USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 923 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 21 ASN : amide:sc= -0.47 K(o=-4.7,f=-5.3) USER MOD Set 1.2: B 52 ASN :FLIP amide:sc= -4.22! C(o=-7!,f=-4.7!) USER MOD Set 2.1: B 3 ASN : amide:sc= -0.654 K(o=-0.79,f=-4.4!) USER MOD Set 2.2: B 39 SER OG : rot 180:sc= -0.132 USER MOD Set 3.1: B 26 GLN :FLIP amide:sc= -0.564 F(o=-16!,f=-1.8) USER MOD Set 3.2: B 55 GLN :FLIP amide:sc= -1.23 F(o=-4!,f=-1.8) USER MOD Set 4.1: A 21 ASN :FLIP amide:sc= -1.59 F(o=-16!,f=-12) USER MOD Set 4.2: A 52 ASN : amide:sc= -9.92! C(o=-12!,f=-20!) USER MOD Set 5.1: A 28 LYS NZ :NH3+ -107:sc= -2.61 (180deg=-5.15!) USER MOD Set 5.2: B 23 ASN : amide:sc= -8.74! C(o=-11!,f=-21!) USER MOD Set 5.3: B 24 SER OG : rot -174:sc= 0.343 USER MOD Set 6.1: A 26 GLN :FLIP amide:sc= -0.342 F(o=-7.1,f=-2.7) USER MOD Set 6.2: A 55 GLN :FLIP amide:sc= -2.31! C(o=-6.6!,f=-2.7!) USER MOD Set 7.1: A 13 THR OG1 : rot 113:sc= -2.16 USER MOD Set 7.2: B 17 MET CE :methyl -124:sc= -12! (180deg=-12.4!) USER MOD Single : A 1 VAL N :NH3+ 178:sc= -1.02 (180deg=-1.03) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= -0.315 (180deg=-0.459) USER MOD Single : A 6 ASN : amide:sc= -3.6 K(o=-3.6,f=-11!) USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= -0.39 (180deg=-0.421) USER MOD Single : A 18 ASN :FLIP amide:sc= -2.09 F(o=-7.7!,f=-2.1) USER MOD Single : A 23 ASN : amide:sc= -2.78! C(o=-2.8!,f=-6!) USER MOD Single : A 33 SER OG : rot 75:sc= 0.7 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.878 K(o=-0.88,f=-4.6!) USER MOD Single : A 41 SER OG : rot -93:sc= 0.359 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= -1.69 (180deg=-1.87) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= 0.759 (180deg=0.347) USER MOD Single : A 58 LYS NZ :NH3+ 151:sc= 2.04 (180deg=-0.437) USER MOD Single : B 1 VAL N :NH3+ -130:sc= -0.0759 (180deg=-0.451) USER MOD Single : B 4 LYS NZ :NH3+ 135:sc= 0.911 (180deg=-0.882) USER MOD Single : B 6 ASN : amide:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : B 7 LYS NZ :NH3+ -127:sc= 0.514 (180deg=-0.241) USER MOD Single : B 32 ASN : amide:sc= -0.0325 K(o=-0.032,f=-1.1) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : B 41 SER OG : rot 134:sc= -4.15! USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 156:sc= -2.43 (180deg=-3.21!) USER MOD Single : B 50 LYS NZ :NH3+ -133:sc= 0.649 (180deg=0.292) USER MOD Single : B 58 LYS NZ :NH3+ 167:sc= -4.33! (180deg=-5.36!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 13.167 -11.407 7.973 1.00 0.00 N ATOM 2 CA VAL A 1 12.284 -12.466 8.545 1.00 0.00 C ATOM 3 C VAL A 1 11.291 -12.926 7.471 1.00 0.00 C ATOM 4 O VAL A 1 11.617 -12.928 6.281 1.00 0.00 O ATOM 5 CB VAL A 1 11.553 -11.910 9.788 1.00 0.00 C ATOM 6 CG1 VAL A 1 12.579 -11.527 10.863 1.00 0.00 C ATOM 7 CG2 VAL A 1 10.725 -10.669 9.412 1.00 0.00 C ATOM 0 H1 VAL A 1 13.821 -11.067 8.707 1.00 0.00 H new ATOM 0 H2 VAL A 1 13.712 -11.801 7.179 1.00 0.00 H new ATOM 0 H3 VAL A 1 12.584 -10.615 7.634 1.00 0.00 H new ATOM 0 HA VAL A 1 12.876 -13.326 8.857 1.00 0.00 H new ATOM 0 HB VAL A 1 10.885 -12.681 10.173 1.00 0.00 H new ATOM 0 HG11 VAL A 1 12.060 -11.135 11.738 1.00 0.00 H new ATOM 0 HG12 VAL A 1 13.155 -12.408 11.147 1.00 0.00 H new ATOM 0 HG13 VAL A 1 13.252 -10.765 10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 1 10.216 -10.289 10.298 1.00 0.00 H new ATOM 0 HG22 VAL A 1 11.385 -9.898 9.014 1.00 0.00 H new ATOM 0 HG23 VAL A 1 9.986 -10.939 8.657 1.00 0.00 H new ATOM 19 N ASP A 2 10.084 -13.310 7.895 1.00 0.00 N ATOM 20 CA ASP A 2 9.047 -13.766 6.969 1.00 0.00 C ATOM 21 C ASP A 2 8.482 -12.588 6.163 1.00 0.00 C ATOM 22 O ASP A 2 9.082 -11.513 6.116 1.00 0.00 O ATOM 23 CB ASP A 2 7.924 -14.459 7.758 1.00 0.00 C ATOM 24 CG ASP A 2 7.118 -13.433 8.559 1.00 0.00 C ATOM 25 OD1 ASP A 2 7.701 -12.777 9.409 1.00 0.00 O ATOM 26 OD2 ASP A 2 5.931 -13.312 8.302 1.00 0.00 O ATOM 0 H ASP A 2 9.802 -13.314 8.875 1.00 0.00 H new ATOM 0 HA ASP A 2 9.487 -14.475 6.268 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.265 -14.992 7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.350 -15.202 8.432 1.00 0.00 H new ATOM 31 N ASN A 3 7.329 -12.807 5.529 1.00 0.00 N ATOM 32 CA ASN A 3 6.685 -11.772 4.718 1.00 0.00 C ATOM 33 C ASN A 3 5.917 -10.768 5.586 1.00 0.00 C ATOM 34 O ASN A 3 5.139 -9.965 5.066 1.00 0.00 O ATOM 35 CB ASN A 3 5.726 -12.426 3.713 1.00 0.00 C ATOM 36 CG ASN A 3 6.493 -13.368 2.787 1.00 0.00 C ATOM 37 OD1 ASN A 3 7.536 -12.998 2.244 1.00 0.00 O ATOM 38 ND2 ASN A 3 6.037 -14.571 2.573 1.00 0.00 N ATOM 0 H ASN A 3 6.822 -13.691 5.561 1.00 0.00 H new ATOM 0 HA ASN A 3 7.466 -11.227 4.188 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.952 -12.978 4.245 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.223 -11.657 3.126 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.543 -15.206 1.956 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.174 -14.877 3.023 1.00 0.00 H new ATOM 45 N LYS A 4 6.137 -10.809 6.905 1.00 0.00 N ATOM 46 CA LYS A 4 5.458 -9.885 7.815 1.00 0.00 C ATOM 47 C LYS A 4 5.728 -8.440 7.400 1.00 0.00 C ATOM 48 O LYS A 4 4.823 -7.609 7.417 1.00 0.00 O ATOM 49 CB LYS A 4 5.929 -10.114 9.263 1.00 0.00 C ATOM 50 CG LYS A 4 5.254 -9.112 10.220 1.00 0.00 C ATOM 51 CD LYS A 4 3.777 -9.490 10.428 1.00 0.00 C ATOM 52 CE LYS A 4 2.864 -8.321 10.027 1.00 0.00 C ATOM 53 NZ LYS A 4 3.170 -7.126 10.867 1.00 0.00 N ATOM 0 H LYS A 4 6.772 -11.464 7.360 1.00 0.00 H new ATOM 0 HA LYS A 4 4.386 -10.073 7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.694 -11.133 9.570 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.012 -10.006 9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.774 -9.106 11.178 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.325 -8.104 9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.533 -10.371 9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.606 -9.752 11.472 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.007 -8.082 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.819 -8.605 10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.453 -6.391 10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.161 -7.396 11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.109 -6.757 10.616 1.00 0.00 H new ATOM 67 N PHE A 5 6.974 -8.154 7.016 1.00 0.00 N ATOM 68 CA PHE A 5 7.342 -6.811 6.590 1.00 0.00 C ATOM 69 C PHE A 5 6.528 -6.412 5.359 1.00 0.00 C ATOM 70 O PHE A 5 6.077 -5.278 5.261 1.00 0.00 O ATOM 71 CB PHE A 5 8.855 -6.725 6.307 1.00 0.00 C ATOM 72 CG PHE A 5 9.167 -7.173 4.892 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.219 -8.539 4.584 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.401 -6.220 3.890 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.505 -8.952 3.279 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.687 -6.635 2.585 1.00 0.00 C ATOM 77 CZ PHE A 5 9.739 -8.001 2.279 1.00 0.00 C ATOM 0 H PHE A 5 7.736 -8.831 6.993 1.00 0.00 H new ATOM 0 HA PHE A 5 7.115 -6.111 7.394 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.199 -5.701 6.453 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.398 -7.348 7.018 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.038 -9.273 5.355 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.360 -5.167 4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.545 -10.005 3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.868 -5.902 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.960 -8.320 1.271 1.00 0.00 H new ATOM 87 N ASN A 6 6.335 -7.361 4.432 1.00 0.00 N ATOM 88 CA ASN A 6 5.553 -7.104 3.227 1.00 0.00 C ATOM 89 C ASN A 6 4.103 -6.859 3.598 1.00 0.00 C ATOM 90 O ASN A 6 3.482 -5.916 3.121 1.00 0.00 O ATOM 91 CB ASN A 6 5.630 -8.318 2.303 1.00 0.00 C ATOM 92 CG ASN A 6 4.853 -8.091 1.008 1.00 0.00 C ATOM 93 OD1 ASN A 6 4.705 -6.965 0.564 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.332 -9.112 0.387 1.00 0.00 N ATOM 0 H ASN A 6 6.710 -8.307 4.498 1.00 0.00 H new ATOM 0 HA ASN A 6 5.954 -6.226 2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.673 -8.532 2.069 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.233 -9.193 2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.800 -8.970 -0.471 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.457 -10.053 0.760 1.00 0.00 H new ATOM 101 N LYS A 7 3.580 -7.710 4.478 1.00 0.00 N ATOM 102 CA LYS A 7 2.212 -7.574 4.925 1.00 0.00 C ATOM 103 C LYS A 7 2.073 -6.242 5.634 1.00 0.00 C ATOM 104 O LYS A 7 1.107 -5.525 5.437 1.00 0.00 O ATOM 105 CB LYS A 7 1.845 -8.733 5.863 1.00 0.00 C ATOM 106 CG LYS A 7 0.325 -8.774 6.077 1.00 0.00 C ATOM 107 CD LYS A 7 -0.072 -10.066 6.809 1.00 0.00 C ATOM 108 CE LYS A 7 -0.607 -11.088 5.799 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.174 -12.256 6.528 1.00 0.00 N ATOM 0 H LYS A 7 4.086 -8.494 4.889 1.00 0.00 H new ATOM 0 HA LYS A 7 1.531 -7.607 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.186 -9.677 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.352 -8.612 6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.008 -7.907 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.187 -8.720 5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.790 -10.477 7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.832 -9.851 7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.373 -10.630 5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.194 -11.414 5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.598 -12.918 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.417 -12.738 7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.904 -11.929 7.193 1.00 0.00 H new ATOM 123 N GLU A 8 3.076 -5.910 6.442 1.00 0.00 N ATOM 124 CA GLU A 8 3.069 -4.648 7.166 1.00 0.00 C ATOM 125 C GLU A 8 3.272 -3.476 6.213 1.00 0.00 C ATOM 126 O GLU A 8 2.633 -2.439 6.350 1.00 0.00 O ATOM 127 CB GLU A 8 4.133 -4.657 8.266 1.00 0.00 C ATOM 128 CG GLU A 8 4.081 -3.338 9.057 1.00 0.00 C ATOM 129 CD GLU A 8 2.690 -3.130 9.670 1.00 0.00 C ATOM 130 OE1 GLU A 8 2.209 -4.037 10.335 1.00 0.00 O ATOM 131 OE2 GLU A 8 2.119 -2.073 9.448 1.00 0.00 O ATOM 0 H GLU A 8 3.896 -6.493 6.609 1.00 0.00 H new ATOM 0 HA GLU A 8 2.094 -4.526 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.968 -5.500 8.937 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.122 -4.789 7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.834 -3.351 9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.323 -2.503 8.399 1.00 0.00 H new ATOM 138 N LEU A 9 4.128 -3.680 5.226 1.00 0.00 N ATOM 139 CA LEU A 9 4.388 -2.672 4.197 1.00 0.00 C ATOM 140 C LEU A 9 3.077 -2.381 3.493 1.00 0.00 C ATOM 141 O LEU A 9 2.738 -1.230 3.237 1.00 0.00 O ATOM 142 CB LEU A 9 5.444 -3.218 3.221 1.00 0.00 C ATOM 143 CG LEU A 9 5.601 -2.298 2.001 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.409 -1.045 2.327 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.326 -3.049 0.907 1.00 0.00 C ATOM 0 H LEU A 9 4.662 -4.541 5.110 1.00 0.00 H new ATOM 0 HA LEU A 9 4.774 -1.748 4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.401 -3.314 3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.157 -4.217 2.892 1.00 0.00 H new ATOM 0 HG LEU A 9 4.602 -1.995 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.494 -0.425 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.906 -0.482 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.405 -1.332 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.442 -2.403 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.309 -3.354 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.751 -3.932 0.629 1.00 0.00 H new ATOM 157 N GLY A 10 2.320 -3.438 3.235 1.00 0.00 N ATOM 158 CA GLY A 10 1.036 -3.300 2.619 1.00 0.00 C ATOM 159 C GLY A 10 0.031 -2.776 3.619 1.00 0.00 C ATOM 160 O GLY A 10 -0.839 -1.977 3.288 1.00 0.00 O ATOM 0 H GLY A 10 2.587 -4.399 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.103 -2.620 1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.705 -4.263 2.231 1.00 0.00 H new ATOM 164 N TRP A 11 0.123 -3.257 4.849 1.00 0.00 N ATOM 165 CA TRP A 11 -0.835 -2.835 5.837 1.00 0.00 C ATOM 166 C TRP A 11 -0.683 -1.394 6.215 1.00 0.00 C ATOM 167 O TRP A 11 -1.660 -0.645 6.201 1.00 0.00 O ATOM 168 CB TRP A 11 -0.843 -3.710 7.074 1.00 0.00 C ATOM 169 CG TRP A 11 -2.269 -3.804 7.546 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.634 -3.850 8.834 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.529 -3.824 6.762 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.014 -3.940 8.907 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.606 -3.912 7.663 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.842 -3.785 5.376 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.930 -3.953 7.222 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.157 -3.821 4.932 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.208 -3.902 5.852 1.00 0.00 C ATOM 0 H TRP A 11 0.829 -3.918 5.172 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.804 -2.952 5.351 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.447 -4.700 6.847 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.208 -3.283 7.851 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.961 -3.822 9.678 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.533 -4.018 9.782 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.041 -3.726 4.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.737 -4.024 7.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.369 -3.786 3.874 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.231 -3.925 5.506 1.00 0.00 H new ATOM 188 N ALA A 12 0.527 -0.997 6.540 1.00 0.00 N ATOM 189 CA ALA A 12 0.749 0.373 6.902 1.00 0.00 C ATOM 190 C ALA A 12 0.313 1.256 5.732 1.00 0.00 C ATOM 191 O ALA A 12 -0.320 2.285 5.928 1.00 0.00 O ATOM 192 CB ALA A 12 2.218 0.593 7.249 1.00 0.00 C ATOM 0 H ALA A 12 1.354 -1.594 6.560 1.00 0.00 H new ATOM 0 HA ALA A 12 0.165 0.634 7.784 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.375 1.636 7.522 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.494 -0.047 8.087 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.837 0.347 6.386 1.00 0.00 H new ATOM 198 N THR A 13 0.601 0.791 4.508 1.00 0.00 N ATOM 199 CA THR A 13 0.190 1.497 3.298 1.00 0.00 C ATOM 200 C THR A 13 -1.315 1.705 3.304 1.00 0.00 C ATOM 201 O THR A 13 -1.786 2.808 3.072 1.00 0.00 O ATOM 202 CB THR A 13 0.593 0.642 2.093 1.00 0.00 C ATOM 203 OG1 THR A 13 1.957 0.864 1.821 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.244 0.988 0.861 1.00 0.00 C ATOM 0 H THR A 13 1.117 -0.072 4.335 1.00 0.00 H new ATOM 0 HA THR A 13 0.671 2.474 3.248 1.00 0.00 H new ATOM 0 HB THR A 13 0.417 -0.407 2.329 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.465 0.047 2.008 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.067 0.364 0.023 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.298 0.810 1.075 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.098 2.037 0.605 1.00 0.00 H new ATOM 212 N TRP A 14 -2.041 0.631 3.594 1.00 0.00 N ATOM 213 CA TRP A 14 -3.502 0.651 3.644 1.00 0.00 C ATOM 214 C TRP A 14 -4.026 1.590 4.713 1.00 0.00 C ATOM 215 O TRP A 14 -4.957 2.350 4.480 1.00 0.00 O ATOM 216 CB TRP A 14 -3.965 -0.746 3.993 1.00 0.00 C ATOM 217 CG TRP A 14 -5.420 -0.940 3.710 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.370 -1.077 4.659 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.112 -1.043 2.431 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.576 -1.336 4.060 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.475 -1.315 2.694 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.706 -0.953 1.082 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.384 -1.503 1.676 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.628 -1.134 0.069 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.954 -1.414 0.362 1.00 0.00 C ATOM 0 H TRP A 14 -1.634 -0.281 3.802 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.874 0.992 2.678 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.385 -1.473 3.425 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.772 -0.939 5.048 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.206 -0.995 5.723 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.441 -1.521 4.568 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.674 -0.743 0.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.419 -1.717 1.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.313 -1.057 -0.961 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.659 -1.564 -0.442 1.00 0.00 H new ATOM 236 N GLU A 15 -3.432 1.500 5.893 1.00 0.00 N ATOM 237 CA GLU A 15 -3.853 2.319 7.016 1.00 0.00 C ATOM 238 C GLU A 15 -3.629 3.795 6.693 1.00 0.00 C ATOM 239 O GLU A 15 -4.488 4.634 6.966 1.00 0.00 O ATOM 240 CB GLU A 15 -3.076 1.879 8.258 1.00 0.00 C ATOM 241 CG GLU A 15 -3.454 0.423 8.603 1.00 0.00 C ATOM 242 CD GLU A 15 -2.488 -0.139 9.644 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.699 0.118 10.819 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.549 -0.815 9.251 1.00 0.00 O ATOM 0 H GLU A 15 -2.658 0.868 6.096 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.918 2.190 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.004 1.956 8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.306 2.536 9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.474 0.385 8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.427 -0.191 7.703 1.00 0.00 H new ATOM 251 N ILE A 16 -2.497 4.086 6.048 1.00 0.00 N ATOM 252 CA ILE A 16 -2.186 5.452 5.614 1.00 0.00 C ATOM 253 C ILE A 16 -3.168 5.834 4.499 1.00 0.00 C ATOM 254 O ILE A 16 -3.651 6.965 4.423 1.00 0.00 O ATOM 255 CB ILE A 16 -0.738 5.501 5.066 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.271 5.157 6.175 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.413 6.896 4.516 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.664 4.918 5.568 1.00 0.00 C ATOM 0 H ILE A 16 -1.782 3.397 5.815 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.274 6.146 6.450 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.663 4.768 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.317 5.969 6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.057 4.267 6.713 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.609 6.908 4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.103 7.139 3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.513 7.633 5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.370 4.675 6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.615 4.090 4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.995 5.819 5.051 1.00 0.00 H new ATOM 270 N PHE A 17 -3.449 4.846 3.648 1.00 0.00 N ATOM 271 CA PHE A 17 -4.369 4.988 2.518 1.00 0.00 C ATOM 272 C PHE A 17 -5.784 5.270 3.023 1.00 0.00 C ATOM 273 O PHE A 17 -6.537 6.031 2.416 1.00 0.00 O ATOM 274 CB PHE A 17 -4.375 3.662 1.740 1.00 0.00 C ATOM 275 CG PHE A 17 -4.662 3.857 0.275 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.609 4.128 -0.609 1.00 0.00 C ATOM 277 CD2 PHE A 17 -5.961 3.706 -0.208 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.860 4.255 -1.972 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.215 3.822 -1.578 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.163 4.098 -2.458 1.00 0.00 C ATOM 0 H PHE A 17 -3.040 3.915 3.725 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.048 5.814 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.408 3.172 1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.124 2.996 2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.603 4.238 -0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.771 3.499 0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.051 4.474 -2.653 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.219 3.699 -1.955 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.357 4.190 -3.516 1.00 0.00 H new ATOM 290 N ASN A 18 -6.133 4.601 4.124 1.00 0.00 N ATOM 291 CA ASN A 18 -7.461 4.713 4.721 1.00 0.00 C ATOM 292 C ASN A 18 -7.546 5.831 5.764 1.00 0.00 C ATOM 293 O ASN A 18 -8.595 5.993 6.394 1.00 0.00 O ATOM 294 CB ASN A 18 -7.838 3.382 5.396 1.00 0.00 C ATOM 295 CG ASN A 18 -7.917 2.230 4.386 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.418 2.361 3.187 1.00 0.00 O flip ATOM 297 ND2 ASN A 18 -8.446 1.170 4.710 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.505 3.970 4.623 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.153 4.953 3.914 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.101 3.142 6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.799 3.490 5.900 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.838 1.061 5.645 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.493 0.399 4.044 1.00 0.00 H new ATOM 304 N LEU A 19 -6.470 6.606 5.959 1.00 0.00 N ATOM 305 CA LEU A 19 -6.525 7.677 6.947 1.00 0.00 C ATOM 306 C LEU A 19 -7.485 8.763 6.454 1.00 0.00 C ATOM 307 O LEU A 19 -7.430 9.147 5.284 1.00 0.00 O ATOM 308 CB LEU A 19 -5.139 8.264 7.225 1.00 0.00 C ATOM 309 CG LEU A 19 -4.531 7.620 8.487 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.167 8.215 8.731 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.380 7.900 9.730 1.00 0.00 C ATOM 0 H LEU A 19 -5.584 6.513 5.463 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.889 7.265 7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.485 8.093 6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.213 9.343 7.358 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.483 6.544 8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.728 7.766 9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.525 8.019 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.260 9.291 8.876 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.919 7.430 10.599 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.445 8.976 9.891 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.381 7.494 9.586 1.00 0.00 H new ATOM 323 N PRO A 20 -8.389 9.226 7.290 1.00 0.00 N ATOM 324 CA PRO A 20 -9.413 10.235 6.899 1.00 0.00 C ATOM 325 C PRO A 20 -8.936 11.692 6.894 1.00 0.00 C ATOM 326 O PRO A 20 -9.785 12.590 6.901 1.00 0.00 O ATOM 327 CB PRO A 20 -10.522 10.046 7.960 1.00 0.00 C ATOM 328 CG PRO A 20 -10.071 8.947 8.867 1.00 0.00 C ATOM 329 CD PRO A 20 -8.567 8.864 8.703 1.00 0.00 C ATOM 0 HA PRO A 20 -9.720 10.070 5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.682 10.968 8.520 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.470 9.792 7.487 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.340 9.159 9.902 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.546 8.002 8.602 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.046 9.552 9.368 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.188 7.865 8.918 1.00 0.00 H new ATOM 337 N ASN A 21 -7.618 11.965 6.902 1.00 0.00 N ATOM 338 CA ASN A 21 -7.196 13.383 6.925 1.00 0.00 C ATOM 339 C ASN A 21 -5.929 13.662 6.122 1.00 0.00 C ATOM 340 O ASN A 21 -5.528 14.821 5.996 1.00 0.00 O ATOM 341 CB ASN A 21 -7.004 13.845 8.373 1.00 0.00 C ATOM 342 CG ASN A 21 -8.317 13.743 9.143 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.543 12.703 9.895 1.00 0.00 O flip ATOM 344 ND2 ASN A 21 -9.164 14.629 9.046 1.00 0.00 N flip ATOM 0 H ASN A 21 -6.867 11.275 6.894 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.995 13.948 6.444 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.242 13.235 8.858 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.645 14.874 8.388 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.986 15.443 8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.045 14.550 9.554 1.00 0.00 H new ATOM 351 N LEU A 22 -5.309 12.629 5.573 1.00 0.00 N ATOM 352 CA LEU A 22 -4.095 12.826 4.782 1.00 0.00 C ATOM 353 C LEU A 22 -4.426 13.292 3.376 1.00 0.00 C ATOM 354 O LEU A 22 -5.484 12.958 2.836 1.00 0.00 O ATOM 355 CB LEU A 22 -3.299 11.530 4.703 1.00 0.00 C ATOM 356 CG LEU A 22 -2.905 11.080 6.108 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.119 9.786 6.010 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.026 12.135 6.776 1.00 0.00 C ATOM 0 H LEU A 22 -5.616 11.660 5.656 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.500 13.594 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.893 10.756 4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.407 11.677 4.094 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.809 10.936 6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.833 9.457 7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.735 9.021 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.223 9.949 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.753 11.800 7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.123 12.284 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.574 13.075 6.844 1.00 0.00 H new ATOM 370 N ASN A 23 -3.503 14.049 2.778 1.00 0.00 N ATOM 371 CA ASN A 23 -3.697 14.538 1.424 1.00 0.00 C ATOM 372 C ASN A 23 -3.050 13.554 0.451 1.00 0.00 C ATOM 373 O ASN A 23 -2.200 12.753 0.850 1.00 0.00 O ATOM 374 CB ASN A 23 -3.128 15.966 1.285 1.00 0.00 C ATOM 375 CG ASN A 23 -1.748 15.971 0.635 1.00 0.00 C ATOM 376 OD1 ASN A 23 -0.757 15.612 1.269 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.633 16.361 -0.601 1.00 0.00 N ATOM 0 H ASN A 23 -2.624 14.331 3.211 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.759 14.602 1.189 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.811 16.572 0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.066 16.429 2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.717 16.370 -1.050 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.459 16.657 -1.121 1.00 0.00 H new ATOM 384 N GLY A 24 -3.478 13.597 -0.807 1.00 0.00 N ATOM 385 CA GLY A 24 -2.963 12.681 -1.825 1.00 0.00 C ATOM 386 C GLY A 24 -1.439 12.560 -1.785 1.00 0.00 C ATOM 387 O GLY A 24 -0.903 11.460 -1.898 1.00 0.00 O ATOM 0 H GLY A 24 -4.179 14.255 -1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.407 11.696 -1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.271 13.028 -2.811 1.00 0.00 H new ATOM 391 N VAL A 25 -0.750 13.689 -1.626 1.00 0.00 N ATOM 392 CA VAL A 25 0.711 13.684 -1.588 1.00 0.00 C ATOM 393 C VAL A 25 1.250 13.032 -0.322 1.00 0.00 C ATOM 394 O VAL A 25 2.180 12.237 -0.403 1.00 0.00 O ATOM 395 CB VAL A 25 1.249 15.109 -1.709 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.782 15.094 -1.619 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.827 15.675 -3.068 1.00 0.00 C ATOM 0 H VAL A 25 -1.175 14.610 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 25 1.054 13.091 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 25 0.850 15.725 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.162 16.112 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.086 14.674 -0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.188 14.485 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.203 16.693 -3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.238 15.054 -3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.261 15.682 -3.138 1.00 0.00 H new ATOM 407 N GLN A 26 0.684 13.366 0.843 1.00 0.00 N ATOM 408 CA GLN A 26 1.166 12.778 2.082 1.00 0.00 C ATOM 409 C GLN A 26 1.001 11.268 2.051 1.00 0.00 C ATOM 410 O GLN A 26 1.926 10.538 2.398 1.00 0.00 O ATOM 411 CB GLN A 26 0.432 13.382 3.278 1.00 0.00 C ATOM 412 CG GLN A 26 1.293 14.506 3.878 1.00 0.00 C ATOM 413 CD GLN A 26 0.400 15.584 4.458 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.291 15.312 5.511 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.328 16.694 3.932 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.088 14.024 0.947 1.00 0.00 H new ATOM 0 HA GLN A 26 2.228 13.002 2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.536 13.775 2.967 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.239 12.615 4.028 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.943 14.103 4.655 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.939 14.931 3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.879 16.900 3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.282 17.408 4.329 1.00 0.00 H new ATOM 424 N VAL A 27 -0.160 10.806 1.592 1.00 0.00 N ATOM 425 CA VAL A 27 -0.402 9.366 1.493 1.00 0.00 C ATOM 426 C VAL A 27 0.601 8.755 0.518 1.00 0.00 C ATOM 427 O VAL A 27 1.223 7.731 0.805 1.00 0.00 O ATOM 428 CB VAL A 27 -1.835 9.084 1.014 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.058 7.570 0.945 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.842 9.694 1.997 1.00 0.00 C ATOM 0 H VAL A 27 -0.936 11.394 1.287 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.279 8.919 2.479 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.976 9.526 0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.074 7.367 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.347 7.129 0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.912 7.135 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.856 9.491 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.699 9.254 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.687 10.771 2.054 1.00 0.00 H new ATOM 440 N LYS A 28 0.765 9.425 -0.621 1.00 0.00 N ATOM 441 CA LYS A 28 1.710 8.995 -1.646 1.00 0.00 C ATOM 442 C LYS A 28 3.136 9.015 -1.104 1.00 0.00 C ATOM 443 O LYS A 28 3.958 8.187 -1.483 1.00 0.00 O ATOM 444 CB LYS A 28 1.603 9.902 -2.887 1.00 0.00 C ATOM 445 CG LYS A 28 0.357 9.526 -3.705 1.00 0.00 C ATOM 446 CD LYS A 28 0.078 10.601 -4.772 1.00 0.00 C ATOM 447 CE LYS A 28 1.262 10.723 -5.742 1.00 0.00 C ATOM 448 NZ LYS A 28 1.708 9.367 -6.173 1.00 0.00 N ATOM 0 H LYS A 28 0.251 10.274 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 28 1.462 7.973 -1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.546 10.947 -2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.497 9.799 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.505 8.558 -4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.504 9.426 -3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.826 10.346 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.103 11.561 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.972 11.313 -6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.085 11.250 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.612 9.136 -5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.992 8.663 -5.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.832 9.354 -7.205 1.00 0.00 H new ATOM 462 N ALA A 29 3.414 9.980 -0.227 1.00 0.00 N ATOM 463 CA ALA A 29 4.733 10.127 0.366 1.00 0.00 C ATOM 464 C ALA A 29 5.004 9.018 1.344 1.00 0.00 C ATOM 465 O ALA A 29 6.088 8.439 1.354 1.00 0.00 O ATOM 466 CB ALA A 29 4.831 11.450 1.101 1.00 0.00 C ATOM 0 H ALA A 29 2.735 10.673 0.087 1.00 0.00 H new ATOM 0 HA ALA A 29 5.467 10.090 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.823 11.549 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.661 12.268 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.079 11.485 1.890 1.00 0.00 H new ATOM 472 N PHE A 30 4.002 8.714 2.159 1.00 0.00 N ATOM 473 CA PHE A 30 4.131 7.662 3.117 1.00 0.00 C ATOM 474 C PHE A 30 4.327 6.375 2.349 1.00 0.00 C ATOM 475 O PHE A 30 5.153 5.543 2.722 1.00 0.00 O ATOM 476 CB PHE A 30 2.898 7.607 4.018 1.00 0.00 C ATOM 477 CG PHE A 30 2.767 8.899 4.816 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.879 9.427 5.499 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.532 9.577 4.876 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.754 10.610 6.224 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.420 10.758 5.606 1.00 0.00 C ATOM 482 CZ PHE A 30 2.528 11.271 6.277 1.00 0.00 C ATOM 0 H PHE A 30 3.099 9.189 2.164 1.00 0.00 H new ATOM 0 HA PHE A 30 4.985 7.830 3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.004 7.453 3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.973 6.758 4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.829 8.915 5.461 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.673 9.180 4.356 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.608 11.016 6.746 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.474 11.276 5.652 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.436 12.187 6.842 1.00 0.00 H new ATOM 492 N ILE A 31 3.614 6.260 1.218 1.00 0.00 N ATOM 493 CA ILE A 31 3.775 5.107 0.357 1.00 0.00 C ATOM 494 C ILE A 31 5.184 5.105 -0.190 1.00 0.00 C ATOM 495 O ILE A 31 5.867 4.106 -0.131 1.00 0.00 O ATOM 496 CB ILE A 31 2.760 5.110 -0.811 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.407 4.570 -0.301 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.285 4.233 -1.983 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.344 4.645 -1.400 1.00 0.00 C ATOM 0 H ILE A 31 2.933 6.947 0.893 1.00 0.00 H new ATOM 0 HA ILE A 31 3.589 4.209 0.946 1.00 0.00 H new ATOM 0 HB ILE A 31 2.630 6.128 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.523 3.538 0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.083 5.147 0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.561 4.244 -2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.236 4.630 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.426 3.209 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.601 4.259 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.214 5.682 -1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.661 4.047 -2.255 1.00 0.00 H new ATOM 511 N ASP A 32 5.602 6.245 -0.718 1.00 0.00 N ATOM 512 CA ASP A 32 6.932 6.367 -1.301 1.00 0.00 C ATOM 513 C ASP A 32 8.008 5.993 -0.293 1.00 0.00 C ATOM 514 O ASP A 32 8.960 5.282 -0.617 1.00 0.00 O ATOM 515 CB ASP A 32 7.151 7.798 -1.804 1.00 0.00 C ATOM 516 CG ASP A 32 8.442 7.874 -2.618 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.389 7.591 -3.804 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.466 8.204 -2.040 1.00 0.00 O ATOM 0 H ASP A 32 5.043 7.097 -0.756 1.00 0.00 H new ATOM 0 HA ASP A 32 7.003 5.676 -2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.306 8.110 -2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.203 8.485 -0.959 1.00 0.00 H new ATOM 523 N SER A 33 7.821 6.454 0.926 1.00 0.00 N ATOM 524 CA SER A 33 8.742 6.159 2.016 1.00 0.00 C ATOM 525 C SER A 33 8.691 4.665 2.339 1.00 0.00 C ATOM 526 O SER A 33 9.708 4.039 2.631 1.00 0.00 O ATOM 527 CB SER A 33 8.351 6.988 3.236 1.00 0.00 C ATOM 528 OG SER A 33 8.481 8.369 2.926 1.00 0.00 O ATOM 0 H SER A 33 7.031 7.042 1.194 1.00 0.00 H new ATOM 0 HA SER A 33 9.761 6.415 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.325 6.764 3.529 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.987 6.732 4.083 1.00 0.00 H new ATOM 0 HG SER A 33 7.741 8.645 2.346 1.00 0.00 H new ATOM 534 N LEU A 34 7.483 4.115 2.245 1.00 0.00 N ATOM 535 CA LEU A 34 7.224 2.692 2.475 1.00 0.00 C ATOM 536 C LEU A 34 7.997 1.848 1.460 1.00 0.00 C ATOM 537 O LEU A 34 8.742 0.946 1.827 1.00 0.00 O ATOM 538 CB LEU A 34 5.722 2.474 2.290 1.00 0.00 C ATOM 539 CG LEU A 34 4.999 2.340 3.627 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.734 3.198 3.641 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.607 0.889 3.813 1.00 0.00 C ATOM 0 H LEU A 34 6.647 4.648 2.005 1.00 0.00 H new ATOM 0 HA LEU A 34 7.543 2.398 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.300 3.309 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.556 1.576 1.695 1.00 0.00 H new ATOM 0 HG LEU A 34 5.659 2.673 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.232 3.090 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.002 4.243 3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.065 2.874 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.088 0.771 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.948 0.583 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.502 0.267 3.809 1.00 0.00 H new ATOM 553 N ARG A 35 7.819 2.166 0.184 1.00 0.00 N ATOM 554 CA ARG A 35 8.523 1.439 -0.895 1.00 0.00 C ATOM 555 C ARG A 35 10.031 1.635 -0.752 1.00 0.00 C ATOM 556 O ARG A 35 10.806 0.681 -0.847 1.00 0.00 O ATOM 557 CB ARG A 35 8.102 1.930 -2.300 1.00 0.00 C ATOM 558 CG ARG A 35 6.897 2.866 -2.198 1.00 0.00 C ATOM 559 CD ARG A 35 6.281 3.221 -3.559 1.00 0.00 C ATOM 560 NE ARG A 35 7.035 2.647 -4.656 1.00 0.00 N ATOM 561 CZ ARG A 35 6.697 1.488 -5.199 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.094 0.588 -4.479 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.965 1.255 -6.445 1.00 0.00 N ATOM 0 H ARG A 35 7.203 2.912 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 35 8.254 0.387 -0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.934 2.449 -2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.855 1.077 -2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.135 2.398 -1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.201 3.784 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.253 2.862 -3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.245 4.305 -3.670 1.00 0.00 H new ATOM 0 HE ARG A 35 7.846 3.148 -5.018 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.883 0.776 -3.499 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.832 -0.306 -4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.436 1.964 -7.007 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.705 0.362 -6.864 1.00 0.00 H new ATOM 577 N ASP A 36 10.424 2.888 -0.510 1.00 0.00 N ATOM 578 CA ASP A 36 11.831 3.243 -0.336 1.00 0.00 C ATOM 579 C ASP A 36 12.412 2.506 0.862 1.00 0.00 C ATOM 580 O ASP A 36 13.580 2.113 0.864 1.00 0.00 O ATOM 581 CB ASP A 36 11.962 4.749 -0.126 1.00 0.00 C ATOM 582 CG ASP A 36 13.434 5.160 -0.132 1.00 0.00 C ATOM 583 OD1 ASP A 36 13.966 5.374 -1.210 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.009 5.251 0.941 1.00 0.00 O ATOM 0 H ASP A 36 9.782 3.676 -0.430 1.00 0.00 H new ATOM 0 HA ASP A 36 12.381 2.954 -1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.426 5.281 -0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.502 5.032 0.821 1.00 0.00 H new ATOM 589 N ASP A 37 11.567 2.323 1.871 1.00 0.00 N ATOM 590 CA ASP A 37 11.961 1.627 3.088 1.00 0.00 C ATOM 591 C ASP A 37 10.745 0.982 3.736 1.00 0.00 C ATOM 592 O ASP A 37 10.001 1.629 4.481 1.00 0.00 O ATOM 593 CB ASP A 37 12.648 2.587 4.073 1.00 0.00 C ATOM 594 CG ASP A 37 13.422 1.797 5.134 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.831 0.923 5.755 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.595 2.077 5.314 1.00 0.00 O ATOM 0 H ASP A 37 10.601 2.649 1.868 1.00 0.00 H new ATOM 0 HA ASP A 37 12.676 0.848 2.823 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.327 3.247 3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.903 3.221 4.554 1.00 0.00 H new ATOM 601 N PRO A 38 10.524 -0.277 3.449 1.00 0.00 N ATOM 602 CA PRO A 38 9.369 -1.027 3.994 1.00 0.00 C ATOM 603 C PRO A 38 9.472 -1.284 5.489 1.00 0.00 C ATOM 604 O PRO A 38 8.461 -1.341 6.184 1.00 0.00 O ATOM 605 CB PRO A 38 9.348 -2.333 3.213 1.00 0.00 C ATOM 606 CG PRO A 38 10.473 -2.301 2.230 1.00 0.00 C ATOM 607 CD PRO A 38 11.360 -1.117 2.578 1.00 0.00 C ATOM 0 HA PRO A 38 8.449 -0.453 3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.455 -3.182 3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.395 -2.454 2.698 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.042 -3.230 2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.090 -2.206 1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.268 -1.437 3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.670 -0.577 1.684 1.00 0.00 H new ATOM 615 N SER A 39 10.695 -1.420 5.983 1.00 0.00 N ATOM 616 CA SER A 39 10.906 -1.641 7.406 1.00 0.00 C ATOM 617 C SER A 39 10.389 -0.422 8.165 1.00 0.00 C ATOM 618 O SER A 39 9.957 -0.517 9.316 1.00 0.00 O ATOM 619 CB SER A 39 12.394 -1.849 7.699 1.00 0.00 C ATOM 620 OG SER A 39 12.902 -2.866 6.844 1.00 0.00 O ATOM 0 H SER A 39 11.548 -1.382 5.425 1.00 0.00 H new ATOM 0 HA SER A 39 10.370 -2.535 7.723 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.941 -0.919 7.543 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.535 -2.130 8.742 1.00 0.00 H new ATOM 0 HG SER A 39 13.855 -3.001 7.027 1.00 0.00 H new ATOM 626 N GLN A 40 10.447 0.723 7.482 1.00 0.00 N ATOM 627 CA GLN A 40 10.001 1.994 8.036 1.00 0.00 C ATOM 628 C GLN A 40 8.485 2.189 7.862 1.00 0.00 C ATOM 629 O GLN A 40 7.944 3.206 8.257 1.00 0.00 O ATOM 630 CB GLN A 40 10.746 3.133 7.319 1.00 0.00 C ATOM 631 CG GLN A 40 10.980 4.314 8.272 1.00 0.00 C ATOM 632 CD GLN A 40 10.472 5.609 7.644 1.00 0.00 C ATOM 633 OE1 GLN A 40 9.717 6.351 8.272 1.00 0.00 O ATOM 634 NE2 GLN A 40 10.843 5.923 6.435 1.00 0.00 N ATOM 0 H GLN A 40 10.805 0.791 6.529 1.00 0.00 H new ATOM 0 HA GLN A 40 10.218 2.000 9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.702 2.768 6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.169 3.465 6.456 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.468 4.135 9.217 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.043 4.403 8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.469 5.306 5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.508 6.786 6.007 1.00 0.00 H new ATOM 643 N SER A 41 7.816 1.224 7.242 1.00 0.00 N ATOM 644 CA SER A 41 6.372 1.320 6.977 1.00 0.00 C ATOM 645 C SER A 41 5.552 1.684 8.217 1.00 0.00 C ATOM 646 O SER A 41 4.597 2.459 8.129 1.00 0.00 O ATOM 647 CB SER A 41 5.885 -0.035 6.467 1.00 0.00 C ATOM 648 OG SER A 41 6.032 -1.010 7.493 1.00 0.00 O ATOM 0 H SER A 41 8.246 0.361 6.910 1.00 0.00 H new ATOM 0 HA SER A 41 6.231 2.116 6.246 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.841 0.033 6.163 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.455 -0.330 5.586 1.00 0.00 H new ATOM 0 HG SER A 41 6.894 -1.466 7.390 1.00 0.00 H new ATOM 654 N ALA A 42 5.929 1.129 9.359 1.00 0.00 N ATOM 655 CA ALA A 42 5.235 1.390 10.614 1.00 0.00 C ATOM 656 C ALA A 42 5.374 2.847 10.999 1.00 0.00 C ATOM 657 O ALA A 42 4.451 3.470 11.522 1.00 0.00 O ATOM 658 CB ALA A 42 5.881 0.560 11.709 1.00 0.00 C ATOM 0 H ALA A 42 6.719 0.489 9.444 1.00 0.00 H new ATOM 0 HA ALA A 42 4.181 1.139 10.492 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.371 0.745 12.655 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.805 -0.498 11.457 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.931 0.836 11.803 1.00 0.00 H new ATOM 664 N ASN A 43 6.561 3.354 10.740 1.00 0.00 N ATOM 665 CA ASN A 43 6.913 4.717 11.044 1.00 0.00 C ATOM 666 C ASN A 43 6.139 5.691 10.170 1.00 0.00 C ATOM 667 O ASN A 43 5.779 6.781 10.590 1.00 0.00 O ATOM 668 CB ASN A 43 8.403 4.866 10.795 1.00 0.00 C ATOM 669 CG ASN A 43 9.194 4.462 12.036 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.177 5.169 13.043 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.889 3.359 12.022 1.00 0.00 N ATOM 0 H ASN A 43 7.315 2.821 10.307 1.00 0.00 H new ATOM 0 HA ASN A 43 6.664 4.944 12.081 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.700 4.246 9.949 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.632 5.898 10.530 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.420 3.080 12.847 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.901 2.775 11.186 1.00 0.00 H new ATOM 678 N LEU A 44 5.909 5.267 8.947 1.00 0.00 N ATOM 679 CA LEU A 44 5.195 6.048 7.948 1.00 0.00 C ATOM 680 C LEU A 44 3.744 6.052 8.283 1.00 0.00 C ATOM 681 O LEU A 44 3.053 7.063 8.174 1.00 0.00 O ATOM 682 CB LEU A 44 5.487 5.405 6.606 1.00 0.00 C ATOM 683 CG LEU A 44 7.008 5.404 6.486 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.481 4.474 5.389 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.450 6.828 6.248 1.00 0.00 C ATOM 0 H LEU A 44 6.216 4.355 8.608 1.00 0.00 H new ATOM 0 HA LEU A 44 5.512 7.091 7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.088 4.392 6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.028 5.966 5.792 1.00 0.00 H new ATOM 0 HG LEU A 44 7.456 5.027 7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.569 4.500 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.153 3.458 5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.062 4.794 4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.536 6.862 6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.998 7.201 5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.136 7.451 7.085 1.00 0.00 H new ATOM 697 N LEU A 45 3.334 4.916 8.774 1.00 0.00 N ATOM 698 CA LEU A 45 1.986 4.742 9.256 1.00 0.00 C ATOM 699 C LEU A 45 1.827 5.648 10.469 1.00 0.00 C ATOM 700 O LEU A 45 0.801 6.291 10.665 1.00 0.00 O ATOM 701 CB LEU A 45 1.767 3.270 9.630 1.00 0.00 C ATOM 702 CG LEU A 45 0.519 3.115 10.508 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.708 3.680 9.784 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.317 1.630 10.813 1.00 0.00 C ATOM 0 H LEU A 45 3.920 4.085 8.853 1.00 0.00 H new ATOM 0 HA LEU A 45 1.248 5.003 8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.658 2.672 8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.640 2.890 10.160 1.00 0.00 H new ATOM 0 HG LEU A 45 0.650 3.667 11.439 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.588 3.565 10.416 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.550 4.737 9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.859 3.140 8.849 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.568 1.504 11.437 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.184 1.082 9.880 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.190 1.245 11.339 1.00 0.00 H new ATOM 716 N ALA A 46 2.895 5.707 11.250 1.00 0.00 N ATOM 717 CA ALA A 46 2.944 6.541 12.436 1.00 0.00 C ATOM 718 C ALA A 46 2.876 7.998 12.040 1.00 0.00 C ATOM 719 O ALA A 46 2.126 8.790 12.614 1.00 0.00 O ATOM 720 CB ALA A 46 4.259 6.312 13.174 1.00 0.00 C ATOM 0 H ALA A 46 3.750 5.178 11.078 1.00 0.00 H new ATOM 0 HA ALA A 46 2.101 6.284 13.077 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.291 6.941 14.064 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.334 5.265 13.467 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.093 6.567 12.520 1.00 0.00 H new ATOM 726 N GLU A 47 3.669 8.321 11.033 1.00 0.00 N ATOM 727 CA GLU A 47 3.738 9.652 10.498 1.00 0.00 C ATOM 728 C GLU A 47 2.407 10.034 9.914 1.00 0.00 C ATOM 729 O GLU A 47 1.971 11.167 10.020 1.00 0.00 O ATOM 730 CB GLU A 47 4.772 9.675 9.384 1.00 0.00 C ATOM 731 CG GLU A 47 6.192 9.795 9.929 1.00 0.00 C ATOM 732 CD GLU A 47 6.333 11.034 10.821 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.064 12.124 10.339 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.694 10.872 11.974 1.00 0.00 O ATOM 0 H GLU A 47 4.284 7.655 10.566 1.00 0.00 H new ATOM 0 HA GLU A 47 4.007 10.349 11.292 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.687 8.765 8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.568 10.512 8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.444 8.901 10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.899 9.855 9.102 1.00 0.00 H new ATOM 741 N ALA A 48 1.773 9.062 9.292 1.00 0.00 N ATOM 742 CA ALA A 48 0.498 9.271 8.679 1.00 0.00 C ATOM 743 C ALA A 48 -0.547 9.507 9.743 1.00 0.00 C ATOM 744 O ALA A 48 -1.326 10.443 9.648 1.00 0.00 O ATOM 745 CB ALA A 48 0.175 8.046 7.866 1.00 0.00 C ATOM 0 H ALA A 48 2.133 8.112 9.203 1.00 0.00 H new ATOM 0 HA ALA A 48 0.514 10.148 8.032 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.794 8.174 7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.942 7.902 7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.143 7.174 8.519 1.00 0.00 H new ATOM 751 N LYS A 49 -0.523 8.677 10.781 1.00 0.00 N ATOM 752 CA LYS A 49 -1.445 8.842 11.893 1.00 0.00 C ATOM 753 C LYS A 49 -1.204 10.207 12.516 1.00 0.00 C ATOM 754 O LYS A 49 -2.129 10.842 13.018 1.00 0.00 O ATOM 755 CB LYS A 49 -1.241 7.731 12.934 1.00 0.00 C ATOM 756 CG LYS A 49 -1.679 6.377 12.349 1.00 0.00 C ATOM 757 CD LYS A 49 -3.210 6.244 12.393 1.00 0.00 C ATOM 758 CE LYS A 49 -3.645 4.977 11.645 1.00 0.00 C ATOM 759 NZ LYS A 49 -3.017 3.778 12.274 1.00 0.00 N ATOM 0 H LYS A 49 0.120 7.891 10.873 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.472 8.774 11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.193 7.687 13.231 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.817 7.952 13.832 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.329 6.288 11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.221 5.565 12.913 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.551 6.201 13.428 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.673 7.121 11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.731 4.885 11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.353 5.044 10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.367 2.917 11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.984 3.832 12.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.262 3.748 13.284 1.00 0.00 H new ATOM 773 N LYS A 50 0.055 10.658 12.450 1.00 0.00 N ATOM 774 CA LYS A 50 0.427 11.948 12.978 1.00 0.00 C ATOM 775 C LYS A 50 -0.058 13.056 12.064 1.00 0.00 C ATOM 776 O LYS A 50 -0.578 14.075 12.522 1.00 0.00 O ATOM 777 CB LYS A 50 1.948 12.010 13.143 1.00 0.00 C ATOM 778 CG LYS A 50 2.358 13.284 13.890 1.00 0.00 C ATOM 779 CD LYS A 50 3.878 13.283 14.092 1.00 0.00 C ATOM 780 CE LYS A 50 4.582 13.683 12.790 1.00 0.00 C ATOM 781 NZ LYS A 50 6.054 13.512 12.949 1.00 0.00 N ATOM 0 H LYS A 50 0.825 10.136 12.032 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.043 12.087 13.952 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.296 11.134 13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.427 11.986 12.164 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.055 14.165 13.324 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.851 13.334 14.854 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.147 13.977 14.888 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.211 12.293 14.405 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.221 13.069 11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.350 14.719 12.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.548 14.039 12.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.347 13.874 13.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.296 12.503 12.878 1.00 0.00 H new ATOM 795 N LEU A 51 0.116 12.838 10.767 1.00 0.00 N ATOM 796 CA LEU A 51 -0.303 13.809 9.775 1.00 0.00 C ATOM 797 C LEU A 51 -1.813 13.863 9.731 1.00 0.00 C ATOM 798 O LEU A 51 -2.410 14.936 9.679 1.00 0.00 O ATOM 799 CB LEU A 51 0.254 13.451 8.389 1.00 0.00 C ATOM 800 CG LEU A 51 1.571 14.195 8.110 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.387 15.705 8.314 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.681 13.670 9.032 1.00 0.00 C ATOM 0 H LEU A 51 0.545 11.997 10.381 1.00 0.00 H new ATOM 0 HA LEU A 51 0.089 14.787 10.054 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.421 12.376 8.328 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.479 13.704 7.623 1.00 0.00 H new ATOM 0 HG LEU A 51 1.858 14.016 7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.328 16.217 8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.620 16.074 7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.082 15.899 9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.609 14.204 8.825 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.395 13.828 10.072 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.828 12.605 8.854 1.00 0.00 H new ATOM 814 N ASN A 52 -2.416 12.683 9.775 1.00 0.00 N ATOM 815 CA ASN A 52 -3.849 12.558 9.770 1.00 0.00 C ATOM 816 C ASN A 52 -4.411 13.239 10.997 1.00 0.00 C ATOM 817 O ASN A 52 -5.370 13.995 10.910 1.00 0.00 O ATOM 818 CB ASN A 52 -4.226 11.084 9.796 1.00 0.00 C ATOM 819 CG ASN A 52 -5.735 10.927 9.816 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.354 10.861 8.766 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.363 10.865 10.957 1.00 0.00 N ATOM 0 H ASN A 52 -1.918 11.793 9.815 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.255 13.023 8.872 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.813 10.580 8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.792 10.606 10.674 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.377 10.761 10.976 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.840 10.921 11.831 1.00 0.00 H new ATOM 828 N ASP A 53 -3.785 12.965 12.143 1.00 0.00 N ATOM 829 CA ASP A 53 -4.219 13.561 13.390 1.00 0.00 C ATOM 830 C ASP A 53 -4.057 15.072 13.328 1.00 0.00 C ATOM 831 O ASP A 53 -4.943 15.822 13.739 1.00 0.00 O ATOM 832 CB ASP A 53 -3.429 12.992 14.570 1.00 0.00 C ATOM 833 CG ASP A 53 -3.840 13.688 15.867 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.893 13.359 16.388 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.099 14.548 16.316 1.00 0.00 O ATOM 0 H ASP A 53 -2.984 12.339 12.225 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.272 13.321 13.539 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.607 11.920 14.652 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.361 13.126 14.400 1.00 0.00 H new ATOM 840 N ALA A 54 -2.919 15.504 12.786 1.00 0.00 N ATOM 841 CA ALA A 54 -2.635 16.920 12.640 1.00 0.00 C ATOM 842 C ALA A 54 -3.681 17.556 11.731 1.00 0.00 C ATOM 843 O ALA A 54 -4.128 18.680 11.969 1.00 0.00 O ATOM 844 CB ALA A 54 -1.239 17.102 12.042 1.00 0.00 C ATOM 0 H ALA A 54 -2.182 14.888 12.442 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.669 17.404 13.616 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.026 18.165 11.932 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.499 16.650 12.702 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.196 16.621 11.065 1.00 0.00 H new ATOM 850 N GLN A 55 -4.075 16.808 10.698 1.00 0.00 N ATOM 851 CA GLN A 55 -5.081 17.269 9.749 1.00 0.00 C ATOM 852 C GLN A 55 -6.492 16.919 10.237 1.00 0.00 C ATOM 853 O GLN A 55 -7.483 17.272 9.593 1.00 0.00 O ATOM 854 CB GLN A 55 -4.811 16.618 8.393 1.00 0.00 C ATOM 855 CG GLN A 55 -3.553 17.237 7.772 1.00 0.00 C ATOM 856 CD GLN A 55 -3.086 16.393 6.597 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.619 15.201 6.822 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.149 16.826 5.446 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.709 15.877 10.500 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.021 18.354 9.657 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.679 15.543 8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.665 16.762 7.731 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.764 18.254 7.440 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.763 17.303 8.520 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.516 17.762 5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.834 16.249 4.666 1.00 0.00 H new ATOM 867 N ALA A 56 -6.569 16.228 11.378 1.00 0.00 N ATOM 868 CA ALA A 56 -7.854 15.829 11.957 1.00 0.00 C ATOM 869 C ALA A 56 -8.343 16.873 12.951 1.00 0.00 C ATOM 870 O ALA A 56 -7.576 17.732 13.392 1.00 0.00 O ATOM 871 CB ALA A 56 -7.730 14.471 12.661 1.00 0.00 C ATOM 0 H ALA A 56 -5.756 15.933 11.919 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.576 15.746 11.145 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.695 14.191 13.085 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.417 13.715 11.941 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.990 14.541 13.458 1.00 0.00 H new ATOM 877 N PRO A 57 -9.606 16.815 13.304 1.00 0.00 N ATOM 878 CA PRO A 57 -10.240 17.760 14.250 1.00 0.00 C ATOM 879 C PRO A 57 -10.013 17.336 15.699 1.00 0.00 C ATOM 880 O PRO A 57 -9.496 16.248 15.965 1.00 0.00 O ATOM 881 CB PRO A 57 -11.733 17.688 13.869 1.00 0.00 C ATOM 882 CG PRO A 57 -11.834 16.710 12.743 1.00 0.00 C ATOM 883 CD PRO A 57 -10.605 15.843 12.860 1.00 0.00 C ATOM 0 HA PRO A 57 -9.831 18.768 14.184 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.336 17.366 14.718 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.105 18.667 13.567 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.744 16.115 12.819 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.866 17.220 11.780 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.740 15.035 13.579 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.336 15.382 11.910 1.00 0.00 H new ATOM 891 N LYS A 58 -10.408 18.204 16.622 1.00 0.00 N ATOM 892 CA LYS A 58 -10.257 17.938 18.053 1.00 0.00 C ATOM 893 C LYS A 58 -11.358 18.642 18.849 1.00 0.00 C ATOM 894 O LYS A 58 -11.903 18.022 19.748 1.00 0.00 O ATOM 895 CB LYS A 58 -8.885 18.415 18.535 1.00 0.00 C ATOM 896 CG LYS A 58 -7.837 17.295 18.381 1.00 0.00 C ATOM 897 CD LYS A 58 -6.875 17.630 17.230 1.00 0.00 C ATOM 898 CE LYS A 58 -6.019 16.404 16.892 1.00 0.00 C ATOM 899 NZ LYS A 58 -4.773 16.844 16.204 1.00 0.00 N ATOM 900 OXT LYS A 58 -11.640 19.792 18.549 1.00 0.00 O ATOM 0 H LYS A 58 -10.838 19.104 16.407 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.340 16.863 18.214 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.577 19.290 17.963 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.947 18.722 19.579 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.279 17.178 19.310 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.334 16.345 18.186 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.440 17.943 16.352 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.234 18.465 17.512 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.771 15.858 17.802 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.579 15.721 16.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.009 16.167 16.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.939 16.887 15.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.500 17.786 16.550 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -16.769 -4.130 -4.332 1.00 0.00 N ATOM 916 CA VAL B 1 -17.201 -4.473 -2.944 1.00 0.00 C ATOM 917 C VAL B 1 -16.002 -5.019 -2.167 1.00 0.00 C ATOM 918 O VAL B 1 -14.867 -4.912 -2.625 1.00 0.00 O ATOM 919 CB VAL B 1 -18.331 -5.521 -2.998 1.00 0.00 C ATOM 920 CG1 VAL B 1 -19.534 -4.950 -3.761 1.00 0.00 C ATOM 921 CG2 VAL B 1 -17.840 -6.797 -3.704 1.00 0.00 C ATOM 0 H1 VAL B 1 -17.083 -3.167 -4.565 1.00 0.00 H new ATOM 0 H2 VAL B 1 -15.732 -4.181 -4.395 1.00 0.00 H new ATOM 0 H3 VAL B 1 -17.190 -4.804 -5.003 1.00 0.00 H new ATOM 0 HA VAL B 1 -17.577 -3.582 -2.440 1.00 0.00 H new ATOM 0 HB VAL B 1 -18.628 -5.767 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -20.329 -5.695 -3.796 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -19.896 -4.056 -3.253 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -19.232 -4.693 -4.776 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -18.647 -7.529 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -17.530 -6.554 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -16.994 -7.213 -3.157 1.00 0.00 H new ATOM 933 N ASP B 2 -16.264 -5.609 -0.995 1.00 0.00 N ATOM 934 CA ASP B 2 -15.197 -6.180 -0.171 1.00 0.00 C ATOM 935 C ASP B 2 -15.308 -7.705 -0.134 1.00 0.00 C ATOM 936 O ASP B 2 -16.262 -8.280 -0.665 1.00 0.00 O ATOM 937 CB ASP B 2 -15.244 -5.608 1.254 1.00 0.00 C ATOM 938 CG ASP B 2 -13.820 -5.487 1.805 1.00 0.00 C ATOM 939 OD1 ASP B 2 -13.202 -4.457 1.580 1.00 0.00 O ATOM 940 OD2 ASP B 2 -13.362 -6.430 2.431 1.00 0.00 O ATOM 0 H ASP B 2 -17.200 -5.702 -0.599 1.00 0.00 H new ATOM 0 HA ASP B 2 -14.240 -5.910 -0.618 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -15.727 -4.631 1.249 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -15.840 -6.255 1.897 1.00 0.00 H new ATOM 945 N ASN B 3 -14.318 -8.352 0.483 1.00 0.00 N ATOM 946 CA ASN B 3 -14.287 -9.805 0.581 1.00 0.00 C ATOM 947 C ASN B 3 -13.408 -10.250 1.754 1.00 0.00 C ATOM 948 O ASN B 3 -12.745 -9.428 2.393 1.00 0.00 O ATOM 949 CB ASN B 3 -13.753 -10.395 -0.737 1.00 0.00 C ATOM 950 CG ASN B 3 -14.096 -11.882 -0.866 1.00 0.00 C ATOM 951 OD1 ASN B 3 -14.929 -12.407 -0.125 1.00 0.00 O ATOM 952 ND2 ASN B 3 -13.498 -12.597 -1.778 1.00 0.00 N ATOM 0 H ASN B 3 -13.525 -7.886 0.923 1.00 0.00 H new ATOM 0 HA ASN B 3 -15.299 -10.169 0.758 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -14.177 -9.848 -1.580 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.672 -10.265 -0.784 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -13.720 -13.588 -1.876 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -12.808 -12.166 -2.393 1.00 0.00 H new ATOM 959 N LYS B 4 -13.404 -11.560 2.021 1.00 0.00 N ATOM 960 CA LYS B 4 -12.606 -12.127 3.114 1.00 0.00 C ATOM 961 C LYS B 4 -11.107 -11.988 2.836 1.00 0.00 C ATOM 962 O LYS B 4 -10.276 -12.271 3.703 1.00 0.00 O ATOM 963 CB LYS B 4 -12.963 -13.609 3.320 1.00 0.00 C ATOM 964 CG LYS B 4 -12.898 -14.369 1.980 1.00 0.00 C ATOM 965 CD LYS B 4 -11.972 -15.591 2.098 1.00 0.00 C ATOM 966 CE LYS B 4 -10.497 -15.162 2.043 1.00 0.00 C ATOM 967 NZ LYS B 4 -9.959 -15.035 3.427 1.00 0.00 N ATOM 0 H LYS B 4 -13.944 -12.248 1.496 1.00 0.00 H new ATOM 0 HA LYS B 4 -12.839 -11.570 4.022 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -12.274 -14.060 4.035 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -13.963 -13.693 3.745 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -13.898 -14.690 1.688 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -12.535 -13.705 1.196 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -12.169 -16.114 3.034 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -12.182 -16.292 1.291 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.916 -15.894 1.482 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -10.404 -14.211 1.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -9.024 -15.487 3.479 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -9.872 -14.029 3.675 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.606 -15.501 4.095 1.00 0.00 H new ATOM 981 N PHE B 5 -10.779 -11.555 1.622 1.00 0.00 N ATOM 982 CA PHE B 5 -9.403 -11.373 1.197 1.00 0.00 C ATOM 983 C PHE B 5 -8.722 -10.218 1.923 1.00 0.00 C ATOM 984 O PHE B 5 -7.681 -9.770 1.489 1.00 0.00 O ATOM 985 CB PHE B 5 -9.375 -11.132 -0.318 1.00 0.00 C ATOM 986 CG PHE B 5 -9.508 -12.456 -1.020 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.668 -13.215 -0.843 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.470 -12.933 -1.826 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.792 -14.453 -1.475 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.592 -14.173 -2.456 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.752 -14.934 -2.281 1.00 0.00 C ATOM 0 H PHE B 5 -11.466 -11.321 0.906 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.849 -12.278 1.447 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.187 -10.466 -0.610 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.444 -10.644 -0.606 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.467 -12.844 -0.218 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.575 -12.343 -1.961 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.689 -15.040 -1.343 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.791 -14.544 -3.078 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.846 -15.894 -2.768 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.292 -9.750 3.033 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.670 -8.658 3.792 1.00 0.00 C ATOM 1003 C ASN B 6 -7.228 -9.034 4.126 1.00 0.00 C ATOM 1004 O ASN B 6 -6.310 -8.257 3.878 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.465 -8.400 5.079 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.839 -7.260 5.884 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -8.904 -7.261 7.112 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -8.231 -6.287 5.266 1.00 0.00 N ATOM 0 H ASN B 6 -10.167 -10.100 3.424 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.673 -7.747 3.193 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.497 -8.152 4.831 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -9.491 -9.307 5.684 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.810 -5.527 5.801 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -8.176 -6.285 4.247 1.00 0.00 H new ATOM 1015 N LYS B 7 -7.046 -10.252 4.630 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.714 -10.767 4.945 1.00 0.00 C ATOM 1017 C LYS B 7 -4.876 -10.842 3.670 1.00 0.00 C ATOM 1018 O LYS B 7 -3.705 -10.460 3.648 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.857 -12.172 5.555 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.480 -12.810 5.788 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.665 -14.261 6.260 1.00 0.00 C ATOM 1022 CE LYS B 7 -3.309 -14.973 6.315 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.833 -15.242 4.927 1.00 0.00 N ATOM 0 H LYS B 7 -7.805 -10.903 4.830 1.00 0.00 H new ATOM 0 HA LYS B 7 -5.219 -10.104 5.655 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.398 -12.110 6.499 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.447 -12.803 4.891 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.895 -12.786 4.868 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.924 -12.241 6.534 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -5.132 -14.275 7.245 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -5.335 -14.790 5.582 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.584 -14.357 6.847 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -3.399 -15.908 6.868 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -2.599 -16.251 4.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.581 -14.993 4.249 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.986 -14.670 4.734 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.510 -11.353 2.619 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.876 -11.518 1.315 1.00 0.00 C ATOM 1039 C GLU B 8 -4.559 -10.167 0.667 1.00 0.00 C ATOM 1040 O GLU B 8 -3.570 -10.025 -0.057 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.833 -12.312 0.401 1.00 0.00 C ATOM 1042 CG GLU B 8 -6.149 -13.688 1.019 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.866 -14.402 1.460 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -4.036 -14.673 0.609 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.729 -14.650 2.650 1.00 0.00 O ATOM 0 H GLU B 8 -6.481 -11.665 2.648 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.935 -12.052 1.450 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.756 -11.751 0.256 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.382 -12.443 -0.582 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.812 -13.562 1.875 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.680 -14.303 0.293 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.425 -9.194 0.925 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.295 -7.860 0.375 1.00 0.00 C ATOM 1054 C ARG B 9 -4.058 -7.169 0.930 1.00 0.00 C ATOM 1055 O ARG B 9 -3.336 -6.500 0.204 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.533 -7.035 0.757 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.582 -5.739 -0.063 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.379 -4.664 0.687 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.615 -5.216 1.228 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.723 -4.487 1.327 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -10.137 -3.779 0.312 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -10.399 -4.485 2.439 1.00 0.00 N ATOM 0 H ARG B 9 -6.240 -9.314 1.526 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.205 -7.937 -0.709 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.436 -7.619 0.581 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.508 -6.800 1.821 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.570 -5.383 -0.254 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -7.041 -5.931 -1.033 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -6.774 -4.255 1.496 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -7.609 -3.839 0.013 1.00 0.00 H new ATOM 0 HE ARG B 9 -8.631 -6.187 1.539 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.610 -3.783 -0.562 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.987 -3.221 0.392 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -10.079 -5.041 3.232 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -11.249 -3.927 2.518 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.838 -7.333 2.236 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.714 -6.693 2.918 1.00 0.00 C ATOM 1078 C VAL B 10 -1.390 -7.084 2.276 1.00 0.00 C ATOM 1079 O VAL B 10 -0.489 -6.254 2.146 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.698 -7.090 4.405 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.639 -6.270 5.148 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -4.092 -6.889 5.039 1.00 0.00 C ATOM 0 H VAL B 10 -4.425 -7.905 2.843 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.840 -5.614 2.830 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.444 -8.147 4.486 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.631 -6.554 6.200 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.658 -6.462 4.713 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.873 -5.209 5.060 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -4.058 -7.176 6.090 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.381 -5.841 4.958 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.822 -7.508 4.517 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.279 -8.341 1.872 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.060 -8.821 1.239 1.00 0.00 C ATOM 1094 C ILE B 11 0.108 -8.183 -0.138 1.00 0.00 C ATOM 1095 O ILE B 11 1.217 -7.807 -0.514 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.094 -10.347 1.137 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.356 -10.919 2.552 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.250 -10.853 0.576 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.416 -12.229 2.776 1.00 0.00 C ATOM 0 H ILE B 11 -2.013 -9.043 1.970 1.00 0.00 H new ATOM 0 HA ILE B 11 0.797 -8.535 1.849 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.886 -10.675 0.463 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.060 -10.187 3.303 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.423 -11.096 2.683 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.227 -11.940 0.503 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.415 -10.426 -0.413 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.059 -10.551 1.241 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.211 -12.605 3.778 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.100 -12.968 2.039 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.485 -12.044 2.669 1.00 0.00 H new ATOM 1111 N ALA B 12 -1.001 -8.040 -0.868 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.972 -7.418 -2.185 1.00 0.00 C ATOM 1113 C ALA B 12 -0.608 -5.968 -2.052 1.00 0.00 C ATOM 1114 O ALA B 12 0.245 -5.493 -2.784 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.336 -7.528 -2.841 1.00 0.00 C ATOM 0 H ALA B 12 -1.926 -8.347 -0.566 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.231 -7.929 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.305 -7.060 -3.825 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.605 -8.579 -2.947 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.079 -7.024 -2.223 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.222 -5.288 -1.081 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.919 -3.884 -0.847 1.00 0.00 C ATOM 1123 C ILE B 13 0.571 -3.791 -0.604 1.00 0.00 C ATOM 1124 O ILE B 13 1.232 -2.901 -1.103 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.685 -3.374 0.391 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -3.190 -3.489 0.167 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.368 -1.903 0.660 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.911 -3.306 1.486 1.00 0.00 C ATOM 0 H ILE B 13 -1.922 -5.685 -0.454 1.00 0.00 H new ATOM 0 HA ILE B 13 -1.217 -3.275 -1.700 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.375 -3.984 1.239 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.521 -2.736 -0.548 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.432 -4.462 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.920 -1.566 1.538 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.299 -1.788 0.838 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.659 -1.304 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.986 -3.388 1.327 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.588 -4.076 2.187 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.678 -2.323 1.894 1.00 0.00 H new ATOM 1140 N GLY B 14 1.083 -4.766 0.131 1.00 0.00 N ATOM 1141 CA GLY B 14 2.506 -4.844 0.419 1.00 0.00 C ATOM 1142 C GLY B 14 3.308 -5.137 -0.833 1.00 0.00 C ATOM 1143 O GLY B 14 4.371 -4.565 -1.045 1.00 0.00 O ATOM 0 H GLY B 14 0.530 -5.519 0.541 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.842 -3.904 0.857 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.687 -5.623 1.159 1.00 0.00 H new ATOM 1147 N GLU B 15 2.799 -6.048 -1.654 1.00 0.00 N ATOM 1148 CA GLU B 15 3.491 -6.442 -2.860 1.00 0.00 C ATOM 1149 C GLU B 15 3.605 -5.272 -3.801 1.00 0.00 C ATOM 1150 O GLU B 15 4.655 -5.078 -4.404 1.00 0.00 O ATOM 1151 CB GLU B 15 2.753 -7.601 -3.519 1.00 0.00 C ATOM 1152 CG GLU B 15 3.670 -8.327 -4.531 1.00 0.00 C ATOM 1153 CD GLU B 15 4.977 -8.780 -3.862 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.913 -9.323 -2.768 1.00 0.00 O ATOM 1155 OE2 GLU B 15 6.022 -8.583 -4.460 1.00 0.00 O ATOM 0 H GLU B 15 1.910 -6.523 -1.501 1.00 0.00 H new ATOM 0 HA GLU B 15 4.499 -6.770 -2.607 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.415 -8.304 -2.757 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.863 -7.230 -4.028 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.150 -9.191 -4.944 1.00 0.00 H new ATOM 0 HG3 GLU B 15 3.895 -7.662 -5.365 1.00 0.00 H new ATOM 1162 N ILE B 16 2.542 -4.470 -3.909 1.00 0.00 N ATOM 1163 CA ILE B 16 2.626 -3.298 -4.801 1.00 0.00 C ATOM 1164 C ILE B 16 3.801 -2.432 -4.345 1.00 0.00 C ATOM 1165 O ILE B 16 4.661 -2.033 -5.132 1.00 0.00 O ATOM 1166 CB ILE B 16 1.389 -2.358 -4.732 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.052 -3.099 -4.709 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.401 -1.423 -5.944 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.155 -3.853 -6.006 1.00 0.00 C ATOM 0 H ILE B 16 1.655 -4.594 -3.421 1.00 0.00 H new ATOM 0 HA ILE B 16 2.716 -3.699 -5.811 1.00 0.00 H new ATOM 0 HB ILE B 16 1.471 -1.811 -3.793 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.028 -3.793 -3.869 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.762 -2.390 -4.559 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.536 -0.761 -5.902 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.314 -0.828 -5.935 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.362 -2.013 -6.859 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.111 -4.376 -5.974 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.153 -3.151 -6.840 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.650 -4.576 -6.139 1.00 0.00 H new ATOM 1181 N MET B 17 3.789 -2.155 -3.049 1.00 0.00 N ATOM 1182 CA MET B 17 4.798 -1.339 -2.386 1.00 0.00 C ATOM 1183 C MET B 17 6.192 -1.966 -2.511 1.00 0.00 C ATOM 1184 O MET B 17 7.187 -1.253 -2.642 1.00 0.00 O ATOM 1185 CB MET B 17 4.385 -1.185 -0.932 1.00 0.00 C ATOM 1186 CG MET B 17 2.948 -0.645 -0.876 1.00 0.00 C ATOM 1187 SD MET B 17 2.925 1.083 -1.352 1.00 0.00 S ATOM 1188 CE MET B 17 3.846 1.670 0.071 1.00 0.00 C ATOM 0 H MET B 17 3.065 -2.497 -2.417 1.00 0.00 H new ATOM 0 HA MET B 17 4.860 -0.360 -2.861 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.447 -2.145 -0.419 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.064 -0.504 -0.418 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.307 -1.223 -1.542 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.547 -0.759 0.131 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.267 2.435 0.589 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.037 0.838 0.749 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.794 2.094 -0.259 1.00 0.00 H new ATOM 1198 N ARG B 18 6.250 -3.302 -2.492 1.00 0.00 N ATOM 1199 CA ARG B 18 7.519 -4.018 -2.628 1.00 0.00 C ATOM 1200 C ARG B 18 8.138 -3.793 -4.001 1.00 0.00 C ATOM 1201 O ARG B 18 9.361 -3.715 -4.128 1.00 0.00 O ATOM 1202 CB ARG B 18 7.311 -5.500 -2.398 1.00 0.00 C ATOM 1203 CG ARG B 18 7.192 -5.756 -0.894 1.00 0.00 C ATOM 1204 CD ARG B 18 7.898 -7.051 -0.543 1.00 0.00 C ATOM 1205 NE ARG B 18 7.138 -8.192 -1.048 1.00 0.00 N ATOM 1206 CZ ARG B 18 7.710 -9.372 -1.242 1.00 0.00 C ATOM 1207 NH1 ARG B 18 8.059 -10.104 -0.221 1.00 0.00 N ATOM 1208 NH2 ARG B 18 7.919 -9.798 -2.454 1.00 0.00 N ATOM 0 H ARG B 18 5.435 -3.906 -2.384 1.00 0.00 H new ATOM 0 HA ARG B 18 8.204 -3.627 -1.876 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.410 -5.838 -2.910 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.145 -6.067 -2.812 1.00 0.00 H new ATOM 0 HG2 ARG B 18 7.631 -4.928 -0.338 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.142 -5.812 -0.606 1.00 0.00 H new ATOM 0 HD2 ARG B 18 8.901 -7.055 -0.970 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.012 -7.130 0.538 1.00 0.00 H new ATOM 0 HE ARG B 18 6.146 -8.078 -1.256 1.00 0.00 H new ATOM 0 HH11 ARG B 18 7.892 -9.769 0.728 1.00 0.00 H new ATOM 0 HH12 ARG B 18 8.499 -11.012 -0.371 1.00 0.00 H new ATOM 0 HH21 ARG B 18 7.643 -9.224 -3.251 1.00 0.00 H new ATOM 0 HH22 ARG B 18 8.359 -10.705 -2.607 1.00 0.00 H new ATOM 1222 N LEU B 19 7.286 -3.690 -5.027 1.00 0.00 N ATOM 1223 CA LEU B 19 7.763 -3.475 -6.394 1.00 0.00 C ATOM 1224 C LEU B 19 8.526 -2.161 -6.487 1.00 0.00 C ATOM 1225 O LEU B 19 7.937 -1.095 -6.333 1.00 0.00 O ATOM 1226 CB LEU B 19 6.593 -3.429 -7.383 1.00 0.00 C ATOM 1227 CG LEU B 19 5.787 -4.728 -7.363 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.494 -4.539 -8.150 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.586 -5.849 -7.999 1.00 0.00 C ATOM 0 H LEU B 19 6.272 -3.752 -4.937 1.00 0.00 H new ATOM 0 HA LEU B 19 8.419 -4.308 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.940 -2.591 -7.137 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.973 -3.252 -8.389 1.00 0.00 H new ATOM 0 HG LEU B 19 5.562 -4.984 -6.328 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.920 -5.466 -8.135 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.906 -3.741 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.731 -4.275 -9.181 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.002 -6.769 -7.979 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.819 -5.589 -9.032 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.513 -5.996 -7.444 1.00 0.00 H new ATOM 1241 N PRO B 20 9.813 -2.209 -6.738 1.00 0.00 N ATOM 1242 CA PRO B 20 10.653 -0.989 -6.855 1.00 0.00 C ATOM 1243 C PRO B 20 10.535 -0.315 -8.227 1.00 0.00 C ATOM 1244 O PRO B 20 11.200 0.693 -8.476 1.00 0.00 O ATOM 1245 CB PRO B 20 12.084 -1.508 -6.631 1.00 0.00 C ATOM 1246 CG PRO B 20 11.988 -2.982 -6.400 1.00 0.00 C ATOM 1247 CD PRO B 20 10.636 -3.414 -6.933 1.00 0.00 C ATOM 0 HA PRO B 20 10.347 -0.224 -6.141 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.711 -1.294 -7.497 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.543 -1.013 -5.775 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.793 -3.508 -6.913 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.079 -3.215 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.688 -3.704 -7.983 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.239 -4.269 -6.386 1.00 0.00 H new ATOM 1255 N ASN B 21 9.713 -0.883 -9.121 1.00 0.00 N ATOM 1256 CA ASN B 21 9.560 -0.328 -10.464 1.00 0.00 C ATOM 1257 C ASN B 21 8.264 0.472 -10.609 1.00 0.00 C ATOM 1258 O ASN B 21 8.134 1.271 -11.539 1.00 0.00 O ATOM 1259 CB ASN B 21 9.590 -1.466 -11.487 1.00 0.00 C ATOM 1260 CG ASN B 21 10.909 -2.233 -11.411 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.934 -1.687 -11.001 1.00 0.00 O ATOM 1262 ND2 ASN B 21 10.942 -3.481 -11.785 1.00 0.00 N ATOM 0 H ASN B 21 9.153 -1.715 -8.938 1.00 0.00 H new ATOM 0 HA ASN B 21 10.387 0.359 -10.642 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.758 -2.146 -11.305 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.457 -1.062 -12.491 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.816 -4.005 -11.738 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.094 -3.934 -12.125 1.00 0.00 H new ATOM 1269 N LEU B 22 7.303 0.260 -9.700 1.00 0.00 N ATOM 1270 CA LEU B 22 6.031 0.985 -9.773 1.00 0.00 C ATOM 1271 C LEU B 22 6.171 2.434 -9.323 1.00 0.00 C ATOM 1272 O LEU B 22 7.067 2.790 -8.557 1.00 0.00 O ATOM 1273 CB LEU B 22 4.945 0.318 -8.907 1.00 0.00 C ATOM 1274 CG LEU B 22 4.640 -1.103 -9.375 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.364 -1.606 -8.692 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.421 -1.096 -10.869 1.00 0.00 C ATOM 0 H LEU B 22 7.380 -0.394 -8.921 1.00 0.00 H new ATOM 0 HA LEU B 22 5.736 0.958 -10.822 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.272 0.296 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.034 0.916 -8.942 1.00 0.00 H new ATOM 0 HG LEU B 22 5.476 -1.755 -9.120 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.148 -2.620 -9.027 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.505 -1.603 -7.611 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.531 -0.953 -8.951 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.203 -2.108 -11.209 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.582 -0.443 -11.111 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.320 -0.732 -11.367 1.00 0.00 H new ATOM 1288 N ASN B 23 5.236 3.248 -9.799 1.00 0.00 N ATOM 1289 CA ASN B 23 5.170 4.662 -9.455 1.00 0.00 C ATOM 1290 C ASN B 23 4.343 4.795 -8.172 1.00 0.00 C ATOM 1291 O ASN B 23 3.508 3.938 -7.890 1.00 0.00 O ATOM 1292 CB ASN B 23 4.533 5.398 -10.671 1.00 0.00 C ATOM 1293 CG ASN B 23 3.512 6.474 -10.303 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.666 7.189 -9.333 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.467 6.640 -11.065 1.00 0.00 N ATOM 0 H ASN B 23 4.500 2.944 -10.437 1.00 0.00 H new ATOM 0 HA ASN B 23 6.146 5.106 -9.261 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.329 5.857 -11.258 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.049 4.661 -11.312 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.786 7.366 -10.845 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.331 6.043 -11.881 1.00 0.00 H new ATOM 1302 N SER B 24 4.562 5.867 -7.404 1.00 0.00 N ATOM 1303 CA SER B 24 3.804 6.068 -6.164 1.00 0.00 C ATOM 1304 C SER B 24 2.313 6.125 -6.486 1.00 0.00 C ATOM 1305 O SER B 24 1.497 5.488 -5.823 1.00 0.00 O ATOM 1306 CB SER B 24 4.255 7.360 -5.476 1.00 0.00 C ATOM 1307 OG SER B 24 4.161 8.442 -6.393 1.00 0.00 O ATOM 0 H SER B 24 5.244 6.596 -7.613 1.00 0.00 H new ATOM 0 HA SER B 24 3.989 5.236 -5.485 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.634 7.555 -4.602 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.281 7.257 -5.122 1.00 0.00 H new ATOM 0 HG SER B 24 4.537 9.250 -5.985 1.00 0.00 H new ATOM 1313 N LEU B 25 1.991 6.856 -7.550 1.00 0.00 N ATOM 1314 CA LEU B 25 0.626 6.974 -8.026 1.00 0.00 C ATOM 1315 C LEU B 25 0.167 5.652 -8.629 1.00 0.00 C ATOM 1316 O LEU B 25 -0.995 5.274 -8.480 1.00 0.00 O ATOM 1317 CB LEU B 25 0.523 8.086 -9.079 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.423 9.169 -8.602 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.409 10.348 -9.583 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.827 8.581 -8.505 1.00 0.00 C ATOM 0 H LEU B 25 2.671 7.380 -8.101 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.016 7.225 -7.182 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.509 8.511 -9.268 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.168 7.672 -10.023 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.108 9.533 -7.624 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.092 11.122 -9.232 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.600 10.756 -9.647 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.725 10.005 -10.568 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.520 9.349 -8.162 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.139 8.221 -9.485 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.826 7.752 -7.798 1.00 0.00 H new ATOM 1332 N GLN B 26 1.089 4.934 -9.294 1.00 0.00 N ATOM 1333 CA GLN B 26 0.733 3.638 -9.881 1.00 0.00 C ATOM 1334 C GLN B 26 0.366 2.673 -8.773 1.00 0.00 C ATOM 1335 O GLN B 26 -0.576 1.893 -8.886 1.00 0.00 O ATOM 1336 CB GLN B 26 1.914 3.035 -10.643 1.00 0.00 C ATOM 1337 CG GLN B 26 1.842 3.354 -12.142 1.00 0.00 C ATOM 1338 CD GLN B 26 3.074 2.787 -12.839 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.926 2.071 -12.157 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.261 2.992 -14.037 1.00 0.00 N flip ATOM 0 H GLN B 26 2.058 5.221 -9.434 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.101 3.797 -10.565 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.847 3.421 -10.233 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.926 1.954 -10.501 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.937 2.926 -12.573 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.788 4.432 -12.294 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.594 3.552 -14.569 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.083 2.602 -14.499 1.00 0.00 H new ATOM 1349 N VAL B 27 1.136 2.752 -7.699 1.00 0.00 N ATOM 1350 CA VAL B 27 0.926 1.906 -6.545 1.00 0.00 C ATOM 1351 C VAL B 27 -0.410 2.227 -5.930 1.00 0.00 C ATOM 1352 O VAL B 27 -1.189 1.329 -5.625 1.00 0.00 O ATOM 1353 CB VAL B 27 2.085 2.081 -5.560 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.774 1.390 -4.220 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.333 1.452 -6.194 1.00 0.00 C ATOM 0 H VAL B 27 1.918 3.401 -7.607 1.00 0.00 H new ATOM 0 HA VAL B 27 0.909 0.856 -6.837 1.00 0.00 H new ATOM 0 HB VAL B 27 2.244 3.140 -5.358 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.612 1.528 -3.536 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.875 1.827 -3.785 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.615 0.325 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.179 1.560 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.151 0.394 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.556 1.955 -7.135 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.695 3.513 -5.820 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.970 3.945 -5.311 1.00 0.00 C ATOM 1367 C VAL B 28 -3.065 3.412 -6.236 1.00 0.00 C ATOM 1368 O VAL B 28 -4.147 3.063 -5.788 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.030 5.477 -5.245 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.411 5.895 -4.735 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.936 6.010 -4.297 1.00 0.00 C ATOM 0 H VAL B 28 -0.059 4.268 -6.077 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.114 3.560 -4.302 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.861 5.894 -6.238 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.466 6.982 -4.684 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.178 5.525 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.574 5.476 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.987 7.098 -4.257 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.090 5.603 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.044 5.706 -4.665 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.756 3.341 -7.534 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.699 2.842 -8.523 1.00 0.00 C ATOM 1383 C ALA B 29 -4.098 1.418 -8.176 1.00 0.00 C ATOM 1384 O ALA B 29 -5.281 1.061 -8.200 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.040 2.866 -9.913 1.00 0.00 C ATOM 0 H ALA B 29 -1.855 3.625 -7.919 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.587 3.474 -8.528 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.744 2.493 -10.656 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.756 3.888 -10.164 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.152 2.234 -9.905 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.095 0.613 -7.833 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.320 -0.750 -7.474 1.00 0.00 C ATOM 1393 C PHE B 30 -3.982 -0.837 -6.094 1.00 0.00 C ATOM 1394 O PHE B 30 -4.974 -1.539 -5.941 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.975 -1.492 -7.533 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.446 -1.457 -8.966 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.212 -1.971 -10.035 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.194 -0.872 -9.238 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.728 -1.889 -11.340 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.279 -0.804 -10.544 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.487 -1.310 -11.595 1.00 0.00 C ATOM 0 H PHE B 30 -2.117 0.902 -7.802 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.008 -1.226 -8.173 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.259 -1.026 -6.856 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.100 -2.523 -7.204 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.172 -2.427 -9.842 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.401 -0.475 -8.429 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.318 -2.276 -12.157 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.242 -0.358 -10.745 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.117 -1.253 -12.608 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.467 -0.083 -5.109 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.054 -0.089 -3.760 1.00 0.00 C ATOM 1413 C ILE B 31 -5.520 0.329 -3.824 1.00 0.00 C ATOM 1414 O ILE B 31 -6.384 -0.294 -3.210 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.297 0.883 -2.838 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.826 0.455 -2.698 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.946 0.886 -1.445 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.030 1.606 -2.075 1.00 0.00 C ATOM 0 H ILE B 31 -2.658 0.529 -5.218 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.976 -1.100 -3.360 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.343 1.880 -3.275 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.751 -0.436 -2.075 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.414 0.197 -3.674 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.408 1.575 -0.794 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.986 1.203 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.906 -0.118 -1.023 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.014 1.312 -1.972 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.098 2.484 -2.717 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.439 1.842 -1.093 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.781 1.386 -4.581 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.132 1.898 -4.745 1.00 0.00 C ATOM 1432 C ASN B 32 -8.057 0.815 -5.310 1.00 0.00 C ATOM 1433 O ASN B 32 -9.239 0.766 -4.973 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.112 3.107 -5.686 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.420 3.894 -5.612 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.350 3.520 -4.896 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.535 4.977 -6.319 1.00 0.00 N ATOM 0 H ASN B 32 -5.069 1.907 -5.093 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.512 2.201 -3.769 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.278 3.759 -5.425 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.946 2.771 -6.709 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.397 5.521 -6.282 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.763 5.284 -6.911 1.00 0.00 H new ATOM 1444 N SER B 33 -7.509 -0.065 -6.156 1.00 0.00 N ATOM 1445 CA SER B 33 -8.289 -1.138 -6.733 1.00 0.00 C ATOM 1446 C SER B 33 -8.519 -2.220 -5.687 1.00 0.00 C ATOM 1447 O SER B 33 -9.543 -2.903 -5.710 1.00 0.00 O ATOM 1448 CB SER B 33 -7.600 -1.670 -7.972 1.00 0.00 C ATOM 1449 OG SER B 33 -8.020 -0.919 -9.102 1.00 0.00 O ATOM 0 H SER B 33 -6.532 -0.046 -6.448 1.00 0.00 H new ATOM 0 HA SER B 33 -9.266 -0.767 -7.043 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.518 -1.602 -7.858 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.841 -2.724 -8.112 1.00 0.00 H new ATOM 0 HG SER B 33 -7.574 -1.260 -9.905 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.580 -2.347 -4.740 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.744 -3.321 -3.664 1.00 0.00 C ATOM 1457 C LEU B 34 -8.985 -2.903 -2.888 1.00 0.00 C ATOM 1458 O LEU B 34 -9.820 -3.733 -2.524 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.500 -3.353 -2.747 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.222 -3.519 -3.591 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.020 -3.876 -2.727 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.436 -4.614 -4.602 1.00 0.00 C ATOM 0 H LEU B 34 -6.720 -1.800 -4.699 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.855 -4.328 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.444 -2.433 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.584 -4.175 -2.036 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.019 -2.569 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.138 -3.985 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.849 -3.085 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.212 -4.814 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.535 -4.736 -5.202 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.657 -5.548 -4.085 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.271 -4.352 -5.251 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.118 -1.582 -2.714 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.305 -1.005 -2.055 1.00 0.00 C ATOM 1476 C ARG B 35 -11.549 -1.376 -2.853 1.00 0.00 C ATOM 1477 O ARG B 35 -12.572 -1.773 -2.290 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.254 0.534 -2.017 1.00 0.00 C ATOM 1479 CG ARG B 35 -8.913 1.067 -1.495 1.00 0.00 C ATOM 1480 CD ARG B 35 -9.146 2.017 -0.313 1.00 0.00 C ATOM 1481 NE ARG B 35 -9.054 1.293 0.951 1.00 0.00 N ATOM 1482 CZ ARG B 35 -10.127 1.109 1.713 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.954 0.139 1.446 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.360 1.904 2.716 1.00 0.00 N ATOM 0 H ARG B 35 -8.427 -0.895 -3.016 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.328 -1.397 -1.038 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -10.431 0.925 -3.019 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -11.060 0.905 -1.384 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -8.279 0.236 -1.184 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -8.385 1.590 -2.293 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.409 2.820 -0.333 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -10.127 2.483 -0.401 1.00 0.00 H new ATOM 0 HE ARG B 35 -8.153 0.923 1.254 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.778 -0.478 0.653 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.778 -0.004 2.030 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -9.718 2.671 2.919 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -11.184 1.761 3.299 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.439 -1.226 -4.178 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.542 -1.525 -5.085 1.00 0.00 C ATOM 1500 C ASP B 36 -12.987 -2.974 -4.936 1.00 0.00 C ATOM 1501 O ASP B 36 -14.184 -3.262 -4.946 1.00 0.00 O ATOM 1502 CB ASP B 36 -12.106 -1.264 -6.536 1.00 0.00 C ATOM 1503 CG ASP B 36 -13.285 -1.489 -7.484 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -14.033 -0.551 -7.702 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -13.423 -2.600 -7.973 1.00 0.00 O ATOM 0 H ASP B 36 -10.592 -0.898 -4.643 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.382 -0.877 -4.833 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.738 -0.243 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -11.283 -1.927 -6.802 1.00 0.00 H new ATOM 1510 N ASP B 37 -12.013 -3.871 -4.791 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.305 -5.296 -4.638 1.00 0.00 C ATOM 1512 C ASP B 37 -11.075 -6.065 -4.167 1.00 0.00 C ATOM 1513 O ASP B 37 -10.128 -6.275 -4.932 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.816 -5.890 -5.963 1.00 0.00 C ATOM 1515 CG ASP B 37 -14.348 -5.879 -5.993 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.944 -6.550 -5.163 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -14.902 -5.200 -6.842 1.00 0.00 O ATOM 0 H ASP B 37 -11.020 -3.639 -4.776 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.083 -5.393 -3.881 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -12.425 -5.315 -6.802 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.450 -6.910 -6.077 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.087 -6.506 -2.928 1.00 0.00 N ATOM 1523 CA PRO B 38 -9.970 -7.290 -2.350 1.00 0.00 C ATOM 1524 C PRO B 38 -9.884 -8.686 -2.971 1.00 0.00 C ATOM 1525 O PRO B 38 -8.855 -9.358 -2.872 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.282 -7.384 -0.854 1.00 0.00 C ATOM 1527 CG PRO B 38 -11.563 -6.661 -0.609 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.170 -6.300 -1.956 1.00 0.00 C ATOM 0 HA PRO B 38 -9.008 -6.815 -2.543 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -10.367 -8.426 -0.546 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.476 -6.943 -0.267 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.249 -7.286 -0.038 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.385 -5.762 -0.019 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.030 -6.930 -2.183 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.520 -5.268 -1.968 1.00 0.00 H new ATOM 1536 N SER B 39 -10.980 -9.111 -3.614 1.00 0.00 N ATOM 1537 CA SER B 39 -11.035 -10.418 -4.256 1.00 0.00 C ATOM 1538 C SER B 39 -10.018 -10.473 -5.380 1.00 0.00 C ATOM 1539 O SER B 39 -9.276 -11.448 -5.510 1.00 0.00 O ATOM 1540 CB SER B 39 -12.437 -10.670 -4.818 1.00 0.00 C ATOM 1541 OG SER B 39 -13.399 -10.470 -3.792 1.00 0.00 O ATOM 0 H SER B 39 -11.837 -8.564 -3.700 1.00 0.00 H new ATOM 0 HA SER B 39 -10.806 -11.187 -3.518 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.633 -9.996 -5.652 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.508 -11.686 -5.206 1.00 0.00 H new ATOM 0 HG SER B 39 -14.297 -10.629 -4.150 1.00 0.00 H new ATOM 1547 N GLN B 40 -9.981 -9.402 -6.177 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.040 -9.315 -7.278 1.00 0.00 C ATOM 1549 C GLN B 40 -7.839 -8.488 -6.869 1.00 0.00 C ATOM 1550 O GLN B 40 -7.127 -7.964 -7.719 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.687 -8.721 -8.541 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.221 -8.720 -8.439 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.835 -8.326 -9.779 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -12.811 -8.934 -10.218 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -11.317 -7.343 -10.459 1.00 0.00 N ATOM 0 H GLN B 40 -10.591 -8.591 -6.075 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.719 -10.328 -7.520 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.330 -7.702 -8.689 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.379 -9.297 -9.414 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.574 -9.708 -8.145 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.541 -8.023 -7.664 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -10.508 -6.840 -10.093 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -11.720 -7.076 -11.357 1.00 0.00 H new ATOM 1564 N SER B 41 -7.601 -8.379 -5.560 1.00 0.00 N ATOM 1565 CA SER B 41 -6.464 -7.620 -5.082 1.00 0.00 C ATOM 1566 C SER B 41 -5.201 -8.162 -5.716 1.00 0.00 C ATOM 1567 O SER B 41 -4.271 -7.425 -6.021 1.00 0.00 O ATOM 1568 CB SER B 41 -6.376 -7.731 -3.557 1.00 0.00 C ATOM 1569 OG SER B 41 -5.213 -7.072 -3.089 1.00 0.00 O ATOM 0 H SER B 41 -8.174 -8.802 -4.830 1.00 0.00 H new ATOM 0 HA SER B 41 -6.581 -6.571 -5.353 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.262 -7.290 -3.100 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.353 -8.780 -3.261 1.00 0.00 H new ATOM 0 HG SER B 41 -5.442 -6.512 -2.318 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.225 -9.464 -5.926 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.135 -10.185 -6.552 1.00 0.00 C ATOM 1577 C ALA B 42 -4.077 -9.877 -8.047 1.00 0.00 C ATOM 1578 O ALA B 42 -3.024 -9.997 -8.664 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.372 -11.681 -6.365 1.00 0.00 C ATOM 0 H ALA B 42 -6.012 -10.057 -5.663 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.194 -9.881 -6.093 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.560 -12.239 -6.831 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.408 -11.913 -5.301 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.318 -11.960 -6.830 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.237 -9.518 -8.615 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.369 -9.227 -10.039 1.00 0.00 C ATOM 1587 C ASN B 43 -4.690 -7.934 -10.431 1.00 0.00 C ATOM 1588 O ASN B 43 -3.861 -7.911 -11.335 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.834 -9.109 -10.370 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.047 -9.125 -11.882 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.293 -8.081 -12.485 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -6.967 -10.252 -12.532 1.00 0.00 N ATOM 0 H ASN B 43 -6.109 -9.423 -8.094 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.891 -10.038 -10.588 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.383 -9.931 -9.911 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.234 -8.186 -9.951 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.108 -10.269 -13.542 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.763 -11.117 -12.031 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.039 -6.853 -9.744 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.434 -5.587 -10.036 1.00 0.00 C ATOM 1601 C LEU B 44 -3.027 -5.601 -9.464 1.00 0.00 C ATOM 1602 O LEU B 44 -2.121 -4.974 -9.991 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.326 -4.390 -9.634 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.494 -4.177 -8.138 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.413 -5.229 -7.550 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.170 -4.139 -7.410 1.00 0.00 C ATOM 0 H LEU B 44 -5.729 -6.840 -8.993 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.341 -5.436 -11.111 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.905 -3.483 -10.068 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.312 -4.528 -10.077 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.954 -3.198 -8.000 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.521 -5.060 -6.479 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.391 -5.166 -8.028 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.989 -6.219 -7.720 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.345 -3.985 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.646 -5.083 -7.559 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.564 -3.322 -7.800 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.833 -6.412 -8.421 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.510 -6.601 -7.871 1.00 0.00 C ATOM 1620 C LEU B 45 -0.720 -7.271 -8.971 1.00 0.00 C ATOM 1621 O LEU B 45 0.457 -7.005 -9.189 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.564 -7.514 -6.638 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.211 -8.207 -6.418 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.880 -7.156 -6.219 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.294 -9.128 -5.194 1.00 0.00 C ATOM 0 H LEU B 45 -3.572 -6.937 -7.953 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.065 -5.658 -7.554 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.826 -6.929 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.345 -8.263 -6.767 1.00 0.00 H new ATOM 0 HG LEU B 45 0.035 -8.808 -7.293 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.838 -7.651 -6.063 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.939 -6.521 -7.103 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.642 -6.545 -5.349 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.668 -9.618 -5.041 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.545 -8.539 -4.312 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.063 -9.883 -5.358 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.436 -8.122 -9.692 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.859 -8.823 -10.819 1.00 0.00 C ATOM 1639 C ALA B 46 -0.480 -7.777 -11.855 1.00 0.00 C ATOM 1640 O ALA B 46 0.606 -7.811 -12.425 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.871 -9.819 -11.410 1.00 0.00 C ATOM 0 H ALA B 46 -2.416 -8.340 -9.513 1.00 0.00 H new ATOM 0 HA ALA B 46 0.017 -9.392 -10.508 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.420 -10.337 -12.256 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.153 -10.546 -10.648 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.758 -9.281 -11.745 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.390 -6.813 -12.032 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.180 -5.696 -12.936 1.00 0.00 C ATOM 1649 C GLU B 47 0.013 -4.882 -12.457 1.00 0.00 C ATOM 1650 O GLU B 47 0.736 -4.291 -13.253 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.417 -4.777 -12.962 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.630 -5.481 -13.555 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.320 -6.042 -14.947 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.901 -5.274 -15.801 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.501 -7.234 -15.137 1.00 0.00 O ATOM 0 H GLU B 47 -2.289 -6.792 -11.550 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.003 -6.090 -13.937 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.647 -4.448 -11.949 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.194 -3.883 -13.545 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -3.942 -6.290 -12.895 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.464 -4.782 -13.619 1.00 0.00 H new ATOM 1662 N ALA B 48 0.179 -4.840 -11.136 1.00 0.00 N ATOM 1663 CA ALA B 48 1.246 -4.087 -10.509 1.00 0.00 C ATOM 1664 C ALA B 48 2.580 -4.754 -10.709 1.00 0.00 C ATOM 1665 O ALA B 48 3.537 -4.124 -11.114 1.00 0.00 O ATOM 1666 CB ALA B 48 0.970 -4.043 -9.022 1.00 0.00 C ATOM 0 H ALA B 48 -0.426 -5.329 -10.477 1.00 0.00 H new ATOM 0 HA ALA B 48 1.281 -3.092 -10.953 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.759 -3.481 -8.522 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.010 -3.558 -8.844 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.942 -5.059 -8.627 1.00 0.00 H new ATOM 1672 N LYS B 49 2.618 -6.043 -10.439 1.00 0.00 N ATOM 1673 CA LYS B 49 3.827 -6.815 -10.611 1.00 0.00 C ATOM 1674 C LYS B 49 4.162 -6.823 -12.097 1.00 0.00 C ATOM 1675 O LYS B 49 5.327 -6.811 -12.487 1.00 0.00 O ATOM 1676 CB LYS B 49 3.603 -8.216 -10.039 1.00 0.00 C ATOM 1677 CG LYS B 49 3.631 -8.166 -8.508 1.00 0.00 C ATOM 1678 CD LYS B 49 3.635 -9.596 -7.947 1.00 0.00 C ATOM 1679 CE LYS B 49 2.267 -10.261 -8.163 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.748 -10.759 -6.859 1.00 0.00 N ATOM 0 H LYS B 49 1.820 -6.578 -10.098 1.00 0.00 H new ATOM 0 HA LYS B 49 4.674 -6.386 -10.076 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.646 -8.609 -10.381 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.374 -8.894 -10.403 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.516 -7.628 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.764 -7.621 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.413 -10.183 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.872 -9.575 -6.883 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.567 -9.546 -8.596 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.359 -11.086 -8.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.711 -10.830 -6.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 2.152 -11.697 -6.660 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 2.018 -10.098 -6.103 1.00 0.00 H new ATOM 1694 N LYS B 50 3.102 -6.767 -12.904 1.00 0.00 N ATOM 1695 CA LYS B 50 3.217 -6.687 -14.351 1.00 0.00 C ATOM 1696 C LYS B 50 3.742 -5.312 -14.739 1.00 0.00 C ATOM 1697 O LYS B 50 4.587 -5.191 -15.615 1.00 0.00 O ATOM 1698 CB LYS B 50 1.840 -6.897 -14.967 1.00 0.00 C ATOM 1699 CG LYS B 50 1.921 -6.976 -16.497 1.00 0.00 C ATOM 1700 CD LYS B 50 0.550 -6.631 -17.093 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.444 -7.771 -16.835 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.759 -7.426 -17.445 1.00 0.00 N ATOM 0 H LYS B 50 2.139 -6.776 -12.567 1.00 0.00 H new ATOM 0 HA LYS B 50 3.904 -7.452 -14.713 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.400 -7.814 -14.576 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.181 -6.079 -14.677 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.677 -6.285 -16.869 1.00 0.00 H new ATOM 0 HG3 LYS B 50 2.224 -7.976 -16.806 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.176 -5.707 -16.652 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.645 -6.458 -18.165 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.066 -8.701 -17.259 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.559 -7.933 -15.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.519 -7.612 -16.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.767 -6.419 -17.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -1.910 -8.006 -18.295 1.00 0.00 H new ATOM 1716 N LEU B 51 3.226 -4.278 -14.068 1.00 0.00 N ATOM 1717 CA LEU B 51 3.655 -2.906 -14.334 1.00 0.00 C ATOM 1718 C LEU B 51 5.079 -2.750 -13.892 1.00 0.00 C ATOM 1719 O LEU B 51 5.905 -2.148 -14.575 1.00 0.00 O ATOM 1720 CB LEU B 51 2.766 -1.905 -13.589 1.00 0.00 C ATOM 1721 CG LEU B 51 1.868 -1.177 -14.582 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.737 -0.259 -15.457 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.104 -2.199 -15.450 1.00 0.00 C ATOM 0 H LEU B 51 2.515 -4.366 -13.342 1.00 0.00 H new ATOM 0 HA LEU B 51 3.571 -2.705 -15.402 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.159 -2.425 -12.848 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.383 -1.188 -13.049 1.00 0.00 H new ATOM 0 HG LEU B 51 1.134 -0.573 -14.048 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.105 0.267 -16.172 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.251 0.465 -14.825 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.472 -0.858 -15.995 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.465 -1.670 -16.157 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.816 -2.817 -15.997 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.490 -2.833 -14.810 1.00 0.00 H new ATOM 1735 N ASN B 52 5.356 -3.360 -12.761 1.00 0.00 N ATOM 1736 CA ASN B 52 6.681 -3.380 -12.214 1.00 0.00 C ATOM 1737 C ASN B 52 7.561 -4.038 -13.242 1.00 0.00 C ATOM 1738 O ASN B 52 8.655 -3.572 -13.559 1.00 0.00 O ATOM 1739 CB ASN B 52 6.652 -4.201 -10.935 1.00 0.00 C ATOM 1740 CG ASN B 52 8.023 -4.766 -10.615 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.797 -4.094 -9.845 1.00 0.00 O flip ATOM 1742 ND2 ASN B 52 8.386 -5.845 -11.081 1.00 0.00 N flip ATOM 0 H ASN B 52 4.663 -3.855 -12.199 1.00 0.00 H new ATOM 0 HA ASN B 52 7.052 -2.382 -11.983 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.310 -3.579 -10.108 1.00 0.00 H new ATOM 0 HB3 ASN B 52 5.935 -5.016 -11.039 1.00 0.00 H new ATOM 0 HD21 ASN B 52 7.763 -6.372 -11.693 1.00 0.00 H new ATOM 0 HD22 ASN B 52 9.310 -6.213 -10.856 1.00 0.00 H new ATOM 1749 N ASP B 53 7.014 -5.118 -13.778 1.00 0.00 N ATOM 1750 CA ASP B 53 7.693 -5.871 -14.825 1.00 0.00 C ATOM 1751 C ASP B 53 7.826 -5.000 -16.076 1.00 0.00 C ATOM 1752 O ASP B 53 8.819 -5.076 -16.802 1.00 0.00 O ATOM 1753 CB ASP B 53 6.919 -7.150 -15.170 1.00 0.00 C ATOM 1754 CG ASP B 53 7.830 -8.134 -15.902 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.027 -7.960 -17.094 1.00 0.00 O ATOM 1756 OD2 ASP B 53 8.325 -9.045 -15.259 1.00 0.00 O ATOM 0 H ASP B 53 6.105 -5.493 -13.508 1.00 0.00 H new ATOM 0 HA ASP B 53 8.681 -6.153 -14.462 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.534 -7.608 -14.259 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.058 -6.907 -15.793 1.00 0.00 H new ATOM 1761 N ALA B 54 6.795 -4.180 -16.312 1.00 0.00 N ATOM 1762 CA ALA B 54 6.751 -3.289 -17.465 1.00 0.00 C ATOM 1763 C ALA B 54 7.815 -2.200 -17.362 1.00 0.00 C ATOM 1764 O ALA B 54 8.439 -1.835 -18.361 1.00 0.00 O ATOM 1765 CB ALA B 54 5.364 -2.648 -17.554 1.00 0.00 C ATOM 0 H ALA B 54 5.974 -4.119 -15.709 1.00 0.00 H new ATOM 0 HA ALA B 54 6.952 -3.874 -18.363 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.326 -1.981 -18.415 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.610 -3.427 -17.665 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.167 -2.079 -16.645 1.00 0.00 H new ATOM 1771 N GLN B 55 8.016 -1.689 -16.146 1.00 0.00 N ATOM 1772 CA GLN B 55 9.004 -0.642 -15.910 1.00 0.00 C ATOM 1773 C GLN B 55 10.368 -1.236 -15.565 1.00 0.00 C ATOM 1774 O GLN B 55 11.359 -0.511 -15.448 1.00 0.00 O ATOM 1775 CB GLN B 55 8.519 0.237 -14.776 1.00 0.00 C ATOM 1776 CG GLN B 55 7.255 0.981 -15.207 1.00 0.00 C ATOM 1777 CD GLN B 55 6.395 1.264 -13.989 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.942 0.260 -13.292 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.136 2.420 -13.659 1.00 0.00 N flip ATOM 0 H GLN B 55 7.507 -1.984 -15.313 1.00 0.00 H new ATOM 0 HA GLN B 55 9.121 -0.053 -16.820 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.313 -0.370 -13.895 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.295 0.950 -14.498 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.521 1.915 -15.703 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.697 0.384 -15.929 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.494 3.200 -14.210 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.563 2.599 -12.834 1.00 0.00 H new ATOM 1788 N ALA B 56 10.407 -2.559 -15.407 1.00 0.00 N ATOM 1789 CA ALA B 56 11.652 -3.256 -15.079 1.00 0.00 C ATOM 1790 C ALA B 56 12.634 -3.202 -16.242 1.00 0.00 C ATOM 1791 O ALA B 56 12.293 -2.747 -17.337 1.00 0.00 O ATOM 1792 CB ALA B 56 11.366 -4.714 -14.714 1.00 0.00 C ATOM 0 H ALA B 56 9.594 -3.168 -15.500 1.00 0.00 H new ATOM 0 HA ALA B 56 12.101 -2.752 -14.223 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.301 -5.219 -14.473 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.701 -4.749 -13.851 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.891 -5.214 -15.558 1.00 0.00 H new ATOM 1798 N PRO B 57 13.850 -3.638 -16.011 1.00 0.00 N ATOM 1799 CA PRO B 57 14.926 -3.623 -17.034 1.00 0.00 C ATOM 1800 C PRO B 57 14.811 -4.772 -18.033 1.00 0.00 C ATOM 1801 O PRO B 57 15.810 -5.376 -18.438 1.00 0.00 O ATOM 1802 CB PRO B 57 16.219 -3.702 -16.205 1.00 0.00 C ATOM 1803 CG PRO B 57 15.806 -3.777 -14.768 1.00 0.00 C ATOM 1804 CD PRO B 57 14.349 -4.193 -14.751 1.00 0.00 C ATOM 0 HA PRO B 57 14.881 -2.733 -17.661 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.805 -4.577 -16.485 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.846 -2.828 -16.382 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.420 -4.497 -14.227 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.938 -2.813 -14.277 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.236 -5.276 -14.711 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.820 -3.785 -13.890 1.00 0.00 H new ATOM 1812 N LYS B 58 13.582 -5.047 -18.431 1.00 0.00 N ATOM 1813 CA LYS B 58 13.304 -6.108 -19.392 1.00 0.00 C ATOM 1814 C LYS B 58 13.694 -5.671 -20.808 1.00 0.00 C ATOM 1815 O LYS B 58 14.236 -6.490 -21.531 1.00 0.00 O ATOM 1816 CB LYS B 58 11.823 -6.476 -19.360 1.00 0.00 C ATOM 1817 CG LYS B 58 11.328 -6.654 -17.913 1.00 0.00 C ATOM 1818 CD LYS B 58 12.280 -7.572 -17.127 1.00 0.00 C ATOM 1819 CE LYS B 58 11.493 -8.407 -16.105 1.00 0.00 C ATOM 1820 NZ LYS B 58 10.705 -7.511 -15.213 1.00 0.00 N ATOM 1821 OXT LYS B 58 13.442 -4.525 -21.147 1.00 0.00 O ATOM 0 H LYS B 58 12.754 -4.549 -18.104 1.00 0.00 H new ATOM 0 HA LYS B 58 13.897 -6.980 -19.116 1.00 0.00 H new ATOM 0 HB2 LYS B 58 11.241 -5.698 -19.854 1.00 0.00 H new ATOM 0 HB3 LYS B 58 11.662 -7.398 -19.919 1.00 0.00 H new ATOM 0 HG2 LYS B 58 11.263 -5.683 -17.423 1.00 0.00 H new ATOM 0 HG3 LYS B 58 10.324 -7.078 -17.915 1.00 0.00 H new ATOM 0 HD2 LYS B 58 12.810 -8.231 -17.814 1.00 0.00 H new ATOM 0 HD3 LYS B 58 13.033 -6.973 -16.615 1.00 0.00 H new ATOM 0 HE2 LYS B 58 10.826 -9.096 -16.623 1.00 0.00 H new ATOM 0 HE3 LYS B 58 12.179 -9.012 -15.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 10.015 -8.075 -14.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 11.346 -7.029 -14.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 10.203 -6.803 -15.787 1.00 0.00 H new TER 1835 LYS B 58