789 -3.761 13.561 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.511 -3.059 11.155 1.00 0.00 C ATOM 0 H VAL B 23 2.434 -1.753 10.573 1.00 0.00 H new ATOM 0 HA VAL B 23 1.416 -1.260 13.192 1.00 0.00 H new ATOM 0 HB VAL B 23 2.271 -3.890 12.030 1.00 0.00 H new ATOM 0 HG11 VAL B 23 0.327 -4.716 13.310 1.00 0.00 H new ATOM 0 HG12 VAL B 23 1.520 -3.910 14.356 1.00 0.00 H new ATOM 0 HG13 VAL B 23 0.022 -3.064 13.899 1.00 0.00 H new ATOM 0 HG21 VAL B 23 0.054 -4.028 10.951 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.266 -2.338 11.409 1.00 0.00 H new ATOM 0 HG23 VAL B 23 1.047 -2.717 10.270 1.00 0.00 H new ATOM 1543 N ASP B 24 4.568 -2.123 12.905 1.00 0.00 N ATOM 1544 CA ASP B 24 5.817 -2.263 13.636 1.00 0.00 C ATOM 1545 C ASP B 24 6.031 -1.026 14.510 1.00 0.00 C ATOM 1546 O ASP B 24 6.977 -1.027 15.312 1.00 0.00 O ATOM 1547 CB ASP B 24 7.005 -2.379 12.679 1.00 0.00 C ATOM 1548 CG ASP B 24 8.376 -2.166 13.324 1.00 0.00 C ATOM 1549 OD1 ASP B 24 8.843 -1.027 13.469 1.00 0.00 O ATOM 1550 OD2 ASP B 24 8.980 -3.246 13.688 1.00 0.00 O ATOM 0 H ASP B 24 4.673 -2.138 11.891 1.00 0.00 H new ATOM 0 HA ASP B 24 5.754 -3.166 14.243 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.986 -3.367 12.218 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.880 -1.651 11.878 1.00 0.00 H new ATOM 1555 N GLN B 25 5.166 -0.010 14.341 1.00 0.00 N ATOM 1556 CA GLN B 25 5.260 1.219 15.109 1.00 0.00 C ATOM 1557 C GLN B 25 3.964 1.428 15.893 1.00 0.00 C ATOM 1558 O GLN B 25 3.638 2.585 16.197 1.00 0.00 O ATOM 1559 CB GLN B 25 5.558 2.421 14.210 1.00 0.00 C ATOM 1560 CG GLN B 25 6.962 2.969 14.474 1.00 0.00 C ATOM 1561 CD GLN B 25 7.590 3.509 13.187 1.00 0.00 C ATOM 1562 OE1 GLN B 25 7.234 4.563 12.686 1.00 0.00 O ATOM 1563 NE2 GLN B 25 8.541 2.730 12.682 1.00 0.00 N ATOM 0 H GLN B 25 4.395 -0.028 13.673 1.00 0.00 H new ATOM 0 HA GLN B 25 6.091 1.131 15.808 1.00 0.00 H new ATOM 0 HB2 GLN B 25 5.469 2.128 13.164 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.820 3.203 14.386 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.912 3.763 15.220 1.00 0.00 H new ATOM 0 HG3 GLN B 25 7.592 2.182 14.888 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.791 1.860 13.152 1.00 0.00 H new ATOM 0 HE22 GLN B 25 9.021 3.002 11.824 1.00 0.00 H new ATOM 1572 N GLU B 26 3.260 0.323 16.198 1.00 0.00 N ATOM 1573 CA GLU B 26 2.012 0.385 16.939 1.00 0.00 C ATOM 1574 C GLU B 26 1.244 1.645 16.532 1.00 0.00 C ATOM 1575 O GLU B 26 0.654 2.285 17.414 1.00 0.00 O ATOM 1576 CB GLU B 26 2.253 0.353 18.449 1.00 0.00 C ATOM 1577 CG GLU B 26 2.580 1.749 18.982 1.00 0.00 C ATOM 1578 CD GLU B 26 3.683 1.686 20.041 1.00 0.00 C ATOM 1579 OE1 GLU B 26 3.600 0.875 20.975 1.00 0.00 O ATOM 1580 OE2 GLU B 26 4.653 2.518 19.869 1.00 0.00 O ATOM 0 H GLU B 26 3.545 -0.621 15.937 1.00 0.00 H new ATOM 0 HA GLU B 26 1.416 -0.494 16.694 1.00 0.00 H new ATOM 0 HB2 GLU B 26 1.368 -0.035 18.954 1.00 0.00 H new ATOM 0 HB3 GLU B 26 3.073 -0.328 18.676 1.00 0.00 H new ATOM 0 HG2 GLU B 26 2.896 2.391 18.160 1.00 0.00 H new ATOM 0 HG3 GLU B 26 1.684 2.198 19.411 1.00 0.00 H new ATOM 1587 N LEU B 27 1.269 1.971 15.227 1.00 0.00 N ATOM 1588 CA LEU B 27 0.581 3.143 14.714 1.00 0.00 C ATOM 1589 C LEU B 27 -0.639 2.699 13.904 1.00 0.00 C ATOM 1590 O LEU B 27 -1.324 3.567 13.345 1.00 0.00 O ATOM 1591 CB LEU B 27 1.549 4.031 13.928 1.00 0.00 C ATOM 1592 CG LEU B 27 1.762 3.656 12.460 1.00 0.00 C ATOM 1593 CD1 LEU B 27 0.957 4.575 11.538 1.00 0.00 C ATOM 1594 CD2 LEU B 27 3.251 3.651 12.108 1.00 0.00 C ATOM 0 H LEU B 27 1.763 1.430 14.517 1.00 0.00 H new ATOM 0 HA LEU B 27 0.213 3.758 15.535 1.00 0.00 H new ATOM 0 HB2 LEU B 27 1.185 5.058 13.971 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.516 4.014 14.431 1.00 0.00 H new ATOM 0 HG LEU B 27 1.391 2.642 12.307 1.00 0.00 H new ATOM 0 HD11 LEU B 27 1.126 4.288 10.500 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -0.104 4.486 11.771 1.00 0.00 H new ATOM 0 HD13 LEU B 27 1.275 5.607 11.685 1.00 0.00 H new ATOM 0 HD21 LEU B 27 3.376 3.381 11.059 1.00 0.00 H new ATOM 0 HD22 LEU B 27 3.669 4.643 12.280 1.00 0.00 H new ATOM 0 HD23 LEU B 27 3.770 2.925 12.734 1.00 0.00 H new ATOM 1606 N GLY B 28 -0.883 1.377 13.859 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.009 0.825 13.125 1.00 0.00 C ATOM 1608 C GLY B 28 -3.281 0.977 13.962 1.00 0.00 C ATOM 1609 O GLY B 28 -3.436 2.019 14.616 1.00 0.00 O ATOM 0 H GLY B 28 -0.306 0.678 14.328 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.124 1.340 12.171 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -1.831 -0.227 12.900 1.00 0.00 H new ATOM 1613 N ASP B 29 -4.151 -0.048 13.927 1.00 0.00 N ATOM 1614 CA ASP B 29 -5.394 -0.028 14.678 1.00 0.00 C ATOM 1615 C ASP B 29 -5.725 -1.447 15.148 1.00 0.00 C ATOM 1616 O ASP B 29 -5.849 -1.651 16.364 1.00 0.00 O ATOM 1617 CB ASP B 29 -6.554 0.464 13.809 1.00 0.00 C ATOM 1618 CG ASP B 29 -6.243 0.570 12.315 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -5.422 -0.189 11.778 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -6.892 1.491 11.687 1.00 0.00 O ATOM 0 H ASP B 29 -4.005 -0.897 13.382 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.265 0.646 15.525 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -7.399 -0.211 13.942 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -6.868 1.443 14.170 1.00 0.00 H new ATOM 1625 N ALA B 30 -5.857 -2.383 14.190 1.00 0.00 N ATOM 1626 CA ALA B 30 -6.169 -3.766 14.505 1.00 0.00 C ATOM 1627 C ALA B 30 -6.449 -4.528 13.208 1.00 0.00 C ATOM 1628 O ALA B 30 -6.020 -5.686 13.100 1.00 0.00 O ATOM 1629 CB ALA B 30 -7.458 -3.830 15.326 1.00 0.00 C ATOM 0 H ALA B 30 -5.750 -2.194 13.193 1.00 0.00 H new ATOM 0 HA ALA B 30 -5.329 -4.193 15.052 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -7.689 -4.869 15.560 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -7.328 -3.269 16.252 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -8.277 -3.397 14.752 1.00 0.00 H new ATOM 1635 N PRO B 31 -7.152 -3.875 12.265 1.00 0.00 N ATOM 1636 CA PRO B 31 -7.502 -4.455 10.980 1.00 0.00 C ATOM 1637 C PRO B 31 -6.288 -4.501 10.050 1.00 0.00 C ATOM 1638 O PRO B 31 -6.268 -5.350 9.146 1.00 0.00 O ATOM 1639 CB PRO B 31 -8.625 -3.579 10.447 1.00 0.00 C ATOM 1640 CG PRO B 31 -8.548 -2.279 11.229 1.00 0.00 C ATOM 1641 CD PRO B 31 -7.643 -2.509 12.428 1.00 0.00 C ATOM 0 HA PRO B 31 -7.827 -5.492 11.061 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -8.506 -3.399 9.378 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -9.594 -4.060 10.584 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -8.155 -1.479 10.602 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -9.541 -1.970 11.554 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -6.822 -1.793 12.447 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -8.189 -2.393 13.364 1.00 0.00 H new ATOM 1649 N PHE B 32 -5.315 -3.603 10.285 1.00 0.00 N ATOM 1650 CA PHE B 32 -4.110 -3.542 9.475 1.00 0.00 C ATOM 1651 C PHE B 32 -3.216 -4.739 9.808 1.00 0.00 C ATOM 1652 O PHE B 32 -2.640 -5.321 8.877 1.00 0.00 O ATOM 1653 CB PHE B 32 -3.376 -2.216 9.755 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.301 -1.269 8.564 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -4.335 -1.249 7.600 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.191 -0.406 8.416 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -4.259 -0.373 6.497 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -2.117 0.470 7.312 1.00 0.00 C ATOM 1659 CZ PHE B 32 -3.151 0.487 6.352 1.00 0.00 C ATOM 0 H PHE B 32 -5.351 -2.912 11.035 1.00 0.00 H new ATOM 0 HA PHE B 32 -4.366 -3.582 8.416 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.877 -1.705 10.578 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.363 -2.440 10.089 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -5.185 -1.906 7.708 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -1.398 -0.417 9.149 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -5.051 -0.361 5.762 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.268 1.128 7.202 1.00 0.00 H new ATOM 0 HZ PHE B 32 -3.094 1.158 5.507 1.00 0.00 H new ATOM 1669 N LEU B 33 -3.120 -5.075 11.107 1.00 0.00 N ATOM 1670 CA LEU B 33 -2.305 -6.191 11.554 1.00 0.00 C ATOM 1671 C LEU B 33 -2.966 -7.503 11.129 1.00 0.00 C ATOM 1672 O LEU B 33 -2.248 -8.402 10.666 1.00 0.00 O ATOM 1673 CB LEU B 33 -2.042 -6.094 13.058 1.00 0.00 C ATOM 1674 CG LEU B 33 -1.087 -7.137 13.642 1.00 0.00 C ATOM 1675 CD1 LEU B 33 0.064 -7.427 12.677 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -0.583 -6.708 15.022 1.00 0.00 C ATOM 0 H LEU B 33 -3.602 -4.581 11.858 1.00 0.00 H new ATOM 0 HA LEU B 33 -1.324 -6.160 11.079 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -1.642 -5.103 13.273 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -2.996 -6.172 13.579 1.00 0.00 H new ATOM 0 HG LEU B 33 -1.638 -8.068 13.776 1.00 0.00 H new ATOM 0 HD11 LEU B 33 0.728 -8.171 13.116 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -0.336 -7.807 11.737 1.00 0.00 H new ATOM 0 HD13 LEU B 33 0.621 -6.509 12.489 1.00 0.00 H new ATOM 0 HD21 LEU B 33 0.094 -7.467 15.414 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -0.054 -5.759 14.937 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -1.430 -6.592 15.699 1.00 0.00 H new ATOM 1688 N ASP B 34 -4.298 -7.588 11.292 1.00 0.00 N ATOM 1689 CA ASP B 34 -5.045 -8.779 10.929 1.00 0.00 C ATOM 1690 C ASP B 34 -4.883 -9.039 9.430 1.00 0.00 C ATOM 1691 O ASP B 34 -4.637 -10.195 9.054 1.00 0.00 O ATOM 1692 CB ASP B 34 -6.537 -8.604 11.219 1.00 0.00 C ATOM 1693 CG ASP B 34 -7.416 -9.792 10.825 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -6.779 -10.810 10.354 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -8.648 -9.749 10.962 1.00 0.00 O ATOM 0 H ASP B 34 -4.871 -6.836 11.675 1.00 0.00 H new ATOM 0 HA ASP B 34 -4.659 -9.611 11.517 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -6.665 -8.415 12.285 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -6.893 -7.718 10.693 1.00 0.00 H new ATOM 1700 N ARG B 35 -5.020 -7.977 8.615 1.00 0.00 N ATOM 1701 CA ARG B 35 -4.889 -8.091 7.173 1.00 0.00 C ATOM 1702 C ARG B 35 -3.417 -8.297 6.813 1.00 0.00 C ATOM 1703 O ARG B 35 -3.145 -8.901 5.764 1.00 0.00 O ATOM 1704 CB ARG B 35 -5.411 -6.842 6.460 1.00 0.00 C ATOM 1705 CG ARG B 35 -4.258 -6.015 5.889 1.00 0.00 C ATOM 1706 CD ARG B 35 -4.748 -4.646 5.412 1.00 0.00 C ATOM 1707 NE ARG B 35 -6.221 -4.567 5.531 1.00 0.00 N ATOM 1708 CZ ARG B 35 -7.055 -4.365 4.489 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -6.539 -4.228 3.260 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -8.380 -4.306 4.680 1.00 0.00 N ATOM 0 H ARG B 35 -5.222 -7.033 8.944 1.00 0.00 H new ATOM 0 HA ARG B 35 -5.485 -8.943 6.846 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -6.087 -7.134 5.656 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -5.988 -6.235 7.158 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -3.488 -5.885 6.649 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -3.798 -6.550 5.058 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -4.284 -3.858 6.005 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -4.449 -4.484 4.376 1.00 0.00 H new ATOM 0 HE ARG B 35 -6.632 -4.672 6.459 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -5.530 -4.277 3.122 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -7.156 -4.075 2.462 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.765 -4.414 5.618 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.003 -4.153 3.887 1.00 0.00 H new ATOM 1724 N LEU B 36 -2.511 -7.802 7.675 1.00 0.00 N ATOM 1725 CA LEU B 36 -1.081 -7.932 7.449 1.00 0.00 C ATOM 1726 C LEU B 36 -0.691 -9.409 7.516 1.00 0.00 C ATOM 1727 O LEU B 36 -0.129 -9.916 6.535 1.00 0.00 O ATOM 1728 CB LEU B 36 -0.303 -7.044 8.423 1.00 0.00 C ATOM 1729 CG LEU B 36 1.210 -7.271 8.473 1.00 0.00 C ATOM 1730 CD1 LEU B 36 1.944 -6.270 7.580 1.00 0.00 C ATOM 1731 CD2 LEU B 36 1.722 -7.236 9.914 1.00 0.00 C ATOM 0 H LEU B 36 -2.756 -7.309 8.534 1.00 0.00 H new ATOM 0 HA LEU B 36 -0.818 -7.578 6.452 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.486 -6.002 8.160 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.707 -7.195 9.424 1.00 0.00 H new ATOM 0 HG LEU B 36 1.419 -8.266 8.081 1.00 0.00 H new ATOM 0 HD11 LEU B 36 3.017 -6.453 7.634 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.607 -6.386 6.550 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.732 -5.256 7.919 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.800 -7.400 9.921 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.500 -6.265 10.356 1.00 0.00 H new ATOM 0 HD23 LEU B 36 1.232 -8.019 10.493 1.00 0.00 H new ATOM 1743 N ARG B 37 -0.991 -10.060 8.654 1.00 0.00 N ATOM 1744 CA ARG B 37 -0.674 -11.465 8.845 1.00 0.00 C ATOM 1745 C ARG B 37 -1.434 -12.299 7.812 1.00 0.00 C ATOM 1746 O ARG B 37 -0.826 -13.207 7.224 1.00 0.00 O ATOM 1747 CB ARG B 37 -1.046 -11.941 10.249 1.00 0.00 C ATOM 1748 CG ARG B 37 -2.506 -12.399 10.304 1.00 0.00 C ATOM 1749 CD ARG B 37 -2.903 -12.797 11.727 1.00 0.00 C ATOM 1750 NE ARG B 37 -3.716 -14.033 11.699 1.00 0.00 N ATOM 1751 CZ ARG B 37 -3.412 -15.154 12.386 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -2.309 -15.171 13.148 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -4.201 -16.235 12.309 1.00 0.00 N ATOM 0 H ARG B 37 -1.454 -9.624 9.451 1.00 0.00 H new ATOM 0 HA ARG B 37 0.402 -11.589 8.719 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -0.392 -12.762 10.544 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -0.887 -11.134 10.964 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -3.156 -11.598 9.952 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -2.651 -13.245 9.632 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -2.010 -12.953 12.332 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -3.468 -11.991 12.195 1.00 0.00 H new ATOM 0 HE ARG B 37 -4.559 -14.038 11.125 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -1.714 -14.344 13.202 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -2.065 -16.010 13.674 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -5.039 -16.214 11.728 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -3.963 -17.078 12.832 1.00 0.00 H new ATOM 1767 N ARG B 38 -2.725 -11.982 7.615 1.00 0.00 N ATOM 1768 CA ARG B 38 -3.557 -12.698 6.662 1.00 0.00 C ATOM 1769 C ARG B 38 -2.967 -12.543 5.259 1.00 0.00 C ATOM 1770 O ARG B 38 -2.995 -13.520 4.496 1.00 0.00 O ATOM 1771 CB ARG B 38 -4.995 -12.174 6.663 1.00 0.00 C ATOM 1772 CG ARG B 38 -5.859 -12.941 5.660 1.00 0.00 C ATOM 1773 CD ARG B 38 -7.333 -12.555 5.799 1.00 0.00 C ATOM 1774 NE ARG B 38 -8.151 -13.328 4.837 1.00 0.00 N ATOM 1775 CZ ARG B 38 -9.501 -13.360 4.845 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -10.161 -12.656 5.775 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -10.169 -14.085 3.939 1.00 0.00 N ATOM 0 H ARG B 38 -3.206 -11.231 8.110 1.00 0.00 H new ATOM 0 HA ARG B 38 -3.578 -13.748 6.954 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.420 -12.270 7.662 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -4.999 -11.113 6.415 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -5.518 -12.731 4.646 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -5.743 -14.013 5.820 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -7.674 -12.748 6.816 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -7.457 -11.487 5.619 1.00 0.00 H new ATOM 0 HE ARG B 38 -7.664 -13.870 4.123 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -9.644 -12.108 6.462 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -11.181 -12.669 5.796 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -9.658 -14.619 3.236 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -11.189 -14.104 3.952 1.00 0.00 H new ATOM 1791 N ASP B 39 -2.454 -11.338 4.951 1.00 0.00 N ATOM 1792 CA ASP B 39 -1.864 -11.061 3.652 1.00 0.00 C ATOM 1793 C ASP B 39 -0.567 -11.860 3.506 1.00 0.00 C ATOM 1794 O ASP B 39 -0.263 -12.291 2.384 1.00 0.00 O ATOM 1795 CB ASP B 39 -1.523 -9.576 3.508 1.00 0.00 C ATOM 1796 CG ASP B 39 -0.897 -9.185 2.168 1.00 0.00 C ATOM 1797 OD1 ASP B 39 0.155 -9.856 1.841 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -1.389 -8.283 1.471 1.00 0.00 O ATOM 0 H ASP B 39 -2.442 -10.546 5.594 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.587 -11.341 2.886 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -2.433 -8.994 3.651 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -0.837 -9.297 4.308 1.00 0.00 H new ATOM 1803 N GLN B 40 0.160 -12.038 4.623 1.00 0.00 N ATOM 1804 CA GLN B 40 1.412 -12.777 4.618 1.00 0.00 C ATOM 1805 C GLN B 40 1.151 -14.209 4.143 1.00 0.00 C ATOM 1806 O GLN B 40 1.740 -14.610 3.128 1.00 0.00 O ATOM 1807 CB GLN B 40 2.074 -12.770 5.997 1.00 0.00 C ATOM 1808 CG GLN B 40 3.350 -13.614 5.997 1.00 0.00 C ATOM 1809 CD GLN B 40 4.578 -12.753 5.699 1.00 0.00 C ATOM 1810 OE1 GLN B 40 4.544 -12.156 4.510 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 5.495 -12.637 6.495 1.00 0.00 N flip ATOM 0 H GLN B 40 -0.108 -11.675 5.538 1.00 0.00 H new ATOM 0 HA GLN B 40 2.104 -12.289 3.931 1.00 0.00 H new ATOM 0 HB2 GLN B 40 2.311 -11.746 6.285 1.00 0.00 H new ATOM 0 HB3 GLN B 40 1.378 -13.157 6.741 1.00 0.00 H new ATOM 0 HG2 GLN B 40 3.469 -14.100 6.966 1.00 0.00 H new ATOM 0 HG3 GLN B 40 3.267 -14.405 5.252 1.00 0.00 H new ATOM 0 HE21 GLN B 40 5.457 -13.123 7.391 1.00 0.00 H new ATOM 0 HE22 GLN B 40 6.299 -12.054 6.265 1.00 0.00 H new ATOM 1820 N LYS B 41 0.287 -14.937 4.872 1.00 0.00 N ATOM 1821 CA LYS B 41 -0.045 -16.309 4.528 1.00 0.00 C ATOM 1822 C LYS B 41 -0.457 -16.375 3.055 1.00 0.00 C ATOM 1823 O LYS B 41 -0.036 -17.316 2.366 1.00 0.00 O ATOM 1824 CB LYS B 41 -1.102 -16.862 5.487 1.00 0.00 C ATOM 1825 CG LYS B 41 -0.510 -17.949 6.386 1.00 0.00 C ATOM 1826 CD LYS B 41 -0.865 -19.344 5.865 1.00 0.00 C ATOM 1827 CE LYS B 41 -0.044 -19.690 4.622 1.00 0.00 C ATOM 1828 NZ LYS B 41 0.365 -21.104 4.651 1.00 0.00 N ATOM 0 H LYS B 41 -0.189 -14.587 5.703 1.00 0.00 H new ATOM 0 HA LYS B 41 0.827 -16.953 4.646 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -1.500 -16.054 6.101 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -1.937 -17.270 4.918 1.00 0.00 H new ATOM 0 HG2 LYS B 41 0.573 -17.838 6.431 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -0.885 -17.830 7.402 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -0.682 -20.084 6.644 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -1.928 -19.388 5.627 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -0.631 -19.494 3.725 1.00 0.00 H new ATOM 0 HE3 LYS B 41 0.838 -19.051 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 0.921 -21.322 3.800 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 0.943 -21.281 5.497 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -0.480 -21.709 4.676 1.00 0.00 H new ATOM 1842 N SER B 42 -1.259 -15.391 2.609 1.00 0.00 N ATOM 1843 CA SER B 42 -1.720 -15.338 1.232 1.00 0.00 C ATOM 1844 C SER B 42 -0.523 -15.123 0.305 1.00 0.00 C ATOM 1845 O SER B 42 -0.497 -15.731 -0.775 1.00 0.00 O ATOM 1846 CB SER B 42 -2.754 -14.229 1.031 1.00 0.00 C ATOM 1847 OG SER B 42 -3.559 -14.453 -0.123 1.00 0.00 O ATOM 0 H SER B 42 -1.595 -14.625 3.193 1.00 0.00 H new ATOM 0 HA SER B 42 -2.204 -16.285 0.992 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.393 -14.165 1.912 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.244 -13.270 0.937 1.00 0.00 H new ATOM 0 HG SER B 42 -4.208 -13.724 -0.216 1.00 0.00 H new ATOM 1853 N LEU B 43 0.430 -14.277 0.738 1.00 0.00 N ATOM 1854 CA LEU B 43 1.617 -13.987 -0.048 1.00 0.00 C ATOM 1855 C LEU B 43 2.479 -15.247 -0.146 1.00 0.00 C ATOM 1856 O LEU B 43 2.609 -15.789 -1.253 1.00 0.00 O ATOM 1857 CB LEU B 43 2.358 -12.778 0.527 1.00 0.00 C ATOM 1858 CG LEU B 43 2.848 -11.746 -0.491 1.00 0.00 C ATOM 1859 CD1 LEU B 43 3.545 -10.577 0.207 1.00 0.00 C ATOM 1860 CD2 LEU B 43 3.741 -12.399 -1.547 1.00 0.00 C ATOM 0 H LEU B 43 0.390 -13.787 1.632 1.00 0.00 H new ATOM 0 HA LEU B 43 1.342 -13.709 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.699 -12.276 1.235 1.00 0.00 H new ATOM 0 HB3 LEU B 43 3.218 -13.139 1.092 1.00 0.00 H new ATOM 0 HG LEU B 43 1.981 -11.339 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.884 -9.858 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.847 -10.091 0.889 1.00 0.00 H new ATOM 0 HD13 LEU B 43 4.402 -10.948 0.769 1.00 0.00 H new ATOM 0 HD21 LEU B 43 4.076 -11.644 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU B 43 4.607 -12.850 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU B 43 3.178 -13.169 -2.074 1.00 0.00 H new ATOM 1872 N ARG B 44 3.043 -15.681 0.996 1.00 0.00 N ATOM 1873 CA ARG B 44 3.883 -16.866 1.039 1.00 0.00 C ATOM 1874 C ARG B 44 3.277 -17.949 0.144 1.00 0.00 C ATOM 1875 O ARG B 44 4.041 -18.636 -0.549 1.00 0.00 O ATOM 1876 CB ARG B 44 4.021 -17.409 2.463 1.00 0.00 C ATOM 1877 CG ARG B 44 5.308 -18.220 2.617 1.00 0.00 C ATOM 1878 CD ARG B 44 5.827 -18.157 4.055 1.00 0.00 C ATOM 1879 NE ARG B 44 7.147 -17.489 4.088 1.00 0.00 N ATOM 1880 CZ ARG B 44 8.240 -18.002 4.692 1.00 0.00 C ATOM 1881 NH1 ARG B 44 8.145 -19.190 5.307 1.00 0.00 N ATOM 1882 NH2 ARG B 44 9.402 -17.335 4.677 1.00 0.00 N ATOM 0 H ARG B 44 2.925 -15.219 1.898 1.00 0.00 H new ATOM 0 HA ARG B 44 4.876 -16.588 0.684 1.00 0.00 H new ATOM 0 HB2 ARG B 44 4.021 -16.582 3.173 1.00 0.00 H new ATOM 0 HB3 ARG B 44 3.161 -18.035 2.702 1.00 0.00 H new ATOM 0 HG2 ARG B 44 5.124 -19.258 2.338 1.00 0.00 H new ATOM 0 HG3 ARG B 44 6.067 -17.837 1.935 1.00 0.00 H new ATOM 0 HD2 ARG B 44 5.120 -17.614 4.682 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.909 -19.164 4.465 1.00 0.00 H new ATOM 0 HE ARG B 44 7.237 -16.584 3.625 1.00 0.00 H new ATOM 0 HH11 ARG B 44 7.257 -19.691 5.313 1.00 0.00 H new ATOM 0 HH12 ARG B 44 8.961 -19.592 5.768 1.00 0.00 H new ATOM 0 HH21 ARG B 44 9.466 -16.432 4.207 1.00 0.00 H new ATOM 0 HH22 ARG B 44 10.223 -17.730 5.136 1.00 0.00 H new ATOM 1896 N GLY B 45 1.938 -18.076 0.175 1.00 0.00 N ATOM 1897 CA GLY B 45 1.240 -19.066 -0.628 1.00 0.00 C ATOM 1898 C GLY B 45 1.475 -18.772 -2.111 1.00 0.00 C ATOM 1899 O GLY B 45 2.112 -19.597 -2.782 1.00 0.00 O ATOM 0 H GLY B 45 1.327 -17.499 0.753 1.00 0.00 H new ATOM 0 HA2 GLY B 45 1.596 -20.067 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY B 45 0.173 -19.044 -0.406 1.00 0.00 H new ATOM 1903 N ARG B 46 0.967 -17.620 -2.585 1.00 0.00 N ATOM 1904 CA ARG B 46 1.121 -17.224 -3.974 1.00 0.00 C ATOM 1905 C ARG B 46 2.602 -17.285 -4.355 1.00 0.00 C ATOM 1906 O ARG B 46 2.958 -18.112 -5.208 1.00 0.00 O ATOM 1907 CB ARG B 46 0.596 -15.808 -4.218 1.00 0.00 C ATOM 1908 CG ARG B 46 -0.910 -15.819 -4.484 1.00 0.00 C ATOM 1909 CD ARG B 46 -1.428 -14.408 -4.768 1.00 0.00 C ATOM 1910 NE ARG B 46 -1.142 -13.522 -3.617 1.00 0.00 N ATOM 1911 CZ ARG B 46 -2.070 -12.760 -3.000 1.00 0.00 C ATOM 1912 NH1 ARG B 46 -3.334 -12.793 -3.440 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -1.731 -11.984 -1.961 1.00 0.00 N ATOM 0 H ARG B 46 0.447 -16.953 -2.015 1.00 0.00 H new ATOM 0 HA ARG B 46 0.540 -17.912 -4.588 1.00 0.00 H new ATOM 0 HB2 ARG B 46 0.811 -15.182 -3.352 1.00 0.00 H new ATOM 0 HB3 ARG B 46 1.116 -15.365 -5.068 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -1.128 -16.468 -5.332 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -1.432 -16.235 -3.622 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -0.956 -14.013 -5.668 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -2.501 -14.437 -4.957 1.00 0.00 H new ATOM 0 HE ARG B 46 -0.184 -13.485 -3.268 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -3.584 -13.388 -4.230 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -4.047 -12.223 -2.985 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -0.766 -11.966 -1.631 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -2.438 -11.411 -1.500 1.00 0.00 H new ATOM 1927 N GLY B 47 3.422 -16.423 -3.729 1.00 0.00 N ATOM 1928 CA GLY B 47 4.848 -16.379 -4.001 1.00 0.00 C ATOM 1929 C GLY B 47 5.381 -17.808 -4.132 1.00 0.00 C ATOM 1930 O GLY B 47 5.927 -18.138 -5.195 1.00 0.00 O ATOM 0 H GLY B 47 3.109 -15.749 -3.030 1.00 0.00 H new ATOM 0 HA2 GLY B 47 5.038 -15.822 -4.918 1.00 0.00 H new ATOM 0 HA3 GLY B 47 5.367 -15.857 -3.198 1.00 0.00 H new ATOM 1934 N SER B 48 5.216 -18.612 -3.067 1.00 0.00 N ATOM 1935 CA SER B 48 5.677 -19.990 -3.064 1.00 0.00 C ATOM 1936 C SER B 48 5.366 -20.631 -4.418 1.00 0.00 C ATOM 1937 O SER B 48 6.306 -21.093 -5.082 1.00 0.00 O ATOM 1938 CB SER B 48 5.029 -20.795 -1.935 1.00 0.00 C ATOM 1939 OG SER B 48 5.680 -20.579 -0.685 1.00 0.00 O ATOM 0 H SER B 48 4.764 -18.320 -2.200 1.00 0.00 H new ATOM 0 HA SER B 48 6.754 -19.994 -2.894 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.978 -20.519 -1.849 1.00 0.00 H new ATOM 0 HB3 SER B 48 5.060 -21.856 -2.182 1.00 0.00 H new ATOM 0 HG SER B 48 5.225 -19.860 -0.199 1.00 0.00 H new ATOM 1945 N THR B 49 4.075 -20.646 -4.795 1.00 0.00 N ATOM 1946 CA THR B 49 3.647 -21.225 -6.058 1.00 0.00 C ATOM 1947 C THR B 49 4.646 -20.842 -7.152 1.00 0.00 C ATOM 1948 O THR B 49 5.120 -21.743 -7.858 1.00 0.00 O ATOM 1949 CB THR B 49 2.219 -20.761 -6.349 1.00 0.00 C ATOM 1950 OG1 THR B 49 1.502 -21.075 -5.157 1.00 0.00 O ATOM 1951 CG2 THR B 49 1.538 -21.607 -7.427 1.00 0.00 C ATOM 0 H THR B 49 3.316 -20.260 -4.233 1.00 0.00 H new ATOM 0 HA THR B 49 3.631 -22.314 -6.016 1.00 0.00 H new ATOM 0 HB THR B 49 2.233 -19.717 -6.661 1.00 0.00 H new ATOM 0 HG1 THR B 49 1.487 -20.292 -4.568 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.527 -21.236 -7.596 1.00 0.00 H new ATOM 0 HG22 THR B 49 2.108 -21.542 -8.354 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.494 -22.646 -7.100 1.00 0.00 H new ATOM 1959 N LEU B 50 4.939 -19.534 -7.270 1.00 0.00 N ATOM 1960 CA LEU B 50 5.872 -19.041 -8.268 1.00 0.00 C ATOM 1961 C LEU B 50 7.281 -19.531 -7.931 1.00 0.00 C ATOM 1962 O LEU B 50 7.943 -20.081 -8.822 1.00 0.00 O ATOM 1963 CB LEU B 50 5.763 -17.520 -8.398 1.00 0.00 C ATOM 1964 CG LEU B 50 5.379 -16.990 -9.780 1.00 0.00 C ATOM 1965 CD1 LEU B 50 4.553 -15.706 -9.665 1.00 0.00 C ATOM 1966 CD2 LEU B 50 6.618 -16.797 -10.657 1.00 0.00 C ATOM 0 H LEU B 50 4.535 -18.807 -6.679 1.00 0.00 H new ATOM 0 HA LEU B 50 5.624 -19.440 -9.251 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.026 -17.166 -7.677 1.00 0.00 H new ATOM 0 HB3 LEU B 50 6.720 -17.082 -8.116 1.00 0.00 H new ATOM 0 HG LEU B 50 4.751 -17.735 -10.269 1.00 0.00 H new ATOM 0 HD11 LEU B 50 4.293 -15.350 -10.662 1.00 0.00 H new ATOM 0 HD12 LEU B 50 3.641 -15.909 -9.103 1.00 0.00 H new ATOM 0 HD13 LEU B 50 5.136 -14.944 -9.148 1.00 0.00 H new ATOM 0 HD21 LEU B 50 6.317 -16.419 -11.634 1.00 0.00 H new ATOM 0 HD22 LEU B 50 7.291 -16.082 -10.184 1.00 0.00 H new ATOM 0 HD23 LEU B 50 7.130 -17.752 -10.779 1.00 0.00 H new ATOM 1978 N GLY B 51 7.704 -19.324 -6.671 1.00 0.00 N ATOM 1979 CA GLY B 51 9.022 -19.741 -6.223 1.00 0.00 C ATOM 1980 C GLY B 51 9.989 -18.561 -6.326 1.00 0.00 C ATOM 1981 O GLY B 51 11.199 -18.799 -6.456 1.00 0.00 O ATOM 0 H GLY B 51 7.142 -18.868 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY B 51 8.973 -20.097 -5.194 1.00 0.00 H new ATOM 0 HA3 GLY B 51 9.379 -20.572 -6.831 1.00 0.00 H new ATOM 1985 N LEU B 52 9.447 -17.331 -6.267 1.00 0.00 N ATOM 1986 CA LEU B 52 10.257 -16.128 -6.353 1.00 0.00 C ATOM 1987 C LEU B 52 10.787 -15.776 -4.963 1.00 0.00 C ATOM 1988 O LEU B 52 10.641 -16.600 -4.048 1.00 0.00 O ATOM 1989 CB LEU B 52 9.466 -14.997 -7.014 1.00 0.00 C ATOM 1990 CG LEU B 52 7.985 -14.905 -6.641 1.00 0.00 C ATOM 1991 CD1 LEU B 52 7.814 -14.507 -5.173 1.00 0.00 C ATOM 1992 CD2 LEU B 52 7.239 -13.959 -7.582 1.00 0.00 C ATOM 0 H LEU B 52 8.448 -17.156 -6.160 1.00 0.00 H new ATOM 0 HA LEU B 52 11.124 -16.296 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU B 52 9.943 -14.050 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU B 52 9.541 -15.112 -8.095 1.00 0.00 H new ATOM 0 HG LEU B 52 7.541 -15.893 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU B 52 6.752 -14.449 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU B 52 8.289 -15.253 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU B 52 8.278 -13.536 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU B 52 6.189 -13.913 -7.294 1.00 0.00 H new ATOM 0 HD22 LEU B 52 7.677 -12.963 -7.519 1.00 0.00 H new ATOM 0 HD23 LEU B 52 7.319 -14.326 -8.605 1.00 0.00 H new ATOM 2004 N ASN B 53 11.385 -14.577 -4.832 1.00 0.00 N ATOM 2005 CA ASN B 53 11.931 -14.123 -3.564 1.00 0.00 C ATOM 2006 C ASN B 53 11.140 -12.907 -3.078 1.00 0.00 C ATOM 2007 O ASN B 53 11.446 -11.790 -3.516 1.00 0.00 O ATOM 2008 CB ASN B 53 13.395 -13.704 -3.714 1.00 0.00 C ATOM 2009 CG ASN B 53 14.148 -13.858 -2.391 1.00 0.00 C ATOM 2010 OD1 ASN B 53 13.377 -13.737 -1.314 1.00 0.00 O flip ATOM 2011 ND2 ASN B 53 15.348 -14.073 -2.351 1.00 0.00 N flip ATOM 0 H ASN B 53 11.497 -13.913 -5.598 1.00 0.00 H new ATOM 0 HA ASN B 53 11.861 -14.946 -2.853 1.00 0.00 H new ATOM 0 HB2 ASN B 53 13.874 -14.311 -4.482 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.448 -12.668 -4.048 1.00 0.00 H new ATOM 0 HD21 ASN B 53 15.881 -14.155 -3.217 1.00 0.00 H new ATOM 0 HD22 ASN B 53 15.819 -14.171 -1.452 1.00 0.00 H new ATOM 2018 N ILE B 54 10.152 -13.146 -2.196 1.00 0.00 N ATOM 2019 CA ILE B 54 9.326 -12.079 -1.658 1.00 0.00 C ATOM 2020 C ILE B 54 10.220 -10.905 -1.250 1.00 0.00 C ATOM 2021 O ILE B 54 9.771 -9.755 -1.364 1.00 0.00 O ATOM 2022 CB ILE B 54 8.444 -12.604 -0.524 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.038 -12.933 -1.031 1.00 0.00 C ATOM 2024 CG2 ILE B 54 8.416 -11.622 0.649 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.095 -13.893 -2.220 1.00 0.00 C ATOM 0 H ILE B 54 9.915 -14.075 -1.848 1.00 0.00 H new ATOM 0 HA ILE B 54 8.639 -11.708 -2.419 1.00 0.00 H new ATOM 0 HB ILE B 54 8.879 -13.533 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE B 54 6.453 -13.379 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE B 54 6.529 -12.015 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE B 54 7.782 -12.020 1.441 1.00 0.00 H new ATOM 0 HG22 ILE B 54 9.428 -11.481 1.030 1.00 0.00 H new ATOM 0 HG23 ILE B 54 8.019 -10.664 0.312 1.00 0.00 H new ATOM 0 HD11 ILE B 54 6.083 -14.110 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE B 54 7.660 -13.434 -3.031 1.00 0.00 H new ATOM 0 HD13 ILE B 54 7.583 -14.819 -1.917 1.00 0.00 H new ATOM 2037 N GLU B 55 11.444 -11.213 -0.789 1.00 0.00 N ATOM 2038 CA GLU B 55 12.389 -10.192 -0.369 1.00 0.00 C ATOM 2039 C GLU B 55 12.732 -9.298 -1.563 1.00 0.00 C ATOM 2040 O GLU B 55 12.361 -8.115 -1.539 1.00 0.00 O ATOM 2041 CB GLU B 55 13.652 -10.808 0.236 1.00 0.00 C ATOM 2042 CG GLU B 55 14.450 -9.764 1.019 1.00 0.00 C ATOM 2043 CD GLU B 55 13.811 -9.494 2.383 1.00 0.00 C ATOM 2044 OE1 GLU B 55 13.454 -10.548 3.036 1.00 0.00 O ATOM 2045 OE2 GLU B 55 13.668 -8.329 2.781 1.00 0.00 O ATOM 0 H GLU B 55 11.793 -12.167 -0.702 1.00 0.00 H new ATOM 0 HA GLU B 55 11.926 -9.588 0.412 1.00 0.00 H new ATOM 0 HB2 GLU B 55 13.379 -11.632 0.895 1.00 0.00 H new ATOM 0 HB3 GLU B 55 14.273 -11.226 -0.557 1.00 0.00 H new ATOM 0 HG2 GLU B 55 15.474 -10.111 1.156 1.00 0.00 H new ATOM 0 HG3 GLU B 55 14.501 -8.837 0.448 1.00 0.00 H new ATOM 2052 N ALA B 56 13.421 -9.872 -2.565 1.00 0.00 N ATOM 2053 CA ALA B 56 13.808 -9.132 -3.755 1.00 0.00 C ATOM 2054 C ALA B 56 12.586 -8.404 -4.317 1.00 0.00 C ATOM 2055 O ALA B 56 12.711 -7.217 -4.656 1.00 0.00 O ATOM 2056 CB ALA B 56 14.264 -10.108 -4.842 1.00 0.00 C ATOM 0 H ALA B 56 13.717 -10.848 -2.564 1.00 0.00 H new ATOM 0 HA ALA B 56 14.603 -8.437 -3.486 1.00 0.00 H new ATOM 0 HB1 ALA B 56 14.554 -9.551 -5.733 1.00 0.00 H new ATOM 0 HB2 ALA B 56 15.117 -10.683 -4.480 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.447 -10.786 -5.088 1.00 0.00 H new ATOM 2062 N ALA B 57 11.448 -9.115 -4.406 1.00 0.00 N ATOM 2063 CA ALA B 57 10.218 -8.540 -4.922 1.00 0.00 C ATOM 2064 C ALA B 57 9.973 -7.186 -4.253 1.00 0.00 C ATOM 2065 O ALA B 57 10.039 -6.162 -4.949 1.00 0.00 O ATOM 2066 CB ALA B 57 9.034 -9.429 -4.540 1.00 0.00 C ATOM 0 H ALA B 57 11.367 -10.092 -4.123 1.00 0.00 H new ATOM 0 HA ALA B 57 10.309 -8.444 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.113 -8.995 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.174 -10.423 -4.964 1.00 0.00 H new ATOM 0 HB3 ALA B 57 8.970 -9.503 -3.454 1.00 0.00 H new ATOM 2072 N THR B 58 9.698 -7.207 -2.936 1.00 0.00 N ATOM 2073 CA THR B 58 9.446 -5.990 -2.183 1.00 0.00 C ATOM 2074 C THR B 58 10.585 -4.998 -2.429 1.00 0.00 C ATOM 2075 O THR B 58 10.345 -3.786 -2.318 1.00 0.00 O ATOM 2076 CB THR B 58 9.267 -6.356 -0.708 1.00 0.00 C ATOM 2077 OG1 THR B 58 8.905 -5.126 -0.086 1.00 0.00 O ATOM 2078 CG2 THR B 58 10.588 -6.737 -0.036 1.00 0.00 C ATOM 0 H THR B 58 9.647 -8.061 -2.381 1.00 0.00 H new ATOM 0 HA THR B 58 8.529 -5.499 -2.509 1.00 0.00 H new ATOM 0 HB THR B 58 8.563 -7.184 -0.622 1.00 0.00 H new ATOM 0 HG1 THR B 58 8.170 -5.281 0.543 1.00 0.00 H new ATOM 0 HG21 THR B 58 10.406 -6.988 1.009 1.00 0.00 H new ATOM 0 HG22 THR B 58 11.020 -7.598 -0.546 1.00 0.00 H new ATOM 0 HG23 THR B 58 11.280 -5.897 -0.092 1.00 0.00 H new ATOM 2086 N HIS B 59 11.780 -5.521 -2.754 1.00 0.00 N ATOM 2087 CA HIS B 59 12.941 -4.687 -3.011 1.00 0.00 C ATOM 2088 C HIS B 59 12.713 -3.886 -4.295 1.00 0.00 C ATOM 2089 O HIS B 59 12.865 -2.656 -4.256 1.00 0.00 O ATOM 2090 CB HIS B 59 14.220 -5.527 -3.056 1.00 0.00 C ATOM 2091 CG HIS B 59 15.347 -4.974 -2.218 1.00 0.00 C ATOM 2092 ND1 HIS B 59 15.147 -4.408 -0.971 1.00 0.00 N ATOM 2093 CD2 HIS B 59 16.688 -4.908 -2.460 1.00 0.00 C ATOM 2094 CE1 HIS B 59 16.320 -4.020 -0.494 1.00 0.00 C ATOM 2095 NE2 HIS B 59 17.274 -4.330 -1.418 1.00 0.00 N ATOM 0 H HIS B 59 11.956 -6.522 -2.842 1.00 0.00 H new ATOM 0 HA HIS B 59 13.074 -3.978 -2.194 1.00 0.00 H new ATOM 0 HB2 HIS B 59 13.991 -6.537 -2.717 1.00 0.00 H new ATOM 0 HB3 HIS B 59 14.555 -5.606 -4.090 1.00 0.00 H new ATOM 0 HD2 HIS B 59 17.188 -5.265 -3.348 1.00 0.00 H new ATOM 0 HE1 HIS B 59 16.491 -3.542 0.459 1.00 0.00 H new ATOM 0 HE2 HIS B 59 18.273 -4.148 -1.324 1.00 0.00 H new ATOM 2103 N VAL B 60 12.359 -4.586 -5.388 1.00 0.00 N ATOM 2104 CA VAL B 60 12.114 -3.944 -6.668 1.00 0.00 C ATOM 2105 C VAL B 60 10.962 -2.948 -6.521 1.00 0.00 C ATOM 2106 O VAL B 60 11.065 -1.842 -7.071 1.00 0.00 O ATOM 2107 CB VAL B 60 11.856 -5.002 -7.742 1.00 0.00 C ATOM 2108 CG1 VAL B 60 10.814 -4.515 -8.752 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.156 -5.398 -8.444 1.00 0.00 C ATOM 0 H VAL B 60 12.239 -5.599 -5.398 1.00 0.00 H new ATOM 0 HA VAL B 60 12.991 -3.382 -6.988 1.00 0.00 H new ATOM 0 HB VAL B 60 11.457 -5.889 -7.250 1.00 0.00 H new ATOM 0 HG11 VAL B 60 10.649 -5.286 -9.505 1.00 0.00 H new ATOM 0 HG12 VAL B 60 9.877 -4.305 -8.236 1.00 0.00 H new ATOM 0 HG13 VAL B 60 11.173 -3.606 -9.236 1.00 0.00 H new ATOM 0 HG21 VAL B 60 12.945 -6.151 -9.203 1.00 0.00 H new ATOM 0 HG22 VAL B 60 13.596 -4.520 -8.917 1.00 0.00 H new ATOM 0 HG23 VAL B 60 13.855 -5.805 -7.713 1.00 0.00 H new ATOM 2119 N GLY B 61 9.905 -3.353 -5.794 1.00 0.00 N ATOM 2120 CA GLY B 61 8.747 -2.502 -5.578 1.00 0.00 C ATOM 2121 C GLY B 61 9.191 -1.207 -4.895 1.00 0.00 C ATOM 2122 O GLY B 61 8.741 -0.132 -5.318 1.00 0.00 O ATOM 0 H GLY B 61 9.840 -4.269 -5.350 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.264 -2.278 -6.529 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.012 -3.019 -4.961 1.00 0.00 H new ATOM 2126 N LYS B 62 10.051 -1.332 -3.868 1.00 0.00 N ATOM 2127 CA LYS B 62 10.549 -0.181 -3.135 1.00 0.00 C ATOM 2128 C LYS B 62 11.243 0.776 -4.108 1.00 0.00 C ATOM 2129 O LYS B 62 11.165 1.994 -3.893 1.00 0.00 O ATOM 2130 CB LYS B 62 11.436 -0.627 -1.973 1.00 0.00 C ATOM 2131 CG LYS B 62 11.728 0.538 -1.025 1.00 0.00 C ATOM 2132 CD LYS B 62 13.131 1.101 -1.263 1.00 0.00 C ATOM 2133 CE LYS B 62 14.174 -0.019 -1.288 1.00 0.00 C ATOM 2134 NZ LYS B 62 15.441 0.444 -0.699 1.00 0.00 N ATOM 0 H LYS B 62 10.410 -2.227 -3.535 1.00 0.00 H new ATOM 0 HA LYS B 62 9.724 0.368 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS B 62 10.946 -1.432 -1.425 1.00 0.00 H new ATOM 0 HB3 LYS B 62 12.373 -1.029 -2.360 1.00 0.00 H new ATOM 0 HG2 LYS B 62 10.987 1.324 -1.171 1.00 0.00 H new ATOM 0 HG3 LYS B 62 11.638 0.202 0.008 1.00 0.00 H new ATOM 0 HD2 LYS B 62 13.153 1.645 -2.207 1.00 0.00 H new ATOM 0 HD3 LYS B 62 13.378 1.816 -0.478 1.00 0.00 H new ATOM 0 HE2 LYS B 62 13.803 -0.882 -0.735 1.00 0.00 H new ATOM 0 HE3 LYS B 62 14.341 -0.346 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 16.138 -0.328 -0.724 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 15.802 1.254 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 15.280 0.734 0.287 1.00 0.00 H new ATOM 2148 N GLN B 63 11.898 0.215 -5.140 1.00 0.00 N ATOM 2149 CA GLN B 63 12.598 1.012 -6.133 1.00 0.00 C ATOM 2150 C GLN B 63 11.576 1.694 -7.044 1.00 0.00 C ATOM 2151 O GLN B 63 11.805 2.851 -7.426 1.00 0.00 O ATOM 2152 CB GLN B 63 13.578 0.164 -6.945 1.00 0.00 C ATOM 2153 CG GLN B 63 15.011 0.355 -6.446 1.00 0.00 C ATOM 2154 CD GLN B 63 15.625 -0.981 -6.020 1.00 0.00 C ATOM 2155 OE1 GLN B 63 16.240 -1.105 -4.973 1.00 0.00 O ATOM 2156 NE2 GLN B 63 15.425 -1.969 -6.887 1.00 0.00 N ATOM 0 H GLN B 63 11.950 -0.791 -5.298 1.00 0.00 H new ATOM 0 HA GLN B 63 13.187 1.772 -5.620 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.301 -0.888 -6.873 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.516 0.438 -7.998 1.00 0.00 H new ATOM 0 HG2 GLN B 63 15.617 0.804 -7.233 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.018 1.048 -5.604 1.00 0.00 H new ATOM 0 HE21 GLN B 63 14.901 -1.796 -7.745 1.00 0.00 H new ATOM 0 HE22 GLN B 63 15.796 -2.900 -6.694 1.00 0.00 H new ATOM 2165 N ILE B 64 10.487 0.977 -7.372 1.00 0.00 N ATOM 2166 CA ILE B 64 9.443 1.509 -8.230 1.00 0.00 C ATOM 2167 C ILE B 64 8.801 2.723 -7.553 1.00 0.00 C ATOM 2168 O ILE B 64 8.599 3.739 -8.233 1.00 0.00 O ATOM 2169 CB ILE B 64 8.442 0.412 -8.601 1.00 0.00 C ATOM 2170 CG1 ILE B 64 8.297 0.295 -10.120 1.00 0.00 C ATOM 2171 CG2 ILE B 64 7.095 0.642 -7.912 1.00 0.00 C ATOM 2172 CD1 ILE B 64 7.405 1.408 -10.673 1.00 0.00 C ATOM 0 H ILE B 64 10.317 0.025 -7.048 1.00 0.00 H new ATOM 0 HA ILE B 64 9.866 1.855 -9.173 1.00 0.00 H new ATOM 0 HB ILE B 64 8.829 -0.541 -8.239 1.00 0.00 H new ATOM 0 HG12 ILE B 64 9.280 0.346 -10.588 1.00 0.00 H new ATOM 0 HG13 ILE B 64 7.873 -0.676 -10.375 1.00 0.00 H new ATOM 0 HG21 ILE B 64 6.402 -0.152 -8.193 1.00 0.00 H new ATOM 0 HG22 ILE B 64 7.234 0.637 -6.831 1.00 0.00 H new ATOM 0 HG23 ILE B 64 6.688 1.605 -8.221 1.00 0.00 H new ATOM 0 HD11 ILE B 64 7.319 1.302 -11.754 1.00 0.00 H new ATOM 0 HD12 ILE B 64 6.415 1.339 -10.221 1.00 0.00 H new ATOM 0 HD13 ILE B 64 7.845 2.377 -10.438 1.00 0.00 H new ATOM 2184 N VAL B 65 8.499 2.595 -6.249 1.00 0.00 N ATOM 2185 CA VAL B 65 7.887 3.673 -5.490 1.00 0.00 C ATOM 2186 C VAL B 65 8.901 4.805 -5.313 1.00 0.00 C ATOM 2187 O VAL B 65 8.498 5.975 -5.387 1.00 0.00 O ATOM 2188 CB VAL B 65 7.348 3.139 -4.163 1.00 0.00 C ATOM 2189 CG1 VAL B 65 6.879 4.282 -3.261 1.00 0.00 C ATOM 2190 CG2 VAL B 65 6.225 2.126 -4.394 1.00 0.00 C ATOM 0 H VAL B 65 8.674 1.749 -5.707 1.00 0.00 H new ATOM 0 HA VAL B 65 7.033 4.083 -6.029 1.00 0.00 H new ATOM 0 HB VAL B 65 8.163 2.624 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL B 65 6.500 3.874 -2.324 1.00 0.00 H new ATOM 0 HG12 VAL B 65 7.716 4.949 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL B 65 6.086 4.838 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL B 65 5.860 1.762 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL B 65 5.409 2.605 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL B 65 6.605 1.288 -4.979 1.00 0.00 H new ATOM 2200 N GLU B 66 10.176 4.441 -5.085 1.00 0.00 N ATOM 2201 CA GLU B 66 11.235 5.419 -4.899 1.00 0.00 C ATOM 2202 C GLU B 66 11.393 6.243 -6.178 1.00 0.00 C ATOM 2203 O GLU B 66 11.730 7.431 -6.076 1.00 0.00 O ATOM 2204 CB GLU B 66 12.555 4.751 -4.509 1.00 0.00 C ATOM 2205 CG GLU B 66 12.846 4.938 -3.019 1.00 0.00 C ATOM 2206 CD GLU B 66 14.249 4.440 -2.668 1.00 0.00 C ATOM 2207 OE1 GLU B 66 15.236 4.894 -3.266 1.00 0.00 O ATOM 2208 OE2 GLU B 66 14.294 3.548 -1.737 1.00 0.00 O ATOM 0 H GLU B 66 10.487 3.471 -5.027 1.00 0.00 H new ATOM 0 HA GLU B 66 10.960 6.080 -4.077 1.00 0.00 H new ATOM 0 HB2 GLU B 66 12.512 3.687 -4.744 1.00 0.00 H new ATOM 0 HB3 GLU B 66 13.369 5.174 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU B 66 12.754 5.992 -2.756 1.00 0.00 H new ATOM 0 HG3 GLU B 66 12.106 4.397 -2.430 1.00 0.00 H new ATOM 2215 N LYS B 67 11.150 5.606 -7.337 1.00 0.00 N ATOM 2216 CA LYS B 67 11.265 6.276 -8.622 1.00 0.00 C ATOM 2217 C LYS B 67 10.107 7.262 -8.784 1.00 0.00 C ATOM 2218 O LYS B 67 10.320 8.333 -9.373 1.00 0.00 O ATOM 2219 CB LYS B 67 11.364 5.251 -9.754 1.00 0.00 C ATOM 2220 CG LYS B 67 11.079 5.902 -11.109 1.00 0.00 C ATOM 2221 CD LYS B 67 9.574 5.952 -11.388 1.00 0.00 C ATOM 2222 CE LYS B 67 9.289 5.792 -12.882 1.00 0.00 C ATOM 2223 NZ LYS B 67 10.290 6.520 -13.680 1.00 0.00 N ATOM 0 H LYS B 67 10.873 4.626 -7.399 1.00 0.00 H new ATOM 0 HA LYS B 67 12.186 6.856 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS B 67 12.360 4.807 -9.762 1.00 0.00 H new ATOM 0 HB3 LYS B 67 10.656 4.441 -9.579 1.00 0.00 H new ATOM 0 HG2 LYS B 67 11.489 6.912 -11.125 1.00 0.00 H new ATOM 0 HG3 LYS B 67 11.580 5.342 -11.898 1.00 0.00 H new ATOM 0 HD2 LYS B 67 9.071 5.162 -10.831 1.00 0.00 H new ATOM 0 HD3 LYS B 67 9.166 6.899 -11.036 1.00 0.00 H new ATOM 0 HE2 LYS B 67 9.301 4.735 -13.149 1.00 0.00 H new ATOM 0 HE3 LYS B 67 8.291 6.167 -13.110 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 9.884 6.766 -14.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 10.566 7.389 -13.181 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 11.127 5.919 -13.818 1.00 0.00 H new ATOM 2237 N ILE B 68 8.922 6.890 -8.267 1.00 0.00 N ATOM 2238 CA ILE B 68 7.743 7.735 -8.354 1.00 0.00 C ATOM 2239 C ILE B 68 7.866 8.878 -7.345 1.00 0.00 C ATOM 2240 O ILE B 68 7.275 9.942 -7.584 1.00 0.00 O ATOM 2241 CB ILE B 68 6.472 6.901 -8.188 1.00 0.00 C ATOM 2242 CG1 ILE B 68 5.887 6.516 -9.548 1.00 0.00 C ATOM 2243 CG2 ILE B 68 5.451 7.628 -7.310 1.00 0.00 C ATOM 2244 CD1 ILE B 68 5.060 5.232 -9.446 1.00 0.00 C ATOM 0 H ILE B 68 8.767 6.004 -7.785 1.00 0.00 H new ATOM 0 HA ILE B 68 7.671 8.188 -9.343 1.00 0.00 H new ATOM 0 HB ILE B 68 6.735 5.975 -7.677 1.00 0.00 H new ATOM 0 HG12 ILE B 68 5.262 7.327 -9.922 1.00 0.00 H new ATOM 0 HG13 ILE B 68 6.693 6.377 -10.268 1.00 0.00 H new ATOM 0 HG21 ILE B 68 4.556 7.014 -7.208 1.00 0.00 H new ATOM 0 HG22 ILE B 68 5.882 7.809 -6.325 1.00 0.00 H new ATOM 0 HG23 ILE B 68 5.187 8.580 -7.771 1.00 0.00 H new ATOM 0 HD11 ILE B 68 4.656 4.981 -10.427 1.00 0.00 H new ATOM 0 HD12 ILE B 68 5.694 4.418 -9.095 1.00 0.00 H new ATOM 0 HD13 ILE B 68 4.240 5.382 -8.743 1.00 0.00 H new ATOM 2256 N LEU B 69 8.617 8.641 -6.255 1.00 0.00 N ATOM 2257 CA LEU B 69 8.813 9.644 -5.221 1.00 0.00 C ATOM 2258 C LEU B 69 9.771 10.720 -5.735 1.00 0.00 C ATOM 2259 O LEU B 69 9.682 11.862 -5.263 1.00 0.00 O ATOM 2260 CB LEU B 69 9.269 8.987 -3.917 1.00 0.00 C ATOM 2261 CG LEU B 69 8.179 8.293 -3.098 1.00 0.00 C ATOM 2262 CD1 LEU B 69 8.385 8.530 -1.600 1.00 0.00 C ATOM 2263 CD2 LEU B 69 6.786 8.726 -3.560 1.00 0.00 C ATOM 0 H LEU B 69 9.095 7.758 -6.077 1.00 0.00 H new ATOM 0 HA LEU B 69 7.871 10.140 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU B 69 10.040 8.254 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU B 69 9.735 9.750 -3.293 1.00 0.00 H new ATOM 0 HG LEU B 69 8.255 7.219 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.597 8.026 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.355 8.133 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.350 9.600 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.030 8.218 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.681 9.804 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.653 8.465 -4.610 1.00 0.00 H new ATOM 2275 N LYS B 70 10.653 10.341 -6.677 1.00 0.00 N ATOM 2276 CA LYS B 70 11.616 11.267 -7.247 1.00 0.00 C ATOM 2277 C LYS B 70 10.888 12.260 -8.154 1.00 0.00 C ATOM 2278 O LYS B 70 11.321 13.420 -8.228 1.00 0.00 O ATOM 2279 CB LYS B 70 12.741 10.504 -7.951 1.00 0.00 C ATOM 2280 CG LYS B 70 12.530 10.490 -9.466 1.00 0.00 C ATOM 2281 CD LYS B 70 13.022 11.791 -10.101 1.00 0.00 C ATOM 2282 CE LYS B 70 12.052 12.275 -11.181 1.00 0.00 C ATOM 2283 NZ LYS B 70 12.773 12.557 -12.433 1.00 0.00 N ATOM 0 H LYS B 70 10.709 9.394 -7.053 1.00 0.00 H new ATOM 0 HA LYS B 70 12.098 11.847 -6.460 1.00 0.00 H new ATOM 0 HB2 LYS B 70 13.700 10.967 -7.718 1.00 0.00 H new ATOM 0 HB3 LYS B 70 12.781 9.481 -7.576 1.00 0.00 H new ATOM 0 HG2 LYS B 70 13.062 9.645 -9.903 1.00 0.00 H new ATOM 0 HG3 LYS B 70 11.472 10.350 -9.688 1.00 0.00 H new ATOM 0 HD2 LYS B 70 13.129 12.557 -9.333 1.00 0.00 H new ATOM 0 HD3 LYS B 70 14.009 11.637 -10.536 1.00 0.00 H new ATOM 0 HE2 LYS B 70 11.288 11.518 -11.357 1.00 0.00 H new ATOM 0 HE3 LYS B 70 11.538 13.174 -10.840 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 12.100 12.884 -13.155 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 13.486 13.295 -12.264 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 13.243 11.691 -12.765 1.00 0.00 H new ATOM 2297 N GLU B 71 9.812 11.797 -8.814 1.00 0.00 N ATOM 2298 CA GLU B 71 9.032 12.639 -9.706 1.00 0.00 C ATOM 2299 C GLU B 71 7.912 13.315 -8.913 1.00 0.00 C ATOM 2300 O GLU B 71 7.160 14.100 -9.507 1.00 0.00 O ATOM 2301 CB GLU B 71 8.466 11.841 -10.882 1.00 0.00 C ATOM 2302 CG GLU B 71 8.012 10.450 -10.433 1.00 0.00 C ATOM 2303 CD GLU B 71 7.576 9.602 -11.629 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.435 9.731 -12.097 1.00 0.00 O ATOM 2305 OE2 GLU B 71 8.471 8.787 -12.074 1.00 0.00 O ATOM 0 H GLU B 71 9.471 10.839 -8.739 1.00 0.00 H new ATOM 0 HA GLU B 71 9.687 13.402 -10.127 1.00 0.00 H new ATOM 0 HB2 GLU B 71 7.625 12.378 -11.319 1.00 0.00 H new ATOM 0 HB3 GLU B 71 9.223 11.747 -11.660 1.00 0.00 H new ATOM 0 HG2 GLU B 71 8.825 9.951 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU B 71 7.186 10.543 -9.728 1.00 0.00 H new ATOM 2312 N GLU B 72 7.826 13.002 -7.607 1.00 0.00 N ATOM 2313 CA GLU B 72 6.807 13.576 -6.744 1.00 0.00 C ATOM 2314 C GLU B 72 7.420 14.712 -5.924 1.00 0.00 C ATOM 2315 O GLU B 72 7.470 15.843 -6.428 1.00 0.00 O ATOM 2316 CB GLU B 72 6.182 12.517 -5.832 1.00 0.00 C ATOM 2317 CG GLU B 72 5.035 11.791 -6.541 1.00 0.00 C ATOM 2318 CD GLU B 72 3.679 12.314 -6.066 1.00 0.00 C ATOM 2319 OE1 GLU B 72 3.215 13.315 -6.733 1.00 0.00 O ATOM 2320 OE2 GLU B 72 3.111 11.777 -5.102 1.00 0.00 O ATOM 0 H GLU B 72 8.456 12.353 -7.137 1.00 0.00 H new ATOM 0 HA GLU B 72 6.005 13.973 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU B 72 6.942 11.796 -5.531 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.811 12.988 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.124 11.928 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.104 10.720 -6.349 1.00 0.00 H new ATOM 2327 N SER B 73 7.868 14.394 -4.696 1.00 0.00 N ATOM 2328 CA SER B 73 8.471 15.383 -3.816 1.00 0.00 C ATOM 2329 C SER B 73 9.450 16.242 -4.619 1.00 0.00 C ATOM 2330 O SER B 73 9.256 17.449 -4.748 1.00 0.00 O ATOM 2331 CB SER B 73 9.189 14.720 -2.639 1.00 0.00 C ATOM 2332 OG SER B 73 10.349 14.005 -3.055 1.00 0.00 O ATOM 0 H SER B 73 7.819 13.455 -4.300 1.00 0.00 H new ATOM 0 HA SER B 73 7.680 16.011 -3.406 1.00 0.00 H new ATOM 0 HB2 SER B 73 9.474 15.481 -1.913 1.00 0.00 H new ATOM 0 HB3 SER B 73 8.504 14.038 -2.134 1.00 0.00 H new ATOM 0 HG SER B 73 10.110 13.382 -3.773 1.00 0.00 H new TER 2338 SER B 73