USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1102 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 49 GLN : amide:sc= 0.643 K(o=1.4,f=-1.8) USER MOD Set 1.2: B 59 LYS NZ :NH3+ -123:sc= 0.75 (180deg=0) USER MOD Set 2.1: B 37 LYS NZ :NH3+ 180:sc= 1.16 (180deg=1.18) USER MOD Set 2.2: B 40 THR OG1 : rot -66:sc= 1.26 USER MOD Set 3.1: B 26 SER OG : rot -24:sc= 1.86 USER MOD Set 3.2: B 28 GLN : amide:sc= 1.64 K(o=3.5,f=-3.3!) USER MOD Set 4.1: A 37 LYS NZ :NH3+ 167:sc= 1.2 (180deg=0) USER MOD Set 4.2: A 40 THR OG1 : rot 140:sc= 1.05 USER MOD Set 5.1: A 26 SER OG : rot -176:sc= 0.443 USER MOD Set 5.2: B 24 GLN : amide:sc= -1.59! C(o=-1.1!,f=-4.5!) USER MOD Single : A 24 GLN : amide:sc= -0.629 K(o=-0.63,f=-4.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.495 K(o=-0.49,f=-3.3!) USER MOD Single : A 31 SER OG : rot 99:sc= 0.0233 USER MOD Single : A 32 HIS : no HD1:sc= 0.0872 K(o=0.087,f=-6.3!) USER MOD Single : A 34 LYS NZ :NH3+ 174:sc=-0.00494 (180deg=-0.1) USER MOD Single : A 42 ASN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 44 SER OG : rot 48:sc= 0.0551 USER MOD Single : A 45 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.96) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 51 SER OG : rot 72:sc= 0.475 USER MOD Single : A 52 SER OG : rot -110:sc= -1.18 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 1.66 (180deg=1.6) USER MOD Single : A 61 SER OG : rot -93:sc= 1.26 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 1.33 (180deg=1.25) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.0295 USER MOD Single : A 73 HIS : no HE2:sc= 0.933 K(o=0.93,f=-5.1!) USER MOD Single : A 80 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0207 F(o=-1.6,f=-0.021) USER MOD Single : A 91 TYR OH : rot 3:sc= 0.774 USER MOD Single : A 92 ASN : amide:sc= -0.785 K(o=-0.79,f=-8!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 SER OG : rot -91:sc= 1.25 USER MOD Single : B 32 HIS : no HD1:sc= 1.21 K(o=1.2,f=-4.7!) USER MOD Single : B 34 LYS NZ :NH3+ 168:sc= -0.0251 (180deg=-0.201) USER MOD Single : B 42 ASN : amide:sc= -0.182 K(o=-0.18,f=-4.3!) USER MOD Single : B 44 SER OG : rot 47:sc= 0.151 USER MOD Single : B 45 GLN : amide:sc= -0.177 K(o=-0.18,f=-1) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot -61:sc= 1.24 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 61 SER OG : rot 78:sc= 1.14 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ 165:sc= -0.0497 (180deg=-0.345) USER MOD Single : B 71 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 TYR OH : rot 15:sc= -0.0171 USER MOD Single : B 73 HIS : no HE2:sc= 0.184 K(o=0.18,f=-5.9!) USER MOD Single : B 80 HIS : no HE2:sc= 0.91 K(o=0.91,f=-5.2!) USER MOD Single : B 83 ASN : amide:sc= -0.0657 X(o=-0.066,f=0) USER MOD Single : B 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= 0.0684 X(o=0.068,f=0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -4.380 -3.365 -9.167 1.00 0.00 N ATOM 2 CA ALA A 22 -4.922 -3.158 -7.805 1.00 0.00 C ATOM 3 C ALA A 22 -3.919 -2.402 -6.949 1.00 0.00 C ATOM 4 O ALA A 22 -2.758 -2.797 -6.845 1.00 0.00 O ATOM 5 CB ALA A 22 -5.274 -4.491 -7.162 1.00 0.00 C ATOM 0 HA ALA A 22 -5.833 -2.564 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.671 -4.319 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.024 -5.000 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.380 -5.111 -7.096 1.00 0.00 H new ATOM 13 N GLU A 23 -4.367 -1.315 -6.341 1.00 0.00 N ATOM 14 CA GLU A 23 -3.489 -0.478 -5.533 1.00 0.00 C ATOM 15 C GLU A 23 -3.777 -0.689 -4.052 1.00 0.00 C ATOM 16 O GLU A 23 -4.919 -0.955 -3.672 1.00 0.00 O ATOM 17 CB GLU A 23 -3.698 1.003 -5.870 1.00 0.00 C ATOM 18 CG GLU A 23 -3.799 1.307 -7.360 1.00 0.00 C ATOM 19 CD GLU A 23 -2.563 0.912 -8.142 1.00 0.00 C ATOM 20 OE1 GLU A 23 -1.475 0.813 -7.544 1.00 0.00 O ATOM 21 OE2 GLU A 23 -2.679 0.701 -9.370 1.00 0.00 O ATOM 0 H GLU A 23 -5.333 -0.990 -6.391 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.459 -0.759 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.608 1.349 -5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.872 1.577 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.662 0.784 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.979 2.374 -7.494 1.00 0.00 H new ATOM 28 N GLN A 24 -2.755 -0.580 -3.215 1.00 0.00 N ATOM 29 CA GLN A 24 -2.977 -0.575 -1.779 1.00 0.00 C ATOM 30 C GLN A 24 -2.947 0.850 -1.263 1.00 0.00 C ATOM 31 O GLN A 24 -1.909 1.510 -1.279 1.00 0.00 O ATOM 32 CB GLN A 24 -1.959 -1.426 -1.012 1.00 0.00 C ATOM 33 CG GLN A 24 -2.233 -1.411 0.489 1.00 0.00 C ATOM 34 CD GLN A 24 -1.437 -2.425 1.288 1.00 0.00 C ATOM 35 OE1 GLN A 24 -1.924 -2.932 2.296 1.00 0.00 O ATOM 36 NE2 GLN A 24 -0.212 -2.702 0.875 1.00 0.00 N ATOM 0 H GLN A 24 -1.779 -0.495 -3.501 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.956 -1.021 -1.607 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.992 -2.452 -1.378 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.953 -1.051 -1.203 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.017 -0.414 0.874 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.295 -1.593 0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.155 -2.259 0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.367 -3.359 1.399 1.00 0.00 H new ATOM 45 N VAL A 25 -4.095 1.315 -0.815 1.00 0.00 N ATOM 46 CA VAL A 25 -4.223 2.666 -0.302 1.00 0.00 C ATOM 47 C VAL A 25 -4.251 2.660 1.220 1.00 0.00 C ATOM 48 O VAL A 25 -4.957 1.860 1.837 1.00 0.00 O ATOM 49 CB VAL A 25 -5.487 3.356 -0.854 1.00 0.00 C ATOM 50 CG1 VAL A 25 -5.292 3.725 -2.317 1.00 0.00 C ATOM 51 CG2 VAL A 25 -6.705 2.455 -0.694 1.00 0.00 C ATOM 0 H VAL A 25 -4.959 0.774 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.353 3.232 -0.636 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.657 4.268 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.192 4.211 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.446 4.406 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.098 2.823 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.586 2.960 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.544 1.525 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.857 2.234 0.362 1.00 0.00 H new ATOM 61 N SER A 26 -3.465 3.534 1.819 1.00 0.00 N ATOM 62 CA SER A 26 -3.375 3.617 3.262 1.00 0.00 C ATOM 63 C SER A 26 -4.260 4.743 3.794 1.00 0.00 C ATOM 64 O SER A 26 -4.974 5.401 3.030 1.00 0.00 O ATOM 65 CB SER A 26 -1.917 3.831 3.668 1.00 0.00 C ATOM 66 OG SER A 26 -1.091 2.847 3.069 1.00 0.00 O ATOM 0 H SER A 26 -2.875 4.202 1.322 1.00 0.00 H new ATOM 0 HA SER A 26 -3.731 2.683 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.590 4.825 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.823 3.783 4.753 1.00 0.00 H new ATOM 0 HG SER A 26 -0.170 2.956 3.385 1.00 0.00 H new ATOM 72 N LYS A 27 -4.203 4.961 5.105 1.00 0.00 N ATOM 73 CA LYS A 27 -5.051 5.947 5.771 1.00 0.00 C ATOM 74 C LYS A 27 -4.826 7.351 5.208 1.00 0.00 C ATOM 75 O LYS A 27 -5.716 8.203 5.270 1.00 0.00 O ATOM 76 CB LYS A 27 -4.780 5.933 7.279 1.00 0.00 C ATOM 77 CG LYS A 27 -3.325 6.197 7.635 1.00 0.00 C ATOM 78 CD LYS A 27 -3.080 6.161 9.134 1.00 0.00 C ATOM 79 CE LYS A 27 -3.308 4.774 9.711 1.00 0.00 C ATOM 80 NZ LYS A 27 -2.938 4.705 11.149 1.00 0.00 N ATOM 0 H LYS A 27 -3.572 4.463 5.733 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.091 5.678 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.406 6.685 7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.076 4.965 7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.694 5.453 7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.029 7.171 7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.058 6.478 9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.742 6.873 9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.356 4.499 9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.722 4.046 9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.108 3.743 11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.932 4.943 11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.515 5.381 11.689 1.00 0.00 H new ATOM 94 N GLN A 28 -3.644 7.582 4.654 1.00 0.00 N ATOM 95 CA GLN A 28 -3.308 8.871 4.073 1.00 0.00 C ATOM 96 C GLN A 28 -4.120 9.116 2.804 1.00 0.00 C ATOM 97 O GLN A 28 -4.684 10.196 2.611 1.00 0.00 O ATOM 98 CB GLN A 28 -1.810 8.954 3.751 1.00 0.00 C ATOM 99 CG GLN A 28 -0.896 9.066 4.966 1.00 0.00 C ATOM 100 CD GLN A 28 -0.826 7.798 5.798 1.00 0.00 C ATOM 101 OE1 GLN A 28 -0.985 6.687 5.292 1.00 0.00 O ATOM 102 NE2 GLN A 28 -0.579 7.954 7.089 1.00 0.00 N ATOM 0 H GLN A 28 -2.899 6.888 4.595 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.552 9.640 4.806 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.526 8.069 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.639 9.816 3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.108 9.326 4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.243 9.885 5.596 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.453 8.890 7.475 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.515 7.138 7.698 1.00 0.00 H new ATOM 111 N GLU A 29 -4.195 8.100 1.952 1.00 0.00 N ATOM 112 CA GLU A 29 -4.852 8.233 0.661 1.00 0.00 C ATOM 113 C GLU A 29 -6.367 8.107 0.796 1.00 0.00 C ATOM 114 O GLU A 29 -7.110 8.938 0.271 1.00 0.00 O ATOM 115 CB GLU A 29 -4.335 7.186 -0.335 1.00 0.00 C ATOM 116 CG GLU A 29 -2.818 7.074 -0.403 1.00 0.00 C ATOM 117 CD GLU A 29 -2.268 6.039 0.557 1.00 0.00 C ATOM 118 OE1 GLU A 29 -2.218 6.313 1.772 1.00 0.00 O ATOM 119 OE2 GLU A 29 -1.911 4.933 0.102 1.00 0.00 O ATOM 0 H GLU A 29 -3.808 7.174 2.134 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.615 9.227 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.747 6.213 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.714 7.429 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.521 6.816 -1.420 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.375 8.044 -0.179 1.00 0.00 H new ATOM 126 N ILE A 30 -6.819 7.079 1.513 1.00 0.00 N ATOM 127 CA ILE A 30 -8.249 6.783 1.623 1.00 0.00 C ATOM 128 C ILE A 30 -9.033 7.989 2.127 1.00 0.00 C ATOM 129 O ILE A 30 -10.037 8.384 1.527 1.00 0.00 O ATOM 130 CB ILE A 30 -8.518 5.591 2.565 1.00 0.00 C ATOM 131 CG1 ILE A 30 -7.729 4.361 2.120 1.00 0.00 C ATOM 132 CG2 ILE A 30 -10.007 5.274 2.601 1.00 0.00 C ATOM 133 CD1 ILE A 30 -7.843 3.194 3.074 1.00 0.00 C ATOM 0 H ILE A 30 -6.216 6.436 2.027 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.583 6.527 0.618 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.190 5.866 3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.080 4.051 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.679 4.632 2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.183 4.431 3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.556 6.144 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.349 5.020 1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.258 2.356 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.465 3.487 4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.888 2.897 3.162 1.00 0.00 H new ATOM 145 N SER A 31 -8.553 8.586 3.215 1.00 0.00 N ATOM 146 CA SER A 31 -9.228 9.722 3.829 1.00 0.00 C ATOM 147 C SER A 31 -9.156 10.964 2.939 1.00 0.00 C ATOM 148 O SER A 31 -10.007 11.848 3.024 1.00 0.00 O ATOM 149 CB SER A 31 -8.608 10.029 5.193 1.00 0.00 C ATOM 150 OG SER A 31 -8.722 8.924 6.077 1.00 0.00 O ATOM 0 H SER A 31 -7.697 8.300 3.689 1.00 0.00 H new ATOM 0 HA SER A 31 -10.277 9.455 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.557 10.288 5.066 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.100 10.898 5.630 1.00 0.00 H new ATOM 0 HG SER A 31 -7.877 8.428 6.091 1.00 0.00 H new ATOM 156 N HIS A 32 -8.146 11.021 2.080 1.00 0.00 N ATOM 157 CA HIS A 32 -7.933 12.187 1.231 1.00 0.00 C ATOM 158 C HIS A 32 -8.775 12.107 -0.042 1.00 0.00 C ATOM 159 O HIS A 32 -9.223 13.130 -0.558 1.00 0.00 O ATOM 160 CB HIS A 32 -6.446 12.323 0.877 1.00 0.00 C ATOM 161 CG HIS A 32 -6.130 13.493 -0.009 1.00 0.00 C ATOM 162 ND1 HIS A 32 -5.627 13.356 -1.284 1.00 0.00 N ATOM 163 CD2 HIS A 32 -6.255 14.826 0.201 1.00 0.00 C ATOM 164 CE1 HIS A 32 -5.454 14.550 -1.818 1.00 0.00 C ATOM 165 NE2 HIS A 32 -5.830 15.461 -0.941 1.00 0.00 N ATOM 0 H HIS A 32 -7.462 10.275 1.953 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.248 13.070 1.788 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.871 12.414 1.799 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.116 11.408 0.384 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.621 15.301 1.099 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.069 14.748 -2.807 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.809 16.470 -1.087 1.00 0.00 H new ATOM 174 N PHE A 33 -8.986 10.900 -0.547 1.00 0.00 N ATOM 175 CA PHE A 33 -9.710 10.728 -1.802 1.00 0.00 C ATOM 176 C PHE A 33 -11.159 10.305 -1.571 1.00 0.00 C ATOM 177 O PHE A 33 -11.932 10.219 -2.523 1.00 0.00 O ATOM 178 CB PHE A 33 -9.003 9.703 -2.695 1.00 0.00 C ATOM 179 CG PHE A 33 -7.647 10.144 -3.175 1.00 0.00 C ATOM 180 CD1 PHE A 33 -7.525 11.159 -4.110 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.496 9.538 -2.697 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.281 11.562 -4.558 1.00 0.00 C ATOM 183 CE2 PHE A 33 -5.250 9.936 -3.141 1.00 0.00 C ATOM 184 CZ PHE A 33 -5.141 10.949 -4.073 1.00 0.00 C ATOM 0 H PHE A 33 -8.671 10.032 -0.114 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.720 11.696 -2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.896 8.768 -2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.633 9.493 -3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.412 11.641 -4.493 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.574 8.745 -1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.200 12.355 -5.286 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.361 9.455 -2.759 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.168 11.261 -4.422 1.00 0.00 H new ATOM 194 N LYS A 34 -11.516 10.056 -0.309 1.00 0.00 N ATOM 195 CA LYS A 34 -12.871 9.617 0.045 1.00 0.00 C ATOM 196 C LYS A 34 -13.221 8.319 -0.674 1.00 0.00 C ATOM 197 O LYS A 34 -14.294 8.191 -1.267 1.00 0.00 O ATOM 198 CB LYS A 34 -13.911 10.695 -0.292 1.00 0.00 C ATOM 199 CG LYS A 34 -14.210 11.663 0.843 1.00 0.00 C ATOM 200 CD LYS A 34 -12.975 12.427 1.291 1.00 0.00 C ATOM 201 CE LYS A 34 -13.336 13.537 2.265 1.00 0.00 C ATOM 202 NZ LYS A 34 -14.027 13.019 3.477 1.00 0.00 N ATOM 0 H LYS A 34 -10.886 10.151 0.487 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.890 9.444 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.560 11.263 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.839 10.206 -0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.975 12.370 0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.620 11.112 1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.271 11.741 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.472 12.852 0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.430 14.065 2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.978 14.262 1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.163 13.794 4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.952 12.628 3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.449 12.273 3.914 1.00 0.00 H new ATOM 216 N LEU A 35 -12.313 7.356 -0.603 1.00 0.00 N ATOM 217 CA LEU A 35 -12.489 6.091 -1.305 1.00 0.00 C ATOM 218 C LEU A 35 -13.643 5.286 -0.716 1.00 0.00 C ATOM 219 O LEU A 35 -13.757 5.136 0.502 1.00 0.00 O ATOM 220 CB LEU A 35 -11.194 5.280 -1.270 1.00 0.00 C ATOM 221 CG LEU A 35 -10.018 5.922 -2.010 1.00 0.00 C ATOM 222 CD1 LEU A 35 -8.772 5.072 -1.868 1.00 0.00 C ATOM 223 CD2 LEU A 35 -10.358 6.124 -3.480 1.00 0.00 C ATOM 0 H LEU A 35 -11.448 7.426 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.736 6.313 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.908 5.121 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.385 4.297 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.823 6.897 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.947 5.544 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.515 4.976 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.956 4.083 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.510 6.581 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.580 5.160 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.228 6.775 -3.566 1.00 0.00 H new ATOM 235 N VAL A 36 -14.494 4.773 -1.595 1.00 0.00 N ATOM 236 CA VAL A 36 -15.677 4.032 -1.183 1.00 0.00 C ATOM 237 C VAL A 36 -15.312 2.592 -0.839 1.00 0.00 C ATOM 238 O VAL A 36 -14.698 1.889 -1.641 1.00 0.00 O ATOM 239 CB VAL A 36 -16.754 4.039 -2.291 1.00 0.00 C ATOM 240 CG1 VAL A 36 -18.014 3.317 -1.831 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.075 5.465 -2.717 1.00 0.00 C ATOM 0 H VAL A 36 -14.385 4.858 -2.606 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.082 4.524 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.356 3.504 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.756 3.336 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -17.772 2.283 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.417 3.815 -0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.835 5.449 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.447 6.026 -1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.173 5.942 -3.099 1.00 0.00 H new ATOM 251 N LYS A 37 -15.684 2.162 0.357 1.00 0.00 N ATOM 252 CA LYS A 37 -15.389 0.811 0.805 1.00 0.00 C ATOM 253 C LYS A 37 -16.452 -0.161 0.308 1.00 0.00 C ATOM 254 O LYS A 37 -17.642 0.002 0.587 1.00 0.00 O ATOM 255 CB LYS A 37 -15.296 0.766 2.332 1.00 0.00 C ATOM 256 CG LYS A 37 -14.968 -0.611 2.886 1.00 0.00 C ATOM 257 CD LYS A 37 -14.641 -0.549 4.367 1.00 0.00 C ATOM 258 CE LYS A 37 -14.370 -1.931 4.935 1.00 0.00 C ATOM 259 NZ LYS A 37 -15.619 -2.716 5.133 1.00 0.00 N ATOM 0 H LYS A 37 -16.191 2.730 1.035 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.427 0.511 0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.533 1.471 2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.243 1.101 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.814 -1.280 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.122 -1.031 2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.769 0.087 4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.470 -0.089 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.705 -2.474 4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.850 -1.834 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.379 -3.712 5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.142 -2.337 5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.211 -2.648 4.280 1.00 0.00 H new ATOM 273 N VAL A 38 -16.012 -1.163 -0.437 1.00 0.00 N ATOM 274 CA VAL A 38 -16.913 -2.162 -0.991 1.00 0.00 C ATOM 275 C VAL A 38 -17.217 -3.242 0.044 1.00 0.00 C ATOM 276 O VAL A 38 -18.377 -3.567 0.300 1.00 0.00 O ATOM 277 CB VAL A 38 -16.320 -2.819 -2.258 1.00 0.00 C ATOM 278 CG1 VAL A 38 -17.296 -3.822 -2.860 1.00 0.00 C ATOM 279 CG2 VAL A 38 -15.941 -1.760 -3.282 1.00 0.00 C ATOM 0 H VAL A 38 -15.030 -1.306 -0.673 1.00 0.00 H new ATOM 0 HA VAL A 38 -17.835 -1.650 -1.265 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.418 -3.358 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -16.854 -4.270 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.512 -4.602 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -18.221 -3.312 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.525 -2.242 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.827 -1.190 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.198 -1.088 -2.852 1.00 0.00 H new ATOM 289 N GLY A 39 -16.165 -3.785 0.646 1.00 0.00 N ATOM 290 CA GLY A 39 -16.332 -4.824 1.643 1.00 0.00 C ATOM 291 C GLY A 39 -15.007 -5.276 2.223 1.00 0.00 C ATOM 292 O GLY A 39 -13.956 -5.028 1.638 1.00 0.00 O ATOM 0 H GLY A 39 -15.197 -3.523 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.972 -4.456 2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.841 -5.677 1.195 1.00 0.00 H new ATOM 296 N THR A 40 -15.053 -5.919 3.376 1.00 0.00 N ATOM 297 CA THR A 40 -13.848 -6.431 4.013 1.00 0.00 C ATOM 298 C THR A 40 -13.614 -7.894 3.630 1.00 0.00 C ATOM 299 O THR A 40 -14.547 -8.700 3.628 1.00 0.00 O ATOM 300 CB THR A 40 -13.941 -6.311 5.548 1.00 0.00 C ATOM 301 OG1 THR A 40 -14.259 -4.961 5.916 1.00 0.00 O ATOM 302 CG2 THR A 40 -12.632 -6.715 6.211 1.00 0.00 C ATOM 0 H THR A 40 -15.913 -6.101 3.893 1.00 0.00 H new ATOM 0 HA THR A 40 -13.009 -5.830 3.662 1.00 0.00 H new ATOM 0 HB THR A 40 -14.728 -6.984 5.889 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.900 -4.966 6.657 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.728 -6.620 7.293 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.399 -7.749 5.956 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.830 -6.065 5.859 1.00 0.00 H new ATOM 310 N ILE A 41 -12.375 -8.223 3.293 1.00 0.00 N ATOM 311 CA ILE A 41 -12.013 -9.588 2.939 1.00 0.00 C ATOM 312 C ILE A 41 -11.103 -10.188 4.004 1.00 0.00 C ATOM 313 O ILE A 41 -10.302 -9.481 4.621 1.00 0.00 O ATOM 314 CB ILE A 41 -11.316 -9.666 1.561 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.086 -8.750 1.521 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.295 -9.305 0.454 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.309 -8.822 0.223 1.00 0.00 C ATOM 0 H ILE A 41 -11.601 -7.560 3.257 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.939 -10.160 2.880 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.977 -10.690 1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.406 -7.721 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.423 -9.013 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.791 -9.364 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.134 -10.001 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.663 -8.291 0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.455 -8.147 0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.957 -9.841 0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.955 -8.530 -0.605 1.00 0.00 H new ATOM 329 N ASN A 42 -11.235 -11.486 4.218 1.00 0.00 N ATOM 330 CA ASN A 42 -10.467 -12.174 5.247 1.00 0.00 C ATOM 331 C ASN A 42 -9.646 -13.305 4.651 1.00 0.00 C ATOM 332 O ASN A 42 -10.194 -14.308 4.183 1.00 0.00 O ATOM 333 CB ASN A 42 -11.399 -12.736 6.326 1.00 0.00 C ATOM 334 CG ASN A 42 -11.966 -11.665 7.241 1.00 0.00 C ATOM 335 OD1 ASN A 42 -12.980 -11.037 6.933 1.00 0.00 O ATOM 336 ND2 ASN A 42 -11.339 -11.477 8.390 1.00 0.00 N ATOM 0 H ASN A 42 -11.868 -12.088 3.692 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.790 -11.447 5.696 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.221 -13.268 5.847 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.853 -13.465 6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.693 -10.792 9.058 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.502 -12.017 8.608 1.00 0.00 H new ATOM 343 N VAL A 43 -8.333 -13.143 4.654 1.00 0.00 N ATOM 344 CA VAL A 43 -7.443 -14.200 4.209 1.00 0.00 C ATOM 345 C VAL A 43 -6.844 -14.908 5.415 1.00 0.00 C ATOM 346 O VAL A 43 -5.917 -14.406 6.048 1.00 0.00 O ATOM 347 CB VAL A 43 -6.308 -13.659 3.313 1.00 0.00 C ATOM 348 CG1 VAL A 43 -5.403 -14.788 2.847 1.00 0.00 C ATOM 349 CG2 VAL A 43 -6.877 -12.905 2.121 1.00 0.00 C ATOM 0 H VAL A 43 -7.862 -12.291 4.959 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.032 -14.900 3.616 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.711 -12.965 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.611 -14.383 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.962 -15.282 3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.987 -15.510 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.060 -12.532 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.502 -13.575 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.477 -12.066 2.474 1.00 0.00 H new ATOM 359 N SER A 44 -7.392 -16.062 5.737 1.00 0.00 N ATOM 360 CA SER A 44 -6.907 -16.856 6.847 1.00 0.00 C ATOM 361 C SER A 44 -6.491 -18.232 6.351 1.00 0.00 C ATOM 362 O SER A 44 -7.327 -19.108 6.135 1.00 0.00 O ATOM 363 CB SER A 44 -7.988 -16.957 7.929 1.00 0.00 C ATOM 364 OG SER A 44 -9.262 -17.203 7.349 1.00 0.00 O ATOM 0 H SER A 44 -8.182 -16.474 5.240 1.00 0.00 H new ATOM 0 HA SER A 44 -6.034 -16.375 7.287 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.739 -17.759 8.624 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.019 -16.033 8.506 1.00 0.00 H new ATOM 0 HG SER A 44 -9.190 -17.931 6.697 1.00 0.00 H new ATOM 370 N GLN A 45 -5.195 -18.404 6.139 1.00 0.00 N ATOM 371 CA GLN A 45 -4.681 -19.626 5.544 1.00 0.00 C ATOM 372 C GLN A 45 -3.633 -20.276 6.434 1.00 0.00 C ATOM 373 O GLN A 45 -3.013 -19.616 7.272 1.00 0.00 O ATOM 374 CB GLN A 45 -4.110 -19.336 4.155 1.00 0.00 C ATOM 375 CG GLN A 45 -5.168 -18.882 3.159 1.00 0.00 C ATOM 376 CD GLN A 45 -6.275 -19.906 2.985 1.00 0.00 C ATOM 377 OE1 GLN A 45 -6.042 -21.109 3.101 1.00 0.00 O ATOM 378 NE2 GLN A 45 -7.486 -19.438 2.722 1.00 0.00 N ATOM 0 H GLN A 45 -4.481 -17.713 6.370 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.508 -20.329 5.443 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.343 -18.566 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.622 -20.233 3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.599 -17.939 3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.697 -18.692 2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.636 -18.433 2.634 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.268 -20.083 2.608 1.00 0.00 H new ATOM 387 N SER A 46 -3.436 -21.570 6.234 1.00 0.00 N ATOM 388 CA SER A 46 -2.522 -22.366 7.045 1.00 0.00 C ATOM 389 C SER A 46 -1.077 -22.229 6.558 1.00 0.00 C ATOM 390 O SER A 46 -0.280 -23.164 6.661 1.00 0.00 O ATOM 391 CB SER A 46 -2.963 -23.825 6.977 1.00 0.00 C ATOM 392 OG SER A 46 -4.369 -23.926 7.138 1.00 0.00 O ATOM 0 H SER A 46 -3.907 -22.102 5.502 1.00 0.00 H new ATOM 0 HA SER A 46 -2.553 -22.007 8.074 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.668 -24.256 6.020 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.460 -24.400 7.754 1.00 0.00 H new ATOM 0 HG SER A 46 -4.637 -24.867 7.091 1.00 0.00 H new ATOM 398 N GLY A 47 -0.738 -21.052 6.053 1.00 0.00 N ATOM 399 CA GLY A 47 0.570 -20.849 5.471 1.00 0.00 C ATOM 400 C GLY A 47 0.652 -21.452 4.087 1.00 0.00 C ATOM 401 O GLY A 47 -0.363 -21.898 3.547 1.00 0.00 O ATOM 0 H GLY A 47 -1.347 -20.234 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.786 -19.782 5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.330 -21.297 6.111 1.00 0.00 H new ATOM 405 N GLY A 48 1.844 -21.459 3.509 1.00 0.00 N ATOM 406 CA GLY A 48 2.035 -22.024 2.184 1.00 0.00 C ATOM 407 C GLY A 48 1.449 -21.154 1.088 1.00 0.00 C ATOM 408 O GLY A 48 2.180 -20.600 0.265 1.00 0.00 O ATOM 0 H GLY A 48 2.690 -21.081 3.936 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.101 -22.162 2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.574 -23.011 2.144 1.00 0.00 H new ATOM 412 N GLN A 49 0.127 -21.021 1.097 1.00 0.00 N ATOM 413 CA GLN A 49 -0.586 -20.207 0.120 1.00 0.00 C ATOM 414 C GLN A 49 -0.206 -18.734 0.264 1.00 0.00 C ATOM 415 O GLN A 49 -0.456 -17.926 -0.630 1.00 0.00 O ATOM 416 CB GLN A 49 -2.099 -20.393 0.274 1.00 0.00 C ATOM 417 CG GLN A 49 -2.544 -21.842 0.117 1.00 0.00 C ATOM 418 CD GLN A 49 -4.030 -21.987 -0.160 1.00 0.00 C ATOM 419 OE1 GLN A 49 -4.825 -21.057 0.340 1.00 0.00 O flip ATOM 420 NE2 GLN A 49 -4.458 -22.932 -0.821 1.00 0.00 N flip ATOM 0 H GLN A 49 -0.479 -21.474 1.781 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.298 -20.535 -0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.405 -20.030 1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.611 -19.780 -0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.983 -22.301 -0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.295 -22.392 1.025 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.812 -23.630 -1.190 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.459 -23.018 -1.000 1.00 0.00 H new ATOM 429 N ILE A 50 0.360 -18.397 1.418 1.00 0.00 N ATOM 430 CA ILE A 50 0.976 -17.095 1.639 1.00 0.00 C ATOM 431 C ILE A 50 2.345 -17.303 2.273 1.00 0.00 C ATOM 432 O ILE A 50 2.446 -17.619 3.459 1.00 0.00 O ATOM 433 CB ILE A 50 0.135 -16.155 2.552 1.00 0.00 C ATOM 434 CG1 ILE A 50 -1.193 -15.761 1.897 1.00 0.00 C ATOM 435 CG2 ILE A 50 0.926 -14.898 2.899 1.00 0.00 C ATOM 436 CD1 ILE A 50 -2.265 -16.822 1.987 1.00 0.00 C ATOM 0 H ILE A 50 0.404 -19.019 2.225 1.00 0.00 H new ATOM 0 HA ILE A 50 1.049 -16.608 0.667 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.088 -16.709 3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.560 -14.848 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.013 -15.530 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.322 -14.253 3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.840 -15.176 3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.182 -14.365 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.172 -16.465 1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.921 -17.730 1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.476 -17.038 3.034 1.00 0.00 H new ATOM 448 N SER A 51 3.394 -17.180 1.474 1.00 0.00 N ATOM 449 CA SER A 51 4.748 -17.332 1.983 1.00 0.00 C ATOM 450 C SER A 51 5.551 -16.060 1.743 1.00 0.00 C ATOM 451 O SER A 51 6.486 -15.746 2.481 1.00 0.00 O ATOM 452 CB SER A 51 5.430 -18.520 1.304 1.00 0.00 C ATOM 453 OG SER A 51 4.643 -19.695 1.427 1.00 0.00 O ATOM 0 H SER A 51 3.335 -16.977 0.476 1.00 0.00 H new ATOM 0 HA SER A 51 4.700 -17.515 3.056 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.594 -18.296 0.250 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.410 -18.686 1.751 1.00 0.00 H new ATOM 0 HG SER A 51 3.852 -19.621 0.853 1.00 0.00 H new ATOM 459 N SER A 52 5.164 -15.328 0.710 1.00 0.00 N ATOM 460 CA SER A 52 5.864 -14.121 0.317 1.00 0.00 C ATOM 461 C SER A 52 4.848 -12.998 0.076 1.00 0.00 C ATOM 462 O SER A 52 3.659 -13.271 -0.117 1.00 0.00 O ATOM 463 CB SER A 52 6.674 -14.413 -0.956 1.00 0.00 C ATOM 464 OG SER A 52 7.829 -13.593 -1.051 1.00 0.00 O ATOM 0 H SER A 52 4.360 -15.554 0.125 1.00 0.00 H new ATOM 0 HA SER A 52 6.546 -13.801 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.972 -15.461 -0.964 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.044 -14.254 -1.831 1.00 0.00 H new ATOM 0 HG SER A 52 7.712 -12.946 -1.777 1.00 0.00 H new ATOM 470 N PRO A 53 5.285 -11.720 0.109 1.00 0.00 N ATOM 471 CA PRO A 53 4.412 -10.571 -0.170 1.00 0.00 C ATOM 472 C PRO A 53 3.623 -10.724 -1.472 1.00 0.00 C ATOM 473 O PRO A 53 2.509 -10.214 -1.595 1.00 0.00 O ATOM 474 CB PRO A 53 5.387 -9.399 -0.275 1.00 0.00 C ATOM 475 CG PRO A 53 6.539 -9.794 0.580 1.00 0.00 C ATOM 476 CD PRO A 53 6.654 -11.289 0.457 1.00 0.00 C ATOM 0 HA PRO A 53 3.653 -10.449 0.603 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.697 -9.232 -1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.932 -8.472 0.075 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.455 -9.304 0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.375 -9.499 1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.371 -11.573 -0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.991 -11.742 1.389 1.00 0.00 H new ATOM 484 N SER A 54 4.206 -11.427 -2.438 1.00 0.00 N ATOM 485 CA SER A 54 3.539 -11.687 -3.705 1.00 0.00 C ATOM 486 C SER A 54 2.260 -12.501 -3.493 1.00 0.00 C ATOM 487 O SER A 54 1.218 -12.184 -4.067 1.00 0.00 O ATOM 488 CB SER A 54 4.481 -12.424 -4.660 1.00 0.00 C ATOM 489 OG SER A 54 3.906 -12.547 -5.949 1.00 0.00 O ATOM 0 H SER A 54 5.141 -11.827 -2.365 1.00 0.00 H new ATOM 0 HA SER A 54 3.265 -10.729 -4.147 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.427 -11.886 -4.730 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.706 -13.414 -4.263 1.00 0.00 H new ATOM 0 HG SER A 54 4.528 -13.020 -6.541 1.00 0.00 H new ATOM 495 N ASP A 55 2.338 -13.529 -2.647 1.00 0.00 N ATOM 496 CA ASP A 55 1.178 -14.372 -2.350 1.00 0.00 C ATOM 497 C ASP A 55 0.100 -13.542 -1.679 1.00 0.00 C ATOM 498 O ASP A 55 -1.095 -13.723 -1.925 1.00 0.00 O ATOM 499 CB ASP A 55 1.547 -15.530 -1.418 1.00 0.00 C ATOM 500 CG ASP A 55 2.664 -16.403 -1.943 1.00 0.00 C ATOM 501 OD1 ASP A 55 2.502 -17.010 -3.018 1.00 0.00 O ATOM 502 OD2 ASP A 55 3.714 -16.486 -1.269 1.00 0.00 O ATOM 0 H ASP A 55 3.190 -13.798 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 55 0.819 -14.780 -3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.839 -15.125 -0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.664 -16.147 -1.252 1.00 0.00 H new ATOM 507 N LEU A 56 0.541 -12.636 -0.818 1.00 0.00 N ATOM 508 CA LEU A 56 -0.362 -11.742 -0.113 1.00 0.00 C ATOM 509 C LEU A 56 -1.060 -10.809 -1.101 1.00 0.00 C ATOM 510 O LEU A 56 -2.286 -10.708 -1.109 1.00 0.00 O ATOM 511 CB LEU A 56 0.415 -10.936 0.931 1.00 0.00 C ATOM 512 CG LEU A 56 -0.444 -10.142 1.916 1.00 0.00 C ATOM 513 CD1 LEU A 56 -1.313 -11.081 2.739 1.00 0.00 C ATOM 514 CD2 LEU A 56 0.433 -9.293 2.824 1.00 0.00 C ATOM 0 H LEU A 56 1.526 -12.501 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.123 -12.333 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.048 -11.620 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.077 -10.243 0.412 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.095 -9.477 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.918 -10.500 3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.966 -11.647 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.678 -11.769 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.195 -8.735 3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.109 -9.939 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.015 -8.596 2.220 1.00 0.00 H new ATOM 526 N ARG A 57 -0.270 -10.147 -1.946 1.00 0.00 N ATOM 527 CA ARG A 57 -0.811 -9.251 -2.966 1.00 0.00 C ATOM 528 C ARG A 57 -1.766 -10.005 -3.884 1.00 0.00 C ATOM 529 O ARG A 57 -2.836 -9.499 -4.227 1.00 0.00 O ATOM 530 CB ARG A 57 0.317 -8.623 -3.795 1.00 0.00 C ATOM 531 CG ARG A 57 -0.181 -7.710 -4.909 1.00 0.00 C ATOM 532 CD ARG A 57 0.967 -7.144 -5.734 1.00 0.00 C ATOM 533 NE ARG A 57 0.488 -6.269 -6.806 1.00 0.00 N ATOM 534 CZ ARG A 57 1.248 -5.364 -7.427 1.00 0.00 C ATOM 535 NH1 ARG A 57 2.531 -5.238 -7.106 1.00 0.00 N ATOM 536 NH2 ARG A 57 0.726 -4.595 -8.374 1.00 0.00 N ATOM 0 H ARG A 57 0.748 -10.215 -1.944 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.357 -8.455 -2.459 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.969 -8.053 -3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.922 -9.418 -4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.856 -8.266 -5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.756 -6.891 -4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.641 -6.586 -5.084 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.544 -7.963 -6.164 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.486 -6.356 -7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.937 -5.833 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.110 -4.546 -7.582 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.257 -4.695 -8.628 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.308 -3.904 -8.848 1.00 0.00 H new ATOM 550 N GLU A 58 -1.362 -11.215 -4.260 1.00 0.00 N ATOM 551 CA GLU A 58 -2.162 -12.089 -5.108 1.00 0.00 C ATOM 552 C GLU A 58 -3.603 -12.170 -4.621 1.00 0.00 C ATOM 553 O GLU A 58 -4.521 -11.691 -5.282 1.00 0.00 O ATOM 554 CB GLU A 58 -1.554 -13.495 -5.120 1.00 0.00 C ATOM 555 CG GLU A 58 -2.373 -14.512 -5.892 1.00 0.00 C ATOM 556 CD GLU A 58 -1.974 -15.937 -5.577 1.00 0.00 C ATOM 557 OE1 GLU A 58 -0.959 -16.410 -6.128 1.00 0.00 O ATOM 558 OE2 GLU A 58 -2.680 -16.591 -4.775 1.00 0.00 O ATOM 0 H GLU A 58 -0.466 -11.617 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.162 -11.671 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.555 -13.444 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.440 -13.840 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.429 -14.374 -5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.255 -14.333 -6.961 1.00 0.00 H new ATOM 565 N LYS A 59 -3.788 -12.747 -3.444 1.00 0.00 N ATOM 566 CA LYS A 59 -5.119 -13.020 -2.931 1.00 0.00 C ATOM 567 C LYS A 59 -5.857 -11.752 -2.534 1.00 0.00 C ATOM 568 O LYS A 59 -7.053 -11.637 -2.778 1.00 0.00 O ATOM 569 CB LYS A 59 -5.035 -13.990 -1.760 1.00 0.00 C ATOM 570 CG LYS A 59 -4.565 -15.364 -2.190 1.00 0.00 C ATOM 571 CD LYS A 59 -4.409 -16.308 -1.021 1.00 0.00 C ATOM 572 CE LYS A 59 -4.087 -17.708 -1.508 1.00 0.00 C ATOM 573 NZ LYS A 59 -2.826 -17.750 -2.305 1.00 0.00 N ATOM 0 H LYS A 59 -3.030 -13.036 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.696 -13.477 -3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.352 -13.593 -1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.014 -14.074 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.277 -15.783 -2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.612 -15.273 -2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.615 -15.954 -0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.327 -16.323 -0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.997 -18.377 -0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.912 -18.078 -2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.654 -18.722 -2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.914 -17.119 -3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.030 -17.438 -1.713 1.00 0.00 H new ATOM 587 N LEU A 60 -5.153 -10.795 -1.947 1.00 0.00 N ATOM 588 CA LEU A 60 -5.791 -9.553 -1.528 1.00 0.00 C ATOM 589 C LEU A 60 -6.368 -8.804 -2.724 1.00 0.00 C ATOM 590 O LEU A 60 -7.459 -8.246 -2.645 1.00 0.00 O ATOM 591 CB LEU A 60 -4.810 -8.661 -0.771 1.00 0.00 C ATOM 592 CG LEU A 60 -4.340 -9.212 0.575 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.372 -8.243 1.228 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.524 -9.484 1.493 1.00 0.00 C ATOM 0 H LEU A 60 -4.153 -10.851 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.609 -9.814 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.937 -8.490 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.278 -7.691 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.825 -10.157 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.044 -8.646 2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.508 -8.100 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.868 -7.286 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.164 -9.875 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.071 -8.557 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.185 -10.214 1.027 1.00 0.00 H new ATOM 606 N SER A 61 -5.647 -8.810 -3.837 1.00 0.00 N ATOM 607 CA SER A 61 -6.126 -8.142 -5.036 1.00 0.00 C ATOM 608 C SER A 61 -7.153 -9.013 -5.755 1.00 0.00 C ATOM 609 O SER A 61 -8.101 -8.502 -6.345 1.00 0.00 O ATOM 610 CB SER A 61 -4.964 -7.791 -5.971 1.00 0.00 C ATOM 611 OG SER A 61 -4.265 -8.949 -6.399 1.00 0.00 O ATOM 0 H SER A 61 -4.739 -9.265 -3.933 1.00 0.00 H new ATOM 0 HA SER A 61 -6.608 -7.211 -4.738 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.346 -7.255 -6.840 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.275 -7.119 -5.459 1.00 0.00 H new ATOM 0 HG SER A 61 -3.511 -9.118 -5.796 1.00 0.00 H new ATOM 617 N GLU A 62 -6.964 -10.329 -5.685 1.00 0.00 N ATOM 618 CA GLU A 62 -7.886 -11.274 -6.303 1.00 0.00 C ATOM 619 C GLU A 62 -9.264 -11.177 -5.652 1.00 0.00 C ATOM 620 O GLU A 62 -10.278 -11.059 -6.337 1.00 0.00 O ATOM 621 CB GLU A 62 -7.346 -12.701 -6.175 1.00 0.00 C ATOM 622 CG GLU A 62 -8.137 -13.733 -6.963 1.00 0.00 C ATOM 623 CD GLU A 62 -7.981 -13.569 -8.461 1.00 0.00 C ATOM 624 OE1 GLU A 62 -8.680 -12.720 -9.051 1.00 0.00 O ATOM 625 OE2 GLU A 62 -7.149 -14.286 -9.056 1.00 0.00 O ATOM 0 H GLU A 62 -6.177 -10.764 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.980 -11.025 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.309 -12.718 -6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.344 -12.985 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.811 -14.732 -6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.192 -13.654 -6.701 1.00 0.00 H new ATOM 632 N LEU A 63 -9.292 -11.211 -4.324 1.00 0.00 N ATOM 633 CA LEU A 63 -10.549 -11.145 -3.591 1.00 0.00 C ATOM 634 C LEU A 63 -11.178 -9.761 -3.736 1.00 0.00 C ATOM 635 O LEU A 63 -12.399 -9.627 -3.773 1.00 0.00 O ATOM 636 CB LEU A 63 -10.343 -11.476 -2.106 1.00 0.00 C ATOM 637 CG LEU A 63 -9.585 -12.778 -1.809 1.00 0.00 C ATOM 638 CD1 LEU A 63 -9.541 -13.029 -0.311 1.00 0.00 C ATOM 639 CD2 LEU A 63 -10.209 -13.967 -2.527 1.00 0.00 C ATOM 0 H LEU A 63 -8.462 -11.284 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.223 -11.888 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.804 -10.650 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.320 -11.530 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.567 -12.664 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.001 -13.955 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.033 -12.200 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.557 -13.112 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.646 -14.870 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.242 -14.088 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.187 -13.795 -3.603 1.00 0.00 H new ATOM 651 N ALA A 64 -10.337 -8.733 -3.827 1.00 0.00 N ATOM 652 CA ALA A 64 -10.816 -7.372 -4.055 1.00 0.00 C ATOM 653 C ALA A 64 -11.443 -7.258 -5.439 1.00 0.00 C ATOM 654 O ALA A 64 -12.492 -6.633 -5.616 1.00 0.00 O ATOM 655 CB ALA A 64 -9.679 -6.370 -3.903 1.00 0.00 C ATOM 0 H ALA A 64 -9.324 -8.816 -3.747 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.576 -7.144 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.056 -5.362 -4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.269 -6.435 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.897 -6.594 -4.628 1.00 0.00 H new ATOM 661 N ASP A 65 -10.792 -7.879 -6.411 1.00 0.00 N ATOM 662 CA ASP A 65 -11.297 -7.939 -7.777 1.00 0.00 C ATOM 663 C ASP A 65 -12.611 -8.711 -7.818 1.00 0.00 C ATOM 664 O ASP A 65 -13.540 -8.347 -8.541 1.00 0.00 O ATOM 665 CB ASP A 65 -10.257 -8.610 -8.676 1.00 0.00 C ATOM 666 CG ASP A 65 -10.712 -8.751 -10.112 1.00 0.00 C ATOM 667 OD1 ASP A 65 -11.317 -9.791 -10.447 1.00 0.00 O ATOM 668 OD2 ASP A 65 -10.440 -7.840 -10.921 1.00 0.00 O ATOM 0 H ASP A 65 -9.900 -8.355 -6.277 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.481 -6.927 -8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.335 -8.030 -8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.024 -9.597 -8.277 1.00 0.00 H new ATOM 673 N ALA A 66 -12.680 -9.772 -7.022 1.00 0.00 N ATOM 674 CA ALA A 66 -13.885 -10.584 -6.906 1.00 0.00 C ATOM 675 C ALA A 66 -15.026 -9.792 -6.271 1.00 0.00 C ATOM 676 O ALA A 66 -16.191 -9.972 -6.631 1.00 0.00 O ATOM 677 CB ALA A 66 -13.597 -11.839 -6.097 1.00 0.00 C ATOM 0 H ALA A 66 -11.905 -10.092 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.196 -10.873 -7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.505 -12.437 -6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.821 -12.422 -6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.258 -11.559 -5.099 1.00 0.00 H new ATOM 683 N LYS A 67 -14.687 -8.929 -5.320 1.00 0.00 N ATOM 684 CA LYS A 67 -15.669 -8.051 -4.691 1.00 0.00 C ATOM 685 C LYS A 67 -16.159 -6.997 -5.675 1.00 0.00 C ATOM 686 O LYS A 67 -17.350 -6.685 -5.732 1.00 0.00 O ATOM 687 CB LYS A 67 -15.070 -7.361 -3.461 1.00 0.00 C ATOM 688 CG LYS A 67 -14.859 -8.285 -2.273 1.00 0.00 C ATOM 689 CD LYS A 67 -16.182 -8.820 -1.750 1.00 0.00 C ATOM 690 CE LYS A 67 -15.995 -9.656 -0.496 1.00 0.00 C ATOM 691 NZ LYS A 67 -17.291 -10.160 0.029 1.00 0.00 N ATOM 0 H LYS A 67 -13.737 -8.818 -4.966 1.00 0.00 H new ATOM 0 HA LYS A 67 -16.513 -8.666 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.114 -6.917 -3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -15.726 -6.544 -3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.218 -9.117 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.342 -7.747 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.852 -7.987 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.661 -9.423 -2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.339 -10.499 -0.715 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.501 -9.058 0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.122 -10.726 0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.908 -9.356 0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.751 -10.752 -0.692 1.00 0.00 H new ATOM 705 N GLY A 68 -15.231 -6.452 -6.444 1.00 0.00 N ATOM 706 CA GLY A 68 -15.571 -5.425 -7.405 1.00 0.00 C ATOM 707 C GLY A 68 -14.892 -4.109 -7.097 1.00 0.00 C ATOM 708 O GLY A 68 -15.476 -3.043 -7.291 1.00 0.00 O ATOM 0 H GLY A 68 -14.243 -6.704 -6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.285 -5.755 -8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.651 -5.281 -7.414 1.00 0.00 H new ATOM 712 N GLY A 69 -13.660 -4.183 -6.609 1.00 0.00 N ATOM 713 CA GLY A 69 -12.910 -2.986 -6.296 1.00 0.00 C ATOM 714 C GLY A 69 -11.554 -2.986 -6.967 1.00 0.00 C ATOM 715 O GLY A 69 -11.147 -3.993 -7.547 1.00 0.00 O ATOM 0 H GLY A 69 -13.166 -5.056 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.474 -2.109 -6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.782 -2.908 -5.216 1.00 0.00 H new ATOM 719 N LYS A 70 -10.855 -1.864 -6.895 1.00 0.00 N ATOM 720 CA LYS A 70 -9.546 -1.736 -7.527 1.00 0.00 C ATOM 721 C LYS A 70 -8.481 -1.358 -6.506 1.00 0.00 C ATOM 722 O LYS A 70 -7.298 -1.245 -6.831 1.00 0.00 O ATOM 723 CB LYS A 70 -9.598 -0.688 -8.641 1.00 0.00 C ATOM 724 CG LYS A 70 -10.417 -1.120 -9.847 1.00 0.00 C ATOM 725 CD LYS A 70 -10.627 0.030 -10.822 1.00 0.00 C ATOM 726 CE LYS A 70 -11.537 1.097 -10.233 1.00 0.00 C ATOM 727 NZ LYS A 70 -11.740 2.242 -11.155 1.00 0.00 N ATOM 0 H LYS A 70 -11.170 -1.027 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.281 -2.702 -7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.016 0.235 -8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.582 -0.463 -8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.912 -1.941 -10.355 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.384 -1.497 -9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.664 0.472 -11.079 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.060 -0.350 -11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.503 0.653 -9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.110 1.459 -9.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.192 3.025 -10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.821 2.556 -11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.350 1.948 -11.944 1.00 0.00 H new ATOM 741 N TYR A 71 -8.910 -1.157 -5.270 1.00 0.00 N ATOM 742 CA TYR A 71 -8.008 -0.772 -4.200 1.00 0.00 C ATOM 743 C TYR A 71 -8.208 -1.691 -3.006 1.00 0.00 C ATOM 744 O TYR A 71 -9.328 -2.119 -2.731 1.00 0.00 O ATOM 745 CB TYR A 71 -8.263 0.680 -3.779 1.00 0.00 C ATOM 746 CG TYR A 71 -8.330 1.651 -4.937 1.00 0.00 C ATOM 747 CD1 TYR A 71 -7.177 2.072 -5.581 1.00 0.00 C ATOM 748 CD2 TYR A 71 -9.550 2.142 -5.386 1.00 0.00 C ATOM 749 CE1 TYR A 71 -7.236 2.952 -6.643 1.00 0.00 C ATOM 750 CE2 TYR A 71 -9.618 3.024 -6.448 1.00 0.00 C ATOM 751 CZ TYR A 71 -8.458 3.426 -7.073 1.00 0.00 C ATOM 752 OH TYR A 71 -8.515 4.300 -8.135 1.00 0.00 O ATOM 0 H TYR A 71 -9.884 -1.255 -4.984 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.983 -0.858 -4.560 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.199 0.728 -3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.472 0.995 -3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.218 1.706 -5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.461 1.829 -4.897 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.328 3.268 -7.136 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.574 3.396 -6.786 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.449 4.538 -8.313 1.00 0.00 H new ATOM 762 N TYR A 72 -7.133 -2.003 -2.307 1.00 0.00 N ATOM 763 CA TYR A 72 -7.226 -2.802 -1.098 1.00 0.00 C ATOM 764 C TYR A 72 -6.418 -2.156 0.018 1.00 0.00 C ATOM 765 O TYR A 72 -5.477 -1.406 -0.238 1.00 0.00 O ATOM 766 CB TYR A 72 -6.773 -4.251 -1.343 1.00 0.00 C ATOM 767 CG TYR A 72 -5.345 -4.403 -1.828 1.00 0.00 C ATOM 768 CD1 TYR A 72 -5.044 -4.368 -3.183 1.00 0.00 C ATOM 769 CD2 TYR A 72 -4.303 -4.597 -0.930 1.00 0.00 C ATOM 770 CE1 TYR A 72 -3.746 -4.520 -3.630 1.00 0.00 C ATOM 771 CE2 TYR A 72 -3.001 -4.748 -1.369 1.00 0.00 C ATOM 772 CZ TYR A 72 -2.728 -4.709 -2.719 1.00 0.00 C ATOM 773 OH TYR A 72 -1.434 -4.859 -3.161 1.00 0.00 O ATOM 0 H TYR A 72 -6.186 -1.716 -2.554 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.272 -2.840 -0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.888 -4.813 -0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.440 -4.705 -2.076 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.838 -4.219 -3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.514 -4.630 0.129 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.529 -4.491 -4.688 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.202 -4.896 -0.658 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.838 -4.982 -2.393 1.00 0.00 H new ATOM 783 N HIS A 73 -6.809 -2.428 1.250 1.00 0.00 N ATOM 784 CA HIS A 73 -6.161 -1.837 2.409 1.00 0.00 C ATOM 785 C HIS A 73 -6.086 -2.841 3.551 1.00 0.00 C ATOM 786 O HIS A 73 -7.105 -3.183 4.147 1.00 0.00 O ATOM 787 CB HIS A 73 -6.938 -0.589 2.852 1.00 0.00 C ATOM 788 CG HIS A 73 -6.475 0.006 4.149 1.00 0.00 C ATOM 789 ND1 HIS A 73 -7.307 0.171 5.239 1.00 0.00 N ATOM 790 CD2 HIS A 73 -5.269 0.494 4.525 1.00 0.00 C ATOM 791 CE1 HIS A 73 -6.634 0.734 6.223 1.00 0.00 C ATOM 792 NE2 HIS A 73 -5.397 0.939 5.817 1.00 0.00 N ATOM 0 H HIS A 73 -7.578 -3.059 1.475 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.145 -1.552 2.137 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.860 0.168 2.072 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.993 -0.847 2.942 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -8.289 -0.101 5.277 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.374 0.527 3.921 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.029 0.985 7.196 1.00 0.00 H new ATOM 801 N ILE A 74 -4.885 -3.319 3.843 1.00 0.00 N ATOM 802 CA ILE A 74 -4.687 -4.227 4.965 1.00 0.00 C ATOM 803 C ILE A 74 -4.836 -3.471 6.281 1.00 0.00 C ATOM 804 O ILE A 74 -4.161 -2.468 6.508 1.00 0.00 O ATOM 805 CB ILE A 74 -3.293 -4.887 4.935 1.00 0.00 C ATOM 806 CG1 ILE A 74 -3.043 -5.569 3.589 1.00 0.00 C ATOM 807 CG2 ILE A 74 -3.166 -5.897 6.067 1.00 0.00 C ATOM 808 CD1 ILE A 74 -1.633 -6.108 3.441 1.00 0.00 C ATOM 0 H ILE A 74 -4.037 -3.095 3.322 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.444 -5.007 4.882 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.542 -4.108 5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.752 -6.388 3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.238 -4.857 2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.178 -6.356 6.036 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.301 -5.391 7.023 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.928 -6.668 5.954 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.524 -6.579 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.919 -5.289 3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.441 -6.844 4.222 1.00 0.00 H new ATOM 820 N ILE A 75 -5.729 -3.940 7.137 1.00 0.00 N ATOM 821 CA ILE A 75 -5.894 -3.339 8.452 1.00 0.00 C ATOM 822 C ILE A 75 -5.233 -4.199 9.517 1.00 0.00 C ATOM 823 O ILE A 75 -4.756 -3.690 10.531 1.00 0.00 O ATOM 824 CB ILE A 75 -7.378 -3.118 8.817 1.00 0.00 C ATOM 825 CG1 ILE A 75 -8.173 -4.422 8.707 1.00 0.00 C ATOM 826 CG2 ILE A 75 -7.981 -2.043 7.930 1.00 0.00 C ATOM 827 CD1 ILE A 75 -9.625 -4.284 9.116 1.00 0.00 C ATOM 0 H ILE A 75 -6.347 -4.729 6.948 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.412 -2.362 8.413 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.430 -2.785 9.854 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.126 -4.780 7.679 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.699 -5.180 9.330 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.028 -1.896 8.197 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.437 -1.109 8.069 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.912 -2.351 6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.125 -5.247 9.012 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.681 -3.956 10.154 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.115 -3.550 8.476 1.00 0.00 H new ATOM 839 N ALA A 76 -5.189 -5.501 9.273 1.00 0.00 N ATOM 840 CA ALA A 76 -4.610 -6.429 10.227 1.00 0.00 C ATOM 841 C ALA A 76 -4.046 -7.659 9.530 1.00 0.00 C ATOM 842 O ALA A 76 -4.782 -8.583 9.188 1.00 0.00 O ATOM 843 CB ALA A 76 -5.647 -6.841 11.264 1.00 0.00 C ATOM 0 H ALA A 76 -5.548 -5.936 8.423 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.788 -5.920 10.731 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.197 -7.537 11.972 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.999 -5.958 11.797 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.488 -7.323 10.766 1.00 0.00 H new ATOM 849 N ALA A 77 -2.746 -7.643 9.286 1.00 0.00 N ATOM 850 CA ALA A 77 -2.048 -8.815 8.784 1.00 0.00 C ATOM 851 C ALA A 77 -1.285 -9.469 9.927 1.00 0.00 C ATOM 852 O ALA A 77 -0.094 -9.220 10.123 1.00 0.00 O ATOM 853 CB ALA A 77 -1.107 -8.448 7.645 1.00 0.00 C ATOM 0 H ALA A 77 -2.150 -6.827 9.428 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.778 -9.520 8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.599 -9.344 7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.679 -8.007 6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.369 -7.729 8.000 1.00 0.00 H new ATOM 859 N ARG A 78 -1.987 -10.284 10.694 1.00 0.00 N ATOM 860 CA ARG A 78 -1.433 -10.847 11.912 1.00 0.00 C ATOM 861 C ARG A 78 -1.077 -12.314 11.718 1.00 0.00 C ATOM 862 O ARG A 78 -1.569 -12.973 10.802 1.00 0.00 O ATOM 863 CB ARG A 78 -2.424 -10.692 13.071 1.00 0.00 C ATOM 864 CG ARG A 78 -3.689 -11.519 12.913 1.00 0.00 C ATOM 865 CD ARG A 78 -4.672 -11.264 14.043 1.00 0.00 C ATOM 866 NE ARG A 78 -4.045 -11.388 15.359 1.00 0.00 N ATOM 867 CZ ARG A 78 -4.207 -12.433 16.173 1.00 0.00 C ATOM 868 NH1 ARG A 78 -4.915 -13.489 15.789 1.00 0.00 N ATOM 869 NH2 ARG A 78 -3.636 -12.430 17.369 1.00 0.00 N ATOM 0 H ARG A 78 -2.945 -10.571 10.494 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.521 -10.302 12.154 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.929 -10.976 14.000 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.698 -9.641 13.164 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.161 -11.283 11.960 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.431 -12.578 12.887 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.094 -10.265 13.936 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.500 -11.970 13.969 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.445 -10.626 15.675 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.342 -13.507 14.863 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.032 -14.282 16.420 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.075 -11.631 17.664 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.757 -13.227 17.994 1.00 0.00 H new ATOM 883 N GLU A 79 -0.216 -12.817 12.581 1.00 0.00 N ATOM 884 CA GLU A 79 0.227 -14.195 12.500 1.00 0.00 C ATOM 885 C GLU A 79 -0.275 -14.975 13.708 1.00 0.00 C ATOM 886 O GLU A 79 0.210 -14.791 14.823 1.00 0.00 O ATOM 887 CB GLU A 79 1.753 -14.242 12.422 1.00 0.00 C ATOM 888 CG GLU A 79 2.323 -15.625 12.166 1.00 0.00 C ATOM 889 CD GLU A 79 3.831 -15.608 12.072 1.00 0.00 C ATOM 890 OE1 GLU A 79 4.360 -15.275 10.994 1.00 0.00 O ATOM 891 OE2 GLU A 79 4.500 -15.910 13.083 1.00 0.00 O ATOM 0 H GLU A 79 0.193 -12.288 13.351 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.182 -14.655 11.600 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.085 -13.572 11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.165 -13.859 13.356 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.017 -16.297 12.968 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.907 -16.023 11.241 1.00 0.00 H new ATOM 898 N HIS A 80 -1.263 -15.827 13.486 1.00 0.00 N ATOM 899 CA HIS A 80 -1.829 -16.631 14.559 1.00 0.00 C ATOM 900 C HIS A 80 -1.290 -18.058 14.475 1.00 0.00 C ATOM 901 O HIS A 80 -2.043 -19.024 14.331 1.00 0.00 O ATOM 902 CB HIS A 80 -3.365 -16.609 14.493 1.00 0.00 C ATOM 903 CG HIS A 80 -4.041 -17.366 15.600 1.00 0.00 C ATOM 904 ND1 HIS A 80 -3.740 -17.190 16.933 1.00 0.00 N ATOM 905 CD2 HIS A 80 -5.001 -18.322 15.559 1.00 0.00 C ATOM 906 CE1 HIS A 80 -4.481 -18.003 17.661 1.00 0.00 C ATOM 907 NE2 HIS A 80 -5.256 -18.699 16.852 1.00 0.00 N ATOM 0 H HIS A 80 -1.690 -15.980 12.573 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.533 -16.209 15.519 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.703 -15.573 14.517 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.682 -17.026 13.537 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.477 -18.714 14.672 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.457 -18.085 18.738 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.935 -19.403 17.141 1.00 0.00 H new ATOM 916 N GLY A 81 0.031 -18.173 14.522 1.00 0.00 N ATOM 917 CA GLY A 81 0.661 -19.474 14.523 1.00 0.00 C ATOM 918 C GLY A 81 0.613 -20.133 13.162 1.00 0.00 C ATOM 919 O GLY A 81 1.181 -19.619 12.198 1.00 0.00 O ATOM 0 H GLY A 81 0.677 -17.385 14.559 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.699 -19.373 14.839 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.166 -20.115 15.253 1.00 0.00 H new ATOM 923 N PRO A 82 -0.072 -21.280 13.055 1.00 0.00 N ATOM 924 CA PRO A 82 -0.227 -22.000 11.791 1.00 0.00 C ATOM 925 C PRO A 82 -1.178 -21.282 10.838 1.00 0.00 C ATOM 926 O PRO A 82 -1.229 -21.587 9.649 1.00 0.00 O ATOM 927 CB PRO A 82 -0.818 -23.356 12.204 1.00 0.00 C ATOM 928 CG PRO A 82 -0.714 -23.408 13.695 1.00 0.00 C ATOM 929 CD PRO A 82 -0.734 -21.984 14.160 1.00 0.00 C ATOM 0 HA PRO A 82 0.720 -22.084 11.257 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.855 -23.445 11.881 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.269 -24.178 11.745 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.543 -23.970 14.125 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.204 -23.907 14.005 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.750 -21.624 14.320 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.199 -21.857 15.101 1.00 0.00 H new ATOM 937 N ASN A 83 -1.931 -20.328 11.364 1.00 0.00 N ATOM 938 CA ASN A 83 -2.905 -19.603 10.560 1.00 0.00 C ATOM 939 C ASN A 83 -2.534 -18.134 10.449 1.00 0.00 C ATOM 940 O ASN A 83 -2.565 -17.395 11.434 1.00 0.00 O ATOM 941 CB ASN A 83 -4.312 -19.741 11.155 1.00 0.00 C ATOM 942 CG ASN A 83 -4.873 -21.152 11.058 1.00 0.00 C ATOM 943 OD1 ASN A 83 -4.545 -21.859 9.988 1.00 0.00 O flip ATOM 944 ND2 ASN A 83 -5.609 -21.596 11.937 1.00 0.00 N flip ATOM 0 H ASN A 83 -1.887 -20.038 12.341 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.900 -20.040 9.561 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.287 -19.439 12.202 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.985 -19.054 10.641 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.840 -21.021 12.748 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.989 -22.539 11.856 1.00 0.00 H new ATOM 951 N PHE A 84 -2.170 -17.713 9.249 1.00 0.00 N ATOM 952 CA PHE A 84 -1.892 -16.313 8.988 1.00 0.00 C ATOM 953 C PHE A 84 -3.199 -15.605 8.662 1.00 0.00 C ATOM 954 O PHE A 84 -3.943 -16.046 7.782 1.00 0.00 O ATOM 955 CB PHE A 84 -0.897 -16.173 7.831 1.00 0.00 C ATOM 956 CG PHE A 84 -0.487 -14.754 7.550 1.00 0.00 C ATOM 957 CD1 PHE A 84 0.502 -14.141 8.303 1.00 0.00 C ATOM 958 CD2 PHE A 84 -1.090 -14.031 6.531 1.00 0.00 C ATOM 959 CE1 PHE A 84 0.883 -12.838 8.044 1.00 0.00 C ATOM 960 CE2 PHE A 84 -0.713 -12.729 6.268 1.00 0.00 C ATOM 961 CZ PHE A 84 0.273 -12.130 7.028 1.00 0.00 C ATOM 0 H PHE A 84 -2.060 -18.323 8.439 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.444 -15.857 9.870 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.007 -16.760 8.057 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.340 -16.598 6.930 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.981 -14.688 9.102 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.864 -14.492 5.936 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.658 -12.374 8.636 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.188 -12.179 5.469 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.566 -11.110 6.828 1.00 0.00 H new ATOM 971 N GLU A 85 -3.489 -14.533 9.380 1.00 0.00 N ATOM 972 CA GLU A 85 -4.748 -13.826 9.203 1.00 0.00 C ATOM 973 C GLU A 85 -4.511 -12.452 8.598 1.00 0.00 C ATOM 974 O GLU A 85 -3.996 -11.549 9.259 1.00 0.00 O ATOM 975 CB GLU A 85 -5.481 -13.691 10.540 1.00 0.00 C ATOM 976 CG GLU A 85 -5.716 -15.015 11.250 1.00 0.00 C ATOM 977 CD GLU A 85 -6.520 -14.858 12.523 1.00 0.00 C ATOM 978 OE1 GLU A 85 -5.962 -14.377 13.531 1.00 0.00 O ATOM 979 OE2 GLU A 85 -7.712 -15.234 12.526 1.00 0.00 O ATOM 0 H GLU A 85 -2.873 -14.134 10.088 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.369 -14.405 8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.905 -13.036 11.194 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.442 -13.206 10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.237 -15.696 10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.755 -15.472 11.486 1.00 0.00 H new ATOM 986 N ALA A 86 -4.881 -12.303 7.339 1.00 0.00 N ATOM 987 CA ALA A 86 -4.751 -11.034 6.651 1.00 0.00 C ATOM 988 C ALA A 86 -6.123 -10.434 6.386 1.00 0.00 C ATOM 989 O ALA A 86 -6.852 -10.880 5.498 1.00 0.00 O ATOM 990 CB ALA A 86 -3.982 -11.206 5.349 1.00 0.00 C ATOM 0 H ALA A 86 -5.276 -13.051 6.770 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.191 -10.351 7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.895 -10.242 4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.986 -11.595 5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.513 -11.905 4.702 1.00 0.00 H new ATOM 996 N VAL A 87 -6.478 -9.442 7.184 1.00 0.00 N ATOM 997 CA VAL A 87 -7.747 -8.753 7.027 1.00 0.00 C ATOM 998 C VAL A 87 -7.544 -7.469 6.231 1.00 0.00 C ATOM 999 O VAL A 87 -6.790 -6.579 6.645 1.00 0.00 O ATOM 1000 CB VAL A 87 -8.381 -8.418 8.396 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -9.778 -7.848 8.216 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -8.417 -9.651 9.288 1.00 0.00 C ATOM 0 H VAL A 87 -5.902 -9.094 7.951 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.425 -9.417 6.491 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.763 -7.662 8.881 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.206 -7.619 9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.725 -6.937 7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.406 -8.579 7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.867 -9.393 10.247 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.008 -10.431 8.807 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.402 -10.013 9.449 1.00 0.00 H new ATOM 1012 N ALA A 88 -8.202 -7.379 5.087 1.00 0.00 N ATOM 1013 CA ALA A 88 -8.051 -6.229 4.213 1.00 0.00 C ATOM 1014 C ALA A 88 -9.407 -5.691 3.782 1.00 0.00 C ATOM 1015 O ALA A 88 -10.389 -6.427 3.715 1.00 0.00 O ATOM 1016 CB ALA A 88 -7.213 -6.592 2.996 1.00 0.00 C ATOM 0 H ALA A 88 -8.847 -8.090 4.742 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.537 -5.446 4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.110 -5.719 2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.226 -6.923 3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.702 -7.395 2.444 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.454 -4.403 3.506 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.673 -3.757 3.054 1.00 0.00 C ATOM 1024 C GLU A 89 -10.604 -3.495 1.556 1.00 0.00 C ATOM 1025 O GLU A 89 -9.572 -3.057 1.048 1.00 0.00 O ATOM 1026 CB GLU A 89 -10.869 -2.433 3.789 1.00 0.00 C ATOM 1027 CG GLU A 89 -10.734 -2.536 5.298 1.00 0.00 C ATOM 1028 CD GLU A 89 -10.783 -1.182 5.975 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -9.855 -0.368 5.755 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -11.745 -0.920 6.725 1.00 0.00 O ATOM 0 H GLU A 89 -8.653 -3.776 3.588 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.514 -4.417 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.140 -1.712 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.857 -2.039 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.534 -3.164 5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.793 -3.028 5.543 1.00 0.00 H new ATOM 1037 N VAL A 90 -11.689 -3.774 0.852 1.00 0.00 N ATOM 1038 CA VAL A 90 -11.773 -3.481 -0.571 1.00 0.00 C ATOM 1039 C VAL A 90 -12.325 -2.081 -0.784 1.00 0.00 C ATOM 1040 O VAL A 90 -13.407 -1.753 -0.296 1.00 0.00 O ATOM 1041 CB VAL A 90 -12.673 -4.493 -1.314 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -12.762 -4.157 -2.799 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -12.157 -5.908 -1.112 1.00 0.00 C ATOM 0 H VAL A 90 -12.527 -4.204 1.244 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.764 -3.554 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.677 -4.428 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.401 -4.885 -3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.183 -3.159 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -11.765 -4.187 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.802 -6.609 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.142 -5.984 -1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.157 -6.147 -0.049 1.00 0.00 H new ATOM 1053 N TYR A 91 -11.582 -1.262 -1.502 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.015 0.087 -1.816 1.00 0.00 C ATOM 1055 C TYR A 91 -12.151 0.260 -3.317 1.00 0.00 C ATOM 1056 O TYR A 91 -11.433 -0.370 -4.097 1.00 0.00 O ATOM 1057 CB TYR A 91 -11.037 1.124 -1.256 1.00 0.00 C ATOM 1058 CG TYR A 91 -11.102 1.271 0.246 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -10.317 0.484 1.077 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -11.958 2.193 0.832 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -10.384 0.616 2.449 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -12.030 2.328 2.203 1.00 0.00 C ATOM 1063 CZ TYR A 91 -11.241 1.537 3.007 1.00 0.00 C ATOM 1064 OH TYR A 91 -11.316 1.659 4.375 1.00 0.00 O ATOM 0 H TYR A 91 -10.668 -1.509 -1.882 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.987 0.246 -1.349 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -10.023 0.845 -1.541 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -11.243 2.090 -1.716 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -9.644 -0.242 0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -12.578 2.815 0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.766 -0.002 3.083 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -12.702 3.050 2.643 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.666 1.056 4.793 1.00 0.00 H new ATOM 1074 N ASN A 92 -13.087 1.094 -3.721 1.00 0.00 N ATOM 1075 CA ASN A 92 -13.277 1.388 -5.129 1.00 0.00 C ATOM 1076 C ASN A 92 -13.661 2.854 -5.300 1.00 0.00 C ATOM 1077 O ASN A 92 -14.052 3.510 -4.334 1.00 0.00 O ATOM 1078 CB ASN A 92 -14.338 0.457 -5.718 1.00 0.00 C ATOM 1079 CG ASN A 92 -14.334 0.449 -7.233 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -13.342 0.808 -7.863 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -15.423 -0.008 -7.822 1.00 0.00 N ATOM 0 H ASN A 92 -13.729 1.581 -3.095 1.00 0.00 H new ATOM 0 HA ASN A 92 -12.346 1.217 -5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.169 -0.556 -5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.322 0.764 -5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.463 -0.074 -8.839 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.224 -0.295 -7.260 1.00 0.00 H new ATOM 1088 N ASP A 93 -13.535 3.371 -6.517 1.00 0.00 N ATOM 1089 CA ASP A 93 -13.780 4.787 -6.764 1.00 0.00 C ATOM 1090 C ASP A 93 -15.280 5.070 -6.851 1.00 0.00 C ATOM 1091 O ASP A 93 -16.100 4.147 -6.881 1.00 0.00 O ATOM 1092 CB ASP A 93 -13.069 5.252 -8.040 1.00 0.00 C ATOM 1093 CG ASP A 93 -13.754 4.782 -9.304 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -13.532 3.629 -9.720 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -14.520 5.571 -9.891 1.00 0.00 O ATOM 0 H ASP A 93 -13.267 2.835 -7.343 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.373 5.350 -5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.018 6.341 -8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.043 4.885 -8.032 1.00 0.00 H new ATOM 1100 N ALA A 94 -15.631 6.347 -6.923 1.00 0.00 N ATOM 1101 CA ALA A 94 -17.023 6.777 -6.822 1.00 0.00 C ATOM 1102 C ALA A 94 -17.746 6.733 -8.170 1.00 0.00 C ATOM 1103 O ALA A 94 -18.450 7.675 -8.540 1.00 0.00 O ATOM 1104 CB ALA A 94 -17.084 8.179 -6.238 1.00 0.00 C ATOM 0 H ALA A 94 -14.966 7.110 -7.052 1.00 0.00 H new ATOM 0 HA ALA A 94 -17.537 6.078 -6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -18.124 8.497 -6.164 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -16.633 8.180 -5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.539 8.867 -6.885 1.00 0.00 H new ATOM 1290 N ALA B 22 7.344 -0.415 -8.229 1.00 0.00 N ATOM 1291 CA ALA B 22 7.485 -0.474 -6.759 1.00 0.00 C ATOM 1292 C ALA B 22 6.124 -0.665 -6.102 1.00 0.00 C ATOM 1293 O ALA B 22 5.112 -0.170 -6.605 1.00 0.00 O ATOM 1294 CB ALA B 22 8.155 0.790 -6.245 1.00 0.00 C ATOM 0 HA ALA B 22 8.112 -1.328 -6.501 1.00 0.00 H new ATOM 0 HB1 ALA B 22 8.253 0.735 -5.161 1.00 0.00 H new ATOM 0 HB2 ALA B 22 9.143 0.886 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA B 22 7.549 1.657 -6.511 1.00 0.00 H new ATOM 1302 N GLU B 23 6.103 -1.379 -4.984 1.00 0.00 N ATOM 1303 CA GLU B 23 4.860 -1.675 -4.283 1.00 0.00 C ATOM 1304 C GLU B 23 4.625 -0.704 -3.131 1.00 0.00 C ATOM 1305 O GLU B 23 5.573 -0.233 -2.498 1.00 0.00 O ATOM 1306 CB GLU B 23 4.877 -3.106 -3.734 1.00 0.00 C ATOM 1307 CG GLU B 23 4.588 -4.192 -4.760 1.00 0.00 C ATOM 1308 CD GLU B 23 5.615 -4.271 -5.871 1.00 0.00 C ATOM 1309 OE1 GLU B 23 6.778 -4.618 -5.587 1.00 0.00 O ATOM 1310 OE2 GLU B 23 5.251 -4.018 -7.039 1.00 0.00 O ATOM 0 H GLU B 23 6.937 -1.766 -4.541 1.00 0.00 H new ATOM 0 HA GLU B 23 4.050 -1.568 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU B 23 5.854 -3.297 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU B 23 4.143 -3.180 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU B 23 4.541 -5.155 -4.252 1.00 0.00 H new ATOM 0 HG3 GLU B 23 3.606 -4.014 -5.198 1.00 0.00 H new ATOM 1317 N GLN B 24 3.357 -0.410 -2.872 1.00 0.00 N ATOM 1318 CA GLN B 24 2.965 0.402 -1.727 1.00 0.00 C ATOM 1319 C GLN B 24 2.490 -0.531 -0.617 1.00 0.00 C ATOM 1320 O GLN B 24 1.438 -1.159 -0.740 1.00 0.00 O ATOM 1321 CB GLN B 24 1.841 1.372 -2.126 1.00 0.00 C ATOM 1322 CG GLN B 24 1.864 2.714 -1.399 1.00 0.00 C ATOM 1323 CD GLN B 24 1.638 2.608 0.098 1.00 0.00 C ATOM 1324 OE1 GLN B 24 2.582 2.474 0.875 1.00 0.00 O ATOM 1325 NE2 GLN B 24 0.388 2.695 0.514 1.00 0.00 N ATOM 0 H GLN B 24 2.575 -0.726 -3.446 1.00 0.00 H new ATOM 0 HA GLN B 24 3.813 0.992 -1.379 1.00 0.00 H new ATOM 0 HB2 GLN B 24 1.902 1.555 -3.199 1.00 0.00 H new ATOM 0 HB3 GLN B 24 0.881 0.890 -1.939 1.00 0.00 H new ATOM 0 HG2 GLN B 24 2.825 3.196 -1.578 1.00 0.00 H new ATOM 0 HG3 GLN B 24 1.098 3.361 -1.827 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -0.368 2.806 -0.162 1.00 0.00 H new ATOM 0 HE22 GLN B 24 0.178 2.652 1.511 1.00 0.00 H new ATOM 1334 N VAL B 25 3.277 -0.642 0.444 1.00 0.00 N ATOM 1335 CA VAL B 25 2.990 -1.591 1.516 1.00 0.00 C ATOM 1336 C VAL B 25 2.858 -0.875 2.856 1.00 0.00 C ATOM 1337 O VAL B 25 3.060 0.338 2.939 1.00 0.00 O ATOM 1338 CB VAL B 25 4.098 -2.667 1.621 1.00 0.00 C ATOM 1339 CG1 VAL B 25 4.148 -3.514 0.358 1.00 0.00 C ATOM 1340 CG2 VAL B 25 5.453 -2.023 1.886 1.00 0.00 C ATOM 0 H VAL B 25 4.121 -0.087 0.588 1.00 0.00 H new ATOM 0 HA VAL B 25 2.045 -2.077 1.273 1.00 0.00 H new ATOM 0 HB VAL B 25 3.858 -3.318 2.461 1.00 0.00 H new ATOM 0 HG11 VAL B 25 4.934 -4.264 0.453 1.00 0.00 H new ATOM 0 HG12 VAL B 25 3.188 -4.010 0.215 1.00 0.00 H new ATOM 0 HG13 VAL B 25 4.358 -2.876 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL B 25 6.217 -2.798 1.956 1.00 0.00 H new ATOM 0 HG22 VAL B 25 5.699 -1.344 1.070 1.00 0.00 H new ATOM 0 HG23 VAL B 25 5.414 -1.466 2.822 1.00 0.00 H new ATOM 1350 N SER B 26 2.512 -1.609 3.905 1.00 0.00 N ATOM 1351 CA SER B 26 2.450 -1.023 5.230 1.00 0.00 C ATOM 1352 C SER B 26 3.527 -1.630 6.126 1.00 0.00 C ATOM 1353 O SER B 26 4.222 -2.574 5.732 1.00 0.00 O ATOM 1354 CB SER B 26 1.054 -1.190 5.849 1.00 0.00 C ATOM 1355 OG SER B 26 0.793 -2.528 6.237 1.00 0.00 O ATOM 0 H SER B 26 2.273 -2.600 3.862 1.00 0.00 H new ATOM 0 HA SER B 26 2.639 0.047 5.141 1.00 0.00 H new ATOM 0 HB2 SER B 26 0.964 -0.538 6.718 1.00 0.00 H new ATOM 0 HB3 SER B 26 0.300 -0.869 5.130 1.00 0.00 H new ATOM 0 HG SER B 26 1.358 -3.136 5.716 1.00 0.00 H new ATOM 1361 N LYS B 27 3.663 -1.090 7.334 1.00 0.00 N ATOM 1362 CA LYS B 27 4.706 -1.521 8.261 1.00 0.00 C ATOM 1363 C LYS B 27 4.576 -3.003 8.604 1.00 0.00 C ATOM 1364 O LYS B 27 5.529 -3.617 9.072 1.00 0.00 O ATOM 1365 CB LYS B 27 4.662 -0.693 9.547 1.00 0.00 C ATOM 1366 CG LYS B 27 3.370 -0.846 10.334 1.00 0.00 C ATOM 1367 CD LYS B 27 3.446 -0.129 11.674 1.00 0.00 C ATOM 1368 CE LYS B 27 3.540 1.378 11.502 1.00 0.00 C ATOM 1369 NZ LYS B 27 3.706 2.071 12.805 1.00 0.00 N ATOM 0 H LYS B 27 3.061 -0.350 7.695 1.00 0.00 H new ATOM 0 HA LYS B 27 5.663 -1.366 7.763 1.00 0.00 H new ATOM 0 HB2 LYS B 27 5.499 -0.982 10.182 1.00 0.00 H new ATOM 0 HB3 LYS B 27 4.800 0.359 9.295 1.00 0.00 H new ATOM 0 HG2 LYS B 27 2.539 -0.446 9.753 1.00 0.00 H new ATOM 0 HG3 LYS B 27 3.165 -1.904 10.497 1.00 0.00 H new ATOM 0 HD2 LYS B 27 2.565 -0.373 12.268 1.00 0.00 H new ATOM 0 HD3 LYS B 27 4.313 -0.486 12.229 1.00 0.00 H new ATOM 0 HE2 LYS B 27 4.382 1.618 10.852 1.00 0.00 H new ATOM 0 HE3 LYS B 27 2.641 1.744 11.007 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 3.766 3.097 12.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 2.891 1.862 13.416 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 4.578 1.740 13.266 1.00 0.00 H new ATOM 1383 N GLN B 28 3.406 -3.569 8.355 1.00 0.00 N ATOM 1384 CA GLN B 28 3.142 -4.962 8.677 1.00 0.00 C ATOM 1385 C GLN B 28 3.997 -5.877 7.809 1.00 0.00 C ATOM 1386 O GLN B 28 4.611 -6.823 8.305 1.00 0.00 O ATOM 1387 CB GLN B 28 1.658 -5.267 8.483 1.00 0.00 C ATOM 1388 CG GLN B 28 0.757 -4.321 9.262 1.00 0.00 C ATOM 1389 CD GLN B 28 -0.709 -4.502 8.940 1.00 0.00 C ATOM 1390 OE1 GLN B 28 -1.412 -5.271 9.597 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -1.174 -3.808 7.914 1.00 0.00 N ATOM 0 H GLN B 28 2.619 -3.081 7.928 1.00 0.00 H new ATOM 0 HA GLN B 28 3.402 -5.141 9.720 1.00 0.00 H new ATOM 0 HB2 GLN B 28 1.414 -5.204 7.423 1.00 0.00 H new ATOM 0 HB3 GLN B 28 1.458 -6.292 8.795 1.00 0.00 H new ATOM 0 HG2 GLN B 28 0.911 -4.478 10.330 1.00 0.00 H new ATOM 0 HG3 GLN B 28 1.046 -3.292 9.046 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -0.555 -3.183 7.399 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -2.152 -3.898 7.638 1.00 0.00 H new ATOM 1400 N GLU B 29 4.060 -5.573 6.519 1.00 0.00 N ATOM 1401 CA GLU B 29 4.869 -6.356 5.596 1.00 0.00 C ATOM 1402 C GLU B 29 6.342 -6.047 5.828 1.00 0.00 C ATOM 1403 O GLU B 29 7.198 -6.933 5.781 1.00 0.00 O ATOM 1404 CB GLU B 29 4.499 -6.051 4.135 1.00 0.00 C ATOM 1405 CG GLU B 29 3.010 -6.155 3.822 1.00 0.00 C ATOM 1406 CD GLU B 29 2.271 -4.843 4.024 1.00 0.00 C ATOM 1407 OE1 GLU B 29 2.107 -4.419 5.182 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.861 -4.224 3.022 1.00 0.00 O ATOM 0 H GLU B 29 3.562 -4.793 6.090 1.00 0.00 H new ATOM 0 HA GLU B 29 4.677 -7.413 5.780 1.00 0.00 H new ATOM 0 HB2 GLU B 29 4.839 -5.045 3.890 1.00 0.00 H new ATOM 0 HB3 GLU B 29 5.042 -6.737 3.486 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.883 -6.483 2.790 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.563 -6.920 4.457 1.00 0.00 H new ATOM 1415 N ILE B 30 6.615 -4.778 6.104 1.00 0.00 N ATOM 1416 CA ILE B 30 7.973 -4.298 6.322 1.00 0.00 C ATOM 1417 C ILE B 30 8.614 -4.951 7.546 1.00 0.00 C ATOM 1418 O ILE B 30 9.756 -5.404 7.488 1.00 0.00 O ATOM 1419 CB ILE B 30 7.990 -2.764 6.499 1.00 0.00 C ATOM 1420 CG1 ILE B 30 7.390 -2.083 5.266 1.00 0.00 C ATOM 1421 CG2 ILE B 30 9.408 -2.269 6.748 1.00 0.00 C ATOM 1422 CD1 ILE B 30 7.198 -0.590 5.428 1.00 0.00 C ATOM 0 H ILE B 30 5.902 -4.053 6.183 1.00 0.00 H new ATOM 0 HA ILE B 30 8.551 -4.571 5.439 1.00 0.00 H new ATOM 0 HB ILE B 30 7.383 -2.508 7.367 1.00 0.00 H new ATOM 0 HG12 ILE B 30 8.038 -2.266 4.409 1.00 0.00 H new ATOM 0 HG13 ILE B 30 6.427 -2.542 5.041 1.00 0.00 H new ATOM 0 HG21 ILE B 30 9.399 -1.186 6.870 1.00 0.00 H new ATOM 0 HG22 ILE B 30 9.802 -2.733 7.652 1.00 0.00 H new ATOM 0 HG23 ILE B 30 10.040 -2.533 5.900 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.769 -0.177 4.515 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.525 -0.398 6.264 1.00 0.00 H new ATOM 0 HD13 ILE B 30 8.161 -0.118 5.622 1.00 0.00 H new ATOM 1434 N SER B 31 7.874 -5.009 8.646 1.00 0.00 N ATOM 1435 CA SER B 31 8.418 -5.511 9.901 1.00 0.00 C ATOM 1436 C SER B 31 8.474 -7.036 9.925 1.00 0.00 C ATOM 1437 O SER B 31 9.410 -7.615 10.472 1.00 0.00 O ATOM 1438 CB SER B 31 7.592 -4.992 11.081 1.00 0.00 C ATOM 1439 OG SER B 31 6.218 -5.308 10.926 1.00 0.00 O ATOM 0 H SER B 31 6.898 -4.716 8.695 1.00 0.00 H new ATOM 0 HA SER B 31 9.440 -5.143 9.988 1.00 0.00 H new ATOM 0 HB2 SER B 31 7.965 -5.427 12.008 1.00 0.00 H new ATOM 0 HB3 SER B 31 7.712 -3.912 11.165 1.00 0.00 H new ATOM 0 HG SER B 31 5.765 -4.576 10.458 1.00 0.00 H new ATOM 1445 N HIS B 32 7.485 -7.687 9.325 1.00 0.00 N ATOM 1446 CA HIS B 32 7.420 -9.145 9.342 1.00 0.00 C ATOM 1447 C HIS B 32 8.577 -9.745 8.546 1.00 0.00 C ATOM 1448 O HIS B 32 9.204 -10.710 8.980 1.00 0.00 O ATOM 1449 CB HIS B 32 6.082 -9.634 8.779 1.00 0.00 C ATOM 1450 CG HIS B 32 5.783 -11.075 9.081 1.00 0.00 C ATOM 1451 ND1 HIS B 32 6.211 -12.122 8.293 1.00 0.00 N ATOM 1452 CD2 HIS B 32 5.075 -11.639 10.090 1.00 0.00 C ATOM 1453 CE1 HIS B 32 5.773 -13.260 8.797 1.00 0.00 C ATOM 1454 NE2 HIS B 32 5.086 -12.997 9.886 1.00 0.00 N ATOM 0 H HIS B 32 6.721 -7.233 8.824 1.00 0.00 H new ATOM 0 HA HIS B 32 7.502 -9.475 10.378 1.00 0.00 H new ATOM 0 HB2 HIS B 32 5.281 -9.015 9.183 1.00 0.00 H new ATOM 0 HB3 HIS B 32 6.080 -9.492 7.698 1.00 0.00 H new ATOM 0 HD2 HIS B 32 4.592 -11.117 10.903 1.00 0.00 H new ATOM 0 HE1 HIS B 32 5.949 -14.242 8.384 1.00 0.00 H new ATOM 0 HE2 HIS B 32 4.634 -13.690 10.483 1.00 0.00 H new ATOM 1463 N PHE B 33 8.865 -9.162 7.388 1.00 0.00 N ATOM 1464 CA PHE B 33 9.932 -9.662 6.528 1.00 0.00 C ATOM 1465 C PHE B 33 11.251 -8.951 6.813 1.00 0.00 C ATOM 1466 O PHE B 33 12.306 -9.378 6.341 1.00 0.00 O ATOM 1467 CB PHE B 33 9.548 -9.502 5.053 1.00 0.00 C ATOM 1468 CG PHE B 33 8.432 -10.414 4.624 1.00 0.00 C ATOM 1469 CD1 PHE B 33 7.108 -10.068 4.847 1.00 0.00 C ATOM 1470 CD2 PHE B 33 8.711 -11.622 4.006 1.00 0.00 C ATOM 1471 CE1 PHE B 33 6.083 -10.912 4.460 1.00 0.00 C ATOM 1472 CE2 PHE B 33 7.691 -12.470 3.617 1.00 0.00 C ATOM 1473 CZ PHE B 33 6.375 -12.114 3.845 1.00 0.00 C ATOM 0 H PHE B 33 8.376 -8.344 7.023 1.00 0.00 H new ATOM 0 HA PHE B 33 10.068 -10.722 6.744 1.00 0.00 H new ATOM 0 HB2 PHE B 33 9.252 -8.469 4.872 1.00 0.00 H new ATOM 0 HB3 PHE B 33 10.424 -9.696 4.434 1.00 0.00 H new ATOM 0 HD1 PHE B 33 6.875 -9.130 5.328 1.00 0.00 H new ATOM 0 HD2 PHE B 33 9.738 -11.905 3.826 1.00 0.00 H new ATOM 0 HE1 PHE B 33 5.055 -10.632 4.638 1.00 0.00 H new ATOM 0 HE2 PHE B 33 7.922 -13.409 3.136 1.00 0.00 H new ATOM 0 HZ PHE B 33 5.576 -12.775 3.543 1.00 0.00 H new ATOM 1483 N LYS B 34 11.178 -7.877 7.598 1.00 0.00 N ATOM 1484 CA LYS B 34 12.352 -7.084 7.963 1.00 0.00 C ATOM 1485 C LYS B 34 13.056 -6.534 6.726 1.00 0.00 C ATOM 1486 O LYS B 34 14.084 -7.056 6.291 1.00 0.00 O ATOM 1487 CB LYS B 34 13.328 -7.901 8.818 1.00 0.00 C ATOM 1488 CG LYS B 34 12.770 -8.303 10.173 1.00 0.00 C ATOM 1489 CD LYS B 34 12.482 -7.089 11.043 1.00 0.00 C ATOM 1490 CE LYS B 34 11.907 -7.491 12.395 1.00 0.00 C ATOM 1491 NZ LYS B 34 12.844 -8.344 13.171 1.00 0.00 N ATOM 0 H LYS B 34 10.305 -7.532 7.998 1.00 0.00 H new ATOM 0 HA LYS B 34 12.003 -6.239 8.557 1.00 0.00 H new ATOM 0 HB2 LYS B 34 13.610 -8.800 8.271 1.00 0.00 H new ATOM 0 HB3 LYS B 34 14.238 -7.320 8.968 1.00 0.00 H new ATOM 0 HG2 LYS B 34 11.854 -8.877 10.034 1.00 0.00 H new ATOM 0 HG3 LYS B 34 13.481 -8.955 10.681 1.00 0.00 H new ATOM 0 HD2 LYS B 34 13.401 -6.521 11.192 1.00 0.00 H new ATOM 0 HD3 LYS B 34 11.781 -6.431 10.530 1.00 0.00 H new ATOM 0 HE2 LYS B 34 11.673 -6.595 12.970 1.00 0.00 H new ATOM 0 HE3 LYS B 34 10.970 -8.027 12.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 12.508 -8.426 14.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 12.890 -9.290 12.741 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 13.791 -7.914 13.165 1.00 0.00 H new ATOM 1505 N LEU B 35 12.479 -5.489 6.155 1.00 0.00 N ATOM 1506 CA LEU B 35 13.034 -4.863 4.964 1.00 0.00 C ATOM 1507 C LEU B 35 14.074 -3.814 5.342 1.00 0.00 C ATOM 1508 O LEU B 35 13.996 -3.204 6.409 1.00 0.00 O ATOM 1509 CB LEU B 35 11.919 -4.225 4.133 1.00 0.00 C ATOM 1510 CG LEU B 35 10.850 -5.197 3.628 1.00 0.00 C ATOM 1511 CD1 LEU B 35 9.750 -4.446 2.894 1.00 0.00 C ATOM 1512 CD2 LEU B 35 11.471 -6.253 2.722 1.00 0.00 C ATOM 0 H LEU B 35 11.623 -5.054 6.498 1.00 0.00 H new ATOM 0 HA LEU B 35 13.522 -5.633 4.367 1.00 0.00 H new ATOM 0 HB2 LEU B 35 11.434 -3.456 4.734 1.00 0.00 H new ATOM 0 HB3 LEU B 35 12.367 -3.724 3.275 1.00 0.00 H new ATOM 0 HG LEU B 35 10.409 -5.699 4.489 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.999 -5.153 2.542 1.00 0.00 H new ATOM 0 HD12 LEU B 35 9.285 -3.729 3.571 1.00 0.00 H new ATOM 0 HD13 LEU B 35 10.177 -3.916 2.042 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.695 -6.935 2.373 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.940 -5.768 1.866 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.223 -6.813 3.278 1.00 0.00 H new ATOM 1524 N VAL B 36 15.045 -3.612 4.464 1.00 0.00 N ATOM 1525 CA VAL B 36 16.111 -2.653 4.709 1.00 0.00 C ATOM 1526 C VAL B 36 15.706 -1.275 4.199 1.00 0.00 C ATOM 1527 O VAL B 36 15.442 -1.101 3.009 1.00 0.00 O ATOM 1528 CB VAL B 36 17.427 -3.088 4.024 1.00 0.00 C ATOM 1529 CG1 VAL B 36 18.554 -2.121 4.353 1.00 0.00 C ATOM 1530 CG2 VAL B 36 17.800 -4.507 4.430 1.00 0.00 C ATOM 0 H VAL B 36 15.116 -4.102 3.572 1.00 0.00 H new ATOM 0 HA VAL B 36 16.279 -2.611 5.785 1.00 0.00 H new ATOM 0 HB VAL B 36 17.270 -3.071 2.946 1.00 0.00 H new ATOM 0 HG11 VAL B 36 19.469 -2.448 3.860 1.00 0.00 H new ATOM 0 HG12 VAL B 36 18.290 -1.123 4.004 1.00 0.00 H new ATOM 0 HG13 VAL B 36 18.711 -2.099 5.431 1.00 0.00 H new ATOM 0 HG21 VAL B 36 18.729 -4.794 3.937 1.00 0.00 H new ATOM 0 HG22 VAL B 36 17.933 -4.553 5.511 1.00 0.00 H new ATOM 0 HG23 VAL B 36 17.005 -5.191 4.133 1.00 0.00 H new ATOM 1540 N LYS B 37 15.642 -0.306 5.100 1.00 0.00 N ATOM 1541 CA LYS B 37 15.253 1.048 4.733 1.00 0.00 C ATOM 1542 C LYS B 37 16.380 1.734 3.970 1.00 0.00 C ATOM 1543 O LYS B 37 17.510 1.815 4.452 1.00 0.00 O ATOM 1544 CB LYS B 37 14.892 1.847 5.985 1.00 0.00 C ATOM 1545 CG LYS B 37 14.122 3.123 5.699 1.00 0.00 C ATOM 1546 CD LYS B 37 13.692 3.802 6.988 1.00 0.00 C ATOM 1547 CE LYS B 37 12.754 4.966 6.720 1.00 0.00 C ATOM 1548 NZ LYS B 37 13.429 6.088 6.017 1.00 0.00 N ATOM 0 H LYS B 37 15.854 -0.432 6.090 1.00 0.00 H new ATOM 0 HA LYS B 37 14.378 0.999 4.085 1.00 0.00 H new ATOM 0 HB2 LYS B 37 14.299 1.217 6.648 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.808 2.099 6.520 1.00 0.00 H new ATOM 0 HG2 LYS B 37 14.743 3.803 5.115 1.00 0.00 H new ATOM 0 HG3 LYS B 37 13.244 2.894 5.094 1.00 0.00 H new ATOM 0 HD2 LYS B 37 13.198 3.077 7.635 1.00 0.00 H new ATOM 0 HD3 LYS B 37 14.572 4.159 7.523 1.00 0.00 H new ATOM 0 HE2 LYS B 37 11.912 4.620 6.121 1.00 0.00 H new ATOM 0 HE3 LYS B 37 12.347 5.326 7.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 12.748 6.857 5.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 14.217 6.438 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 13.795 5.754 5.103 1.00 0.00 H new ATOM 1562 N VAL B 38 16.069 2.216 2.777 1.00 0.00 N ATOM 1563 CA VAL B 38 17.065 2.854 1.922 1.00 0.00 C ATOM 1564 C VAL B 38 17.061 4.367 2.120 1.00 0.00 C ATOM 1565 O VAL B 38 18.115 4.992 2.242 1.00 0.00 O ATOM 1566 CB VAL B 38 16.813 2.539 0.431 1.00 0.00 C ATOM 1567 CG1 VAL B 38 17.890 3.162 -0.448 1.00 0.00 C ATOM 1568 CG2 VAL B 38 16.742 1.037 0.206 1.00 0.00 C ATOM 0 H VAL B 38 15.132 2.179 2.375 1.00 0.00 H new ATOM 0 HA VAL B 38 18.037 2.452 2.208 1.00 0.00 H new ATOM 0 HB VAL B 38 15.854 2.976 0.151 1.00 0.00 H new ATOM 0 HG11 VAL B 38 17.689 2.925 -1.493 1.00 0.00 H new ATOM 0 HG12 VAL B 38 17.888 4.244 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL B 38 18.865 2.763 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL B 38 16.564 0.835 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.683 0.579 0.509 1.00 0.00 H new ATOM 0 HG23 VAL B 38 15.928 0.619 0.798 1.00 0.00 H new ATOM 1578 N GLY B 39 15.870 4.948 2.166 1.00 0.00 N ATOM 1579 CA GLY B 39 15.754 6.385 2.295 1.00 0.00 C ATOM 1580 C GLY B 39 14.314 6.842 2.288 1.00 0.00 C ATOM 1581 O GLY B 39 13.409 6.058 2.579 1.00 0.00 O ATOM 0 H GLY B 39 14.982 4.449 2.116 1.00 0.00 H new ATOM 0 HA2 GLY B 39 16.231 6.705 3.221 1.00 0.00 H new ATOM 0 HA3 GLY B 39 16.291 6.866 1.477 1.00 0.00 H new ATOM 1585 N THR B 40 14.106 8.103 1.954 1.00 0.00 N ATOM 1586 CA THR B 40 12.774 8.682 1.910 1.00 0.00 C ATOM 1587 C THR B 40 12.595 9.471 0.616 1.00 0.00 C ATOM 1588 O THR B 40 13.501 10.195 0.199 1.00 0.00 O ATOM 1589 CB THR B 40 12.547 9.622 3.111 1.00 0.00 C ATOM 1590 OG1 THR B 40 12.950 8.968 4.322 1.00 0.00 O ATOM 1591 CG2 THR B 40 11.088 10.037 3.224 1.00 0.00 C ATOM 0 H THR B 40 14.852 8.753 1.706 1.00 0.00 H new ATOM 0 HA THR B 40 12.047 7.871 1.953 1.00 0.00 H new ATOM 0 HB THR B 40 13.147 10.518 2.953 1.00 0.00 H new ATOM 0 HG1 THR B 40 12.354 8.210 4.499 1.00 0.00 H new ATOM 0 HG21 THR B 40 10.963 10.699 4.081 1.00 0.00 H new ATOM 0 HG22 THR B 40 10.787 10.559 2.316 1.00 0.00 H new ATOM 0 HG23 THR B 40 10.467 9.151 3.357 1.00 0.00 H new ATOM 1599 N ILE B 41 11.448 9.321 -0.027 1.00 0.00 N ATOM 1600 CA ILE B 41 11.156 10.070 -1.241 1.00 0.00 C ATOM 1601 C ILE B 41 10.047 11.083 -0.989 1.00 0.00 C ATOM 1602 O ILE B 41 8.977 10.740 -0.485 1.00 0.00 O ATOM 1603 CB ILE B 41 10.766 9.148 -2.420 1.00 0.00 C ATOM 1604 CG1 ILE B 41 9.685 8.146 -1.997 1.00 0.00 C ATOM 1605 CG2 ILE B 41 11.995 8.429 -2.957 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.202 7.257 -3.123 1.00 0.00 C ATOM 0 H ILE B 41 10.705 8.689 0.270 1.00 0.00 H new ATOM 0 HA ILE B 41 12.071 10.593 -1.519 1.00 0.00 H new ATOM 0 HB ILE B 41 10.353 9.765 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.077 7.520 -1.195 1.00 0.00 H new ATOM 0 HG13 ILE B 41 8.835 8.693 -1.589 1.00 0.00 H new ATOM 0 HG21 ILE B 41 11.706 7.784 -3.786 1.00 0.00 H new ATOM 0 HG22 ILE B 41 12.723 9.162 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE B 41 12.438 7.825 -2.165 1.00 0.00 H new ATOM 0 HD11 ILE B 41 8.439 6.576 -2.747 1.00 0.00 H new ATOM 0 HD12 ILE B 41 8.779 7.873 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.040 6.682 -3.517 1.00 0.00 H new ATOM 1618 N ASN B 42 10.320 12.336 -1.323 1.00 0.00 N ATOM 1619 CA ASN B 42 9.362 13.410 -1.103 1.00 0.00 C ATOM 1620 C ASN B 42 8.881 13.972 -2.434 1.00 0.00 C ATOM 1621 O ASN B 42 9.663 14.539 -3.200 1.00 0.00 O ATOM 1622 CB ASN B 42 9.980 14.539 -0.264 1.00 0.00 C ATOM 1623 CG ASN B 42 10.303 14.134 1.165 1.00 0.00 C ATOM 1624 OD1 ASN B 42 10.639 12.985 1.446 1.00 0.00 O ATOM 1625 ND2 ASN B 42 10.210 15.085 2.082 1.00 0.00 N ATOM 0 H ASN B 42 11.198 12.634 -1.748 1.00 0.00 H new ATOM 0 HA ASN B 42 8.515 12.993 -0.558 1.00 0.00 H new ATOM 0 HB2 ASN B 42 10.893 14.882 -0.750 1.00 0.00 H new ATOM 0 HB3 ASN B 42 9.292 15.384 -0.246 1.00 0.00 H new ATOM 0 HD21 ASN B 42 10.420 14.875 3.058 1.00 0.00 H new ATOM 0 HD22 ASN B 42 9.928 16.028 1.813 1.00 0.00 H new ATOM 1632 N VAL B 43 7.601 13.794 -2.711 1.00 0.00 N ATOM 1633 CA VAL B 43 6.992 14.353 -3.907 1.00 0.00 C ATOM 1634 C VAL B 43 6.203 15.606 -3.549 1.00 0.00 C ATOM 1635 O VAL B 43 5.140 15.525 -2.944 1.00 0.00 O ATOM 1636 CB VAL B 43 6.040 13.344 -4.594 1.00 0.00 C ATOM 1637 CG1 VAL B 43 5.404 13.961 -5.832 1.00 0.00 C ATOM 1638 CG2 VAL B 43 6.775 12.061 -4.951 1.00 0.00 C ATOM 0 H VAL B 43 6.960 13.264 -2.121 1.00 0.00 H new ATOM 0 HA VAL B 43 7.798 14.594 -4.600 1.00 0.00 H new ATOM 0 HB VAL B 43 5.246 13.095 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL B 43 4.739 13.235 -6.299 1.00 0.00 H new ATOM 0 HG12 VAL B 43 4.833 14.845 -5.546 1.00 0.00 H new ATOM 0 HG13 VAL B 43 6.184 14.246 -6.538 1.00 0.00 H new ATOM 0 HG21 VAL B 43 6.085 11.368 -5.432 1.00 0.00 H new ATOM 0 HG22 VAL B 43 7.595 12.289 -5.632 1.00 0.00 H new ATOM 0 HG23 VAL B 43 7.173 11.605 -4.044 1.00 0.00 H new ATOM 1648 N SER B 44 6.743 16.761 -3.900 1.00 0.00 N ATOM 1649 CA SER B 44 6.069 18.021 -3.644 1.00 0.00 C ATOM 1650 C SER B 44 5.845 18.771 -4.952 1.00 0.00 C ATOM 1651 O SER B 44 6.717 19.502 -5.425 1.00 0.00 O ATOM 1652 CB SER B 44 6.888 18.862 -2.661 1.00 0.00 C ATOM 1653 OG SER B 44 8.255 18.899 -3.043 1.00 0.00 O ATOM 0 H SER B 44 7.647 16.851 -4.363 1.00 0.00 H new ATOM 0 HA SER B 44 5.095 17.823 -3.196 1.00 0.00 H new ATOM 0 HB2 SER B 44 6.489 19.876 -2.623 1.00 0.00 H new ATOM 0 HB3 SER B 44 6.798 18.446 -1.657 1.00 0.00 H new ATOM 0 HG SER B 44 8.322 19.098 -4.000 1.00 0.00 H new ATOM 1659 N GLN B 45 4.679 18.564 -5.547 1.00 0.00 N ATOM 1660 CA GLN B 45 4.377 19.144 -6.848 1.00 0.00 C ATOM 1661 C GLN B 45 3.209 20.113 -6.750 1.00 0.00 C ATOM 1662 O GLN B 45 2.370 19.992 -5.856 1.00 0.00 O ATOM 1663 CB GLN B 45 4.066 18.045 -7.866 1.00 0.00 C ATOM 1664 CG GLN B 45 5.218 17.075 -8.086 1.00 0.00 C ATOM 1665 CD GLN B 45 6.502 17.779 -8.492 1.00 0.00 C ATOM 1666 OE1 GLN B 45 6.474 18.824 -9.140 1.00 0.00 O ATOM 1667 NE2 GLN B 45 7.636 17.213 -8.113 1.00 0.00 N ATOM 0 H GLN B 45 3.928 18.000 -5.150 1.00 0.00 H new ATOM 0 HA GLN B 45 5.255 19.695 -7.184 1.00 0.00 H new ATOM 0 HB2 GLN B 45 3.192 17.487 -7.531 1.00 0.00 H new ATOM 0 HB3 GLN B 45 3.804 18.507 -8.818 1.00 0.00 H new ATOM 0 HG2 GLN B 45 5.392 16.509 -7.171 1.00 0.00 H new ATOM 0 HG3 GLN B 45 4.942 16.357 -8.858 1.00 0.00 H new ATOM 0 HE21 GLN B 45 7.619 16.346 -7.576 1.00 0.00 H new ATOM 0 HE22 GLN B 45 8.528 17.644 -8.357 1.00 0.00 H new ATOM 1676 N SER B 46 3.150 21.060 -7.680 1.00 0.00 N ATOM 1677 CA SER B 46 2.120 22.091 -7.673 1.00 0.00 C ATOM 1678 C SER B 46 0.784 21.560 -8.197 1.00 0.00 C ATOM 1679 O SER B 46 0.262 22.036 -9.207 1.00 0.00 O ATOM 1680 CB SER B 46 2.583 23.290 -8.502 1.00 0.00 C ATOM 1681 OG SER B 46 3.806 23.814 -8.001 1.00 0.00 O ATOM 0 H SER B 46 3.810 21.134 -8.454 1.00 0.00 H new ATOM 0 HA SER B 46 1.962 22.405 -6.641 1.00 0.00 H new ATOM 0 HB2 SER B 46 2.711 22.990 -9.542 1.00 0.00 H new ATOM 0 HB3 SER B 46 1.817 24.065 -8.486 1.00 0.00 H new ATOM 0 HG SER B 46 4.083 24.579 -8.548 1.00 0.00 H new ATOM 1687 N GLY B 47 0.258 20.548 -7.519 1.00 0.00 N ATOM 1688 CA GLY B 47 -1.069 20.047 -7.813 1.00 0.00 C ATOM 1689 C GLY B 47 -1.145 19.173 -9.053 1.00 0.00 C ATOM 1690 O GLY B 47 -1.324 17.957 -8.948 1.00 0.00 O ATOM 0 H GLY B 47 0.735 20.060 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -1.427 19.475 -6.957 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -1.745 20.893 -7.937 1.00 0.00 H new ATOM 1694 N GLY B 48 -0.984 19.789 -10.221 1.00 0.00 N ATOM 1695 CA GLY B 48 -1.270 19.126 -11.486 1.00 0.00 C ATOM 1696 C GLY B 48 -0.219 18.122 -11.939 1.00 0.00 C ATOM 1697 O GLY B 48 0.218 18.161 -13.089 1.00 0.00 O ATOM 0 H GLY B 48 -0.656 20.750 -10.316 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -2.228 18.613 -11.401 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -1.382 19.886 -12.260 1.00 0.00 H new ATOM 1701 N GLN B 49 0.186 17.233 -11.043 1.00 0.00 N ATOM 1702 CA GLN B 49 1.028 16.097 -11.407 1.00 0.00 C ATOM 1703 C GLN B 49 0.525 14.835 -10.717 1.00 0.00 C ATOM 1704 O GLN B 49 0.803 13.720 -11.155 1.00 0.00 O ATOM 1705 CB GLN B 49 2.499 16.342 -11.054 1.00 0.00 C ATOM 1706 CG GLN B 49 3.181 17.354 -11.959 1.00 0.00 C ATOM 1707 CD GLN B 49 4.684 17.399 -11.765 1.00 0.00 C ATOM 1708 OE1 GLN B 49 5.311 16.397 -11.417 1.00 0.00 O ATOM 1709 NE2 GLN B 49 5.272 18.562 -11.995 1.00 0.00 N ATOM 0 H GLN B 49 -0.055 17.275 -10.053 1.00 0.00 H new ATOM 0 HA GLN B 49 0.966 15.970 -12.488 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.564 16.688 -10.022 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.039 15.397 -11.108 1.00 0.00 H new ATOM 0 HG2 GLN B 49 2.961 17.111 -12.998 1.00 0.00 H new ATOM 0 HG3 GLN B 49 2.765 18.343 -11.768 1.00 0.00 H new ATOM 0 HE21 GLN B 49 4.715 19.367 -12.282 1.00 0.00 H new ATOM 0 HE22 GLN B 49 6.282 18.653 -11.886 1.00 0.00 H new ATOM 1718 N ILE B 50 -0.205 15.019 -9.622 1.00 0.00 N ATOM 1719 CA ILE B 50 -0.835 13.911 -8.921 1.00 0.00 C ATOM 1720 C ILE B 50 -2.305 14.235 -8.672 1.00 0.00 C ATOM 1721 O ILE B 50 -2.626 15.103 -7.860 1.00 0.00 O ATOM 1722 CB ILE B 50 -0.159 13.586 -7.559 1.00 0.00 C ATOM 1723 CG1 ILE B 50 1.310 13.172 -7.733 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -0.921 12.484 -6.836 1.00 0.00 C ATOM 1725 CD1 ILE B 50 2.273 14.335 -7.817 1.00 0.00 C ATOM 0 H ILE B 50 -0.374 15.932 -9.200 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.725 13.034 -9.559 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.183 14.497 -6.961 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.598 12.535 -6.897 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.402 12.571 -8.638 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -0.434 12.269 -5.885 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.945 12.809 -6.654 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.930 11.584 -7.451 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.289 13.958 -7.939 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.013 14.962 -8.670 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.212 14.924 -6.902 1.00 0.00 H new ATOM 1737 N SER B 51 -3.188 13.564 -9.394 1.00 0.00 N ATOM 1738 CA SER B 51 -4.618 13.755 -9.208 1.00 0.00 C ATOM 1739 C SER B 51 -5.263 12.487 -8.656 1.00 0.00 C ATOM 1740 O SER B 51 -6.329 12.531 -8.037 1.00 0.00 O ATOM 1741 CB SER B 51 -5.273 14.144 -10.535 1.00 0.00 C ATOM 1742 OG SER B 51 -4.739 15.362 -11.033 1.00 0.00 O ATOM 0 H SER B 51 -2.941 12.884 -10.113 1.00 0.00 H new ATOM 0 HA SER B 51 -4.768 14.560 -8.488 1.00 0.00 H new ATOM 0 HB2 SER B 51 -5.119 13.350 -11.266 1.00 0.00 H new ATOM 0 HB3 SER B 51 -6.349 14.245 -10.396 1.00 0.00 H new ATOM 0 HG SER B 51 -5.173 15.587 -11.882 1.00 0.00 H new ATOM 1748 N SER B 52 -4.602 11.360 -8.877 1.00 0.00 N ATOM 1749 CA SER B 52 -5.117 10.074 -8.451 1.00 0.00 C ATOM 1750 C SER B 52 -3.986 9.210 -7.892 1.00 0.00 C ATOM 1751 O SER B 52 -2.810 9.543 -8.060 1.00 0.00 O ATOM 1752 CB SER B 52 -5.783 9.381 -9.644 1.00 0.00 C ATOM 1753 OG SER B 52 -4.857 9.185 -10.702 1.00 0.00 O ATOM 0 H SER B 52 -3.701 11.314 -9.353 1.00 0.00 H new ATOM 0 HA SER B 52 -5.854 10.219 -7.661 1.00 0.00 H new ATOM 0 HB2 SER B 52 -6.190 8.420 -9.330 1.00 0.00 H new ATOM 0 HB3 SER B 52 -6.621 9.982 -9.997 1.00 0.00 H new ATOM 0 HG SER B 52 -4.520 10.053 -11.007 1.00 0.00 H new ATOM 1759 N PRO B 53 -4.317 8.092 -7.215 1.00 0.00 N ATOM 1760 CA PRO B 53 -3.316 7.137 -6.723 1.00 0.00 C ATOM 1761 C PRO B 53 -2.446 6.586 -7.853 1.00 0.00 C ATOM 1762 O PRO B 53 -1.306 6.176 -7.628 1.00 0.00 O ATOM 1763 CB PRO B 53 -4.150 6.014 -6.087 1.00 0.00 C ATOM 1764 CG PRO B 53 -5.537 6.210 -6.603 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.683 7.681 -6.847 1.00 0.00 C ATOM 0 HA PRO B 53 -2.622 7.604 -6.024 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -3.763 5.033 -6.363 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -4.124 6.073 -4.999 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -5.695 5.645 -7.521 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -6.275 5.859 -5.882 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -6.396 7.889 -7.645 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -6.037 8.204 -5.959 1.00 0.00 H new ATOM 1773 N SER B 54 -2.986 6.589 -9.068 1.00 0.00 N ATOM 1774 CA SER B 54 -2.234 6.179 -10.244 1.00 0.00 C ATOM 1775 C SER B 54 -1.044 7.111 -10.455 1.00 0.00 C ATOM 1776 O SER B 54 0.091 6.660 -10.613 1.00 0.00 O ATOM 1777 CB SER B 54 -3.144 6.201 -11.471 1.00 0.00 C ATOM 1778 OG SER B 54 -4.336 5.476 -11.227 1.00 0.00 O ATOM 0 H SER B 54 -3.946 6.873 -9.262 1.00 0.00 H new ATOM 0 HA SER B 54 -1.862 5.165 -10.095 1.00 0.00 H new ATOM 0 HB2 SER B 54 -3.387 7.231 -11.731 1.00 0.00 H new ATOM 0 HB3 SER B 54 -2.620 5.772 -12.325 1.00 0.00 H new ATOM 0 HG SER B 54 -4.905 5.504 -12.024 1.00 0.00 H new ATOM 1784 N ASP B 55 -1.315 8.412 -10.423 1.00 0.00 N ATOM 1785 CA ASP B 55 -0.272 9.422 -10.573 1.00 0.00 C ATOM 1786 C ASP B 55 0.685 9.343 -9.401 1.00 0.00 C ATOM 1787 O ASP B 55 1.898 9.504 -9.554 1.00 0.00 O ATOM 1788 CB ASP B 55 -0.875 10.827 -10.629 1.00 0.00 C ATOM 1789 CG ASP B 55 -1.986 10.954 -11.644 1.00 0.00 C ATOM 1790 OD1 ASP B 55 -1.709 10.848 -12.855 1.00 0.00 O ATOM 1791 OD2 ASP B 55 -3.149 11.163 -11.232 1.00 0.00 O ATOM 0 H ASP B 55 -2.252 8.793 -10.294 1.00 0.00 H new ATOM 0 HA ASP B 55 0.258 9.228 -11.506 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -1.259 11.091 -9.644 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -0.089 11.544 -10.867 1.00 0.00 H new ATOM 1796 N LEU B 56 0.115 9.089 -8.231 1.00 0.00 N ATOM 1797 CA LEU B 56 0.878 8.945 -7.005 1.00 0.00 C ATOM 1798 C LEU B 56 1.926 7.845 -7.150 1.00 0.00 C ATOM 1799 O LEU B 56 3.123 8.104 -7.027 1.00 0.00 O ATOM 1800 CB LEU B 56 -0.068 8.631 -5.843 1.00 0.00 C ATOM 1801 CG LEU B 56 0.580 8.581 -4.460 1.00 0.00 C ATOM 1802 CD1 LEU B 56 1.146 9.942 -4.088 1.00 0.00 C ATOM 1803 CD2 LEU B 56 -0.428 8.117 -3.420 1.00 0.00 C ATOM 0 H LEU B 56 -0.891 8.977 -8.108 1.00 0.00 H new ATOM 0 HA LEU B 56 1.396 9.882 -6.800 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.858 9.382 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.545 7.670 -6.036 1.00 0.00 H new ATOM 0 HG LEU B 56 1.401 7.865 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.604 9.888 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU B 56 1.898 10.236 -4.821 1.00 0.00 H new ATOM 0 HD13 LEU B 56 0.343 10.679 -4.076 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.048 8.086 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -1.269 8.810 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -0.787 7.121 -3.680 1.00 0.00 H new ATOM 1815 N ARG B 57 1.479 6.624 -7.441 1.00 0.00 N ATOM 1816 CA ARG B 57 2.395 5.498 -7.588 1.00 0.00 C ATOM 1817 C ARG B 57 3.369 5.726 -8.740 1.00 0.00 C ATOM 1818 O ARG B 57 4.525 5.315 -8.666 1.00 0.00 O ATOM 1819 CB ARG B 57 1.637 4.177 -7.793 1.00 0.00 C ATOM 1820 CG ARG B 57 2.556 3.019 -8.162 1.00 0.00 C ATOM 1821 CD ARG B 57 1.864 1.662 -8.102 1.00 0.00 C ATOM 1822 NE ARG B 57 0.642 1.599 -8.904 1.00 0.00 N ATOM 1823 CZ ARG B 57 0.592 1.674 -10.238 1.00 0.00 C ATOM 1824 NH1 ARG B 57 1.697 1.860 -10.950 1.00 0.00 N ATOM 1825 NH2 ARG B 57 -0.574 1.545 -10.855 1.00 0.00 N ATOM 0 H ARG B 57 0.495 6.392 -7.578 1.00 0.00 H new ATOM 0 HA ARG B 57 2.963 5.425 -6.661 1.00 0.00 H new ATOM 0 HB2 ARG B 57 1.096 3.929 -6.880 1.00 0.00 H new ATOM 0 HB3 ARG B 57 0.893 4.309 -8.579 1.00 0.00 H new ATOM 0 HG2 ARG B 57 2.944 3.178 -9.168 1.00 0.00 H new ATOM 0 HG3 ARG B 57 3.412 3.013 -7.487 1.00 0.00 H new ATOM 0 HD2 ARG B 57 2.556 0.894 -8.446 1.00 0.00 H new ATOM 0 HD3 ARG B 57 1.622 1.431 -7.065 1.00 0.00 H new ATOM 0 HE ARG B 57 -0.241 1.489 -8.406 1.00 0.00 H new ATOM 0 HH11 ARG B 57 2.598 1.947 -10.480 1.00 0.00 H new ATOM 0 HH12 ARG B 57 1.645 1.915 -11.967 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -1.424 1.390 -10.312 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -0.622 1.601 -11.872 1.00 0.00 H new ATOM 1839 N GLU B 58 2.902 6.388 -9.792 1.00 0.00 N ATOM 1840 CA GLU B 58 3.734 6.673 -10.955 1.00 0.00 C ATOM 1841 C GLU B 58 4.973 7.473 -10.549 1.00 0.00 C ATOM 1842 O GLU B 58 6.107 7.069 -10.820 1.00 0.00 O ATOM 1843 CB GLU B 58 2.923 7.449 -11.997 1.00 0.00 C ATOM 1844 CG GLU B 58 3.621 7.595 -13.338 1.00 0.00 C ATOM 1845 CD GLU B 58 3.885 6.259 -14.000 1.00 0.00 C ATOM 1846 OE1 GLU B 58 2.926 5.644 -14.510 1.00 0.00 O ATOM 1847 OE2 GLU B 58 5.052 5.820 -14.021 1.00 0.00 O ATOM 0 H GLU B 58 1.947 6.739 -9.863 1.00 0.00 H new ATOM 0 HA GLU B 58 4.063 5.728 -11.388 1.00 0.00 H new ATOM 0 HB2 GLU B 58 1.968 6.945 -12.149 1.00 0.00 H new ATOM 0 HB3 GLU B 58 2.701 8.441 -11.604 1.00 0.00 H new ATOM 0 HG2 GLU B 58 3.009 8.210 -13.998 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.565 8.121 -13.198 1.00 0.00 H new ATOM 1854 N LYS B 59 4.747 8.591 -9.868 1.00 0.00 N ATOM 1855 CA LYS B 59 5.831 9.465 -9.450 1.00 0.00 C ATOM 1856 C LYS B 59 6.704 8.774 -8.405 1.00 0.00 C ATOM 1857 O LYS B 59 7.932 8.841 -8.463 1.00 0.00 O ATOM 1858 CB LYS B 59 5.257 10.765 -8.880 1.00 0.00 C ATOM 1859 CG LYS B 59 6.305 11.823 -8.563 1.00 0.00 C ATOM 1860 CD LYS B 59 6.940 12.399 -9.823 1.00 0.00 C ATOM 1861 CE LYS B 59 5.898 13.025 -10.735 1.00 0.00 C ATOM 1862 NZ LYS B 59 6.509 13.755 -11.875 1.00 0.00 N ATOM 0 H LYS B 59 3.818 8.912 -9.594 1.00 0.00 H new ATOM 0 HA LYS B 59 6.450 9.696 -10.317 1.00 0.00 H new ATOM 0 HB2 LYS B 59 4.544 11.178 -9.594 1.00 0.00 H new ATOM 0 HB3 LYS B 59 4.701 10.536 -7.971 1.00 0.00 H new ATOM 0 HG2 LYS B 59 5.845 12.628 -7.990 1.00 0.00 H new ATOM 0 HG3 LYS B 59 7.081 11.387 -7.934 1.00 0.00 H new ATOM 0 HD2 LYS B 59 7.682 13.149 -9.548 1.00 0.00 H new ATOM 0 HD3 LYS B 59 7.468 11.610 -10.359 1.00 0.00 H new ATOM 0 HE2 LYS B 59 5.239 12.246 -11.117 1.00 0.00 H new ATOM 0 HE3 LYS B 59 5.279 13.711 -10.157 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 6.184 14.743 -11.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 7.545 13.731 -11.788 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 6.226 13.303 -12.768 1.00 0.00 H new ATOM 1876 N LEU B 60 6.056 8.093 -7.468 1.00 0.00 N ATOM 1877 CA LEU B 60 6.757 7.420 -6.381 1.00 0.00 C ATOM 1878 C LEU B 60 7.652 6.301 -6.900 1.00 0.00 C ATOM 1879 O LEU B 60 8.807 6.196 -6.500 1.00 0.00 O ATOM 1880 CB LEU B 60 5.756 6.856 -5.376 1.00 0.00 C ATOM 1881 CG LEU B 60 4.917 7.899 -4.643 1.00 0.00 C ATOM 1882 CD1 LEU B 60 3.814 7.225 -3.853 1.00 0.00 C ATOM 1883 CD2 LEU B 60 5.789 8.741 -3.725 1.00 0.00 C ATOM 0 H LEU B 60 5.041 7.992 -7.439 1.00 0.00 H new ATOM 0 HA LEU B 60 7.389 8.159 -5.889 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.085 6.174 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.299 6.265 -4.638 1.00 0.00 H new ATOM 0 HG LEU B 60 4.464 8.558 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.223 7.981 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.171 6.664 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.253 6.545 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.171 9.478 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.271 8.097 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.550 9.252 -4.314 1.00 0.00 H new ATOM 1895 N SER B 61 7.119 5.473 -7.794 1.00 0.00 N ATOM 1896 CA SER B 61 7.876 4.350 -8.337 1.00 0.00 C ATOM 1897 C SER B 61 9.117 4.837 -9.067 1.00 0.00 C ATOM 1898 O SER B 61 10.189 4.254 -8.928 1.00 0.00 O ATOM 1899 CB SER B 61 7.012 3.512 -9.281 1.00 0.00 C ATOM 1900 OG SER B 61 5.902 2.961 -8.595 1.00 0.00 O ATOM 0 H SER B 61 6.169 5.558 -8.157 1.00 0.00 H new ATOM 0 HA SER B 61 8.184 3.724 -7.500 1.00 0.00 H new ATOM 0 HB2 SER B 61 6.663 4.131 -10.107 1.00 0.00 H new ATOM 0 HB3 SER B 61 7.611 2.711 -9.714 1.00 0.00 H new ATOM 0 HG SER B 61 5.214 3.649 -8.480 1.00 0.00 H new ATOM 1906 N GLU B 62 8.969 5.918 -9.823 1.00 0.00 N ATOM 1907 CA GLU B 62 10.083 6.485 -10.567 1.00 0.00 C ATOM 1908 C GLU B 62 11.212 6.883 -9.621 1.00 0.00 C ATOM 1909 O GLU B 62 12.369 6.508 -9.825 1.00 0.00 O ATOM 1910 CB GLU B 62 9.615 7.696 -11.381 1.00 0.00 C ATOM 1911 CG GLU B 62 10.711 8.328 -12.223 1.00 0.00 C ATOM 1912 CD GLU B 62 10.197 9.451 -13.099 1.00 0.00 C ATOM 1913 OE1 GLU B 62 10.184 10.610 -12.644 1.00 0.00 O ATOM 1914 OE2 GLU B 62 9.805 9.178 -14.254 1.00 0.00 O ATOM 0 H GLU B 62 8.087 6.419 -9.936 1.00 0.00 H new ATOM 0 HA GLU B 62 10.462 5.728 -11.254 1.00 0.00 H new ATOM 0 HB2 GLU B 62 8.798 7.389 -12.035 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.214 8.447 -10.700 1.00 0.00 H new ATOM 0 HG2 GLU B 62 11.492 8.712 -11.567 1.00 0.00 H new ATOM 0 HG3 GLU B 62 11.169 7.563 -12.850 1.00 0.00 H new ATOM 1921 N LEU B 63 10.862 7.611 -8.567 1.00 0.00 N ATOM 1922 CA LEU B 63 11.848 8.094 -7.608 1.00 0.00 C ATOM 1923 C LEU B 63 12.411 6.945 -6.769 1.00 0.00 C ATOM 1924 O LEU B 63 13.623 6.826 -6.600 1.00 0.00 O ATOM 1925 CB LEU B 63 11.227 9.150 -6.689 1.00 0.00 C ATOM 1926 CG LEU B 63 10.525 10.312 -7.401 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.002 11.313 -6.387 1.00 0.00 C ATOM 1928 CD2 LEU B 63 11.461 10.995 -8.388 1.00 0.00 C ATOM 0 H LEU B 63 9.901 7.880 -8.355 1.00 0.00 H new ATOM 0 HA LEU B 63 12.666 8.544 -8.170 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.507 8.659 -6.035 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.011 9.558 -6.051 1.00 0.00 H new ATOM 0 HG LEU B 63 9.682 9.907 -7.961 1.00 0.00 H new ATOM 0 HD11 LEU B 63 9.506 12.132 -6.907 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.291 10.821 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU B 63 10.833 11.705 -5.801 1.00 0.00 H new ATOM 0 HD21 LEU B 63 10.937 11.815 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU B 63 12.329 11.385 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU B 63 11.789 10.274 -9.137 1.00 0.00 H new ATOM 1940 N ALA B 64 11.525 6.094 -6.260 1.00 0.00 N ATOM 1941 CA ALA B 64 11.926 4.994 -5.384 1.00 0.00 C ATOM 1942 C ALA B 64 12.835 4.009 -6.106 1.00 0.00 C ATOM 1943 O ALA B 64 13.814 3.521 -5.538 1.00 0.00 O ATOM 1944 CB ALA B 64 10.704 4.269 -4.839 1.00 0.00 C ATOM 0 H ALA B 64 10.522 6.144 -6.439 1.00 0.00 H new ATOM 0 HA ALA B 64 12.484 5.425 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.024 3.454 -4.190 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.091 4.967 -4.270 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.121 3.866 -5.667 1.00 0.00 H new ATOM 1950 N ASP B 65 12.516 3.723 -7.362 1.00 0.00 N ATOM 1951 CA ASP B 65 13.298 2.775 -8.145 1.00 0.00 C ATOM 1952 C ASP B 65 14.660 3.368 -8.488 1.00 0.00 C ATOM 1953 O ASP B 65 15.658 2.650 -8.567 1.00 0.00 O ATOM 1954 CB ASP B 65 12.554 2.377 -9.420 1.00 0.00 C ATOM 1955 CG ASP B 65 13.213 1.214 -10.128 1.00 0.00 C ATOM 1956 OD1 ASP B 65 13.047 0.063 -9.667 1.00 0.00 O ATOM 1957 OD2 ASP B 65 13.894 1.437 -11.150 1.00 0.00 O ATOM 0 H ASP B 65 11.724 4.132 -7.859 1.00 0.00 H new ATOM 0 HA ASP B 65 13.448 1.878 -7.544 1.00 0.00 H new ATOM 0 HB2 ASP B 65 11.526 2.113 -9.171 1.00 0.00 H new ATOM 0 HB3 ASP B 65 12.509 3.232 -10.094 1.00 0.00 H new ATOM 1962 N ALA B 66 14.699 4.686 -8.667 1.00 0.00 N ATOM 1963 CA ALA B 66 15.953 5.389 -8.910 1.00 0.00 C ATOM 1964 C ALA B 66 16.841 5.343 -7.669 1.00 0.00 C ATOM 1965 O ALA B 66 18.068 5.281 -7.769 1.00 0.00 O ATOM 1966 CB ALA B 66 15.685 6.826 -9.325 1.00 0.00 C ATOM 0 H ALA B 66 13.876 5.288 -8.648 1.00 0.00 H new ATOM 0 HA ALA B 66 16.477 4.889 -9.725 1.00 0.00 H new ATOM 0 HB1 ALA B 66 16.632 7.336 -9.502 1.00 0.00 H new ATOM 0 HB2 ALA B 66 15.091 6.836 -10.239 1.00 0.00 H new ATOM 0 HB3 ALA B 66 15.140 7.338 -8.532 1.00 0.00 H new ATOM 1972 N LYS B 67 16.211 5.372 -6.499 1.00 0.00 N ATOM 1973 CA LYS B 67 16.931 5.233 -5.235 1.00 0.00 C ATOM 1974 C LYS B 67 17.436 3.804 -5.074 1.00 0.00 C ATOM 1975 O LYS B 67 18.478 3.562 -4.464 1.00 0.00 O ATOM 1976 CB LYS B 67 16.029 5.591 -4.050 1.00 0.00 C ATOM 1977 CG LYS B 67 15.512 7.019 -4.070 1.00 0.00 C ATOM 1978 CD LYS B 67 16.644 8.027 -3.977 1.00 0.00 C ATOM 1979 CE LYS B 67 16.116 9.452 -3.942 1.00 0.00 C ATOM 1980 NZ LYS B 67 17.213 10.447 -3.839 1.00 0.00 N ATOM 0 H LYS B 67 15.203 5.490 -6.398 1.00 0.00 H new ATOM 0 HA LYS B 67 17.777 5.920 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS B 67 15.179 4.909 -4.036 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.582 5.430 -3.125 1.00 0.00 H new ATOM 0 HG2 LYS B 67 14.948 7.189 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS B 67 14.823 7.168 -3.239 1.00 0.00 H new ATOM 0 HD2 LYS B 67 17.233 7.833 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.312 7.906 -4.830 1.00 0.00 H new ATOM 0 HE2 LYS B 67 15.534 9.646 -4.843 1.00 0.00 H new ATOM 0 HE3 LYS B 67 15.440 9.568 -3.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 16.811 11.406 -3.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 17.753 10.279 -2.966 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 17.844 10.354 -4.660 1.00 0.00 H new ATOM 1994 N GLY B 68 16.688 2.863 -5.632 1.00 0.00 N ATOM 1995 CA GLY B 68 17.045 1.466 -5.525 1.00 0.00 C ATOM 1996 C GLY B 68 16.158 0.731 -4.547 1.00 0.00 C ATOM 1997 O GLY B 68 16.618 -0.155 -3.823 1.00 0.00 O ATOM 0 H GLY B 68 15.835 3.046 -6.160 1.00 0.00 H new ATOM 0 HA2 GLY B 68 16.971 0.996 -6.506 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.084 1.380 -5.208 1.00 0.00 H new ATOM 2001 N GLY B 69 14.887 1.104 -4.515 1.00 0.00 N ATOM 2002 CA GLY B 69 13.944 0.461 -3.629 1.00 0.00 C ATOM 2003 C GLY B 69 12.834 -0.229 -4.390 1.00 0.00 C ATOM 2004 O GLY B 69 12.487 0.175 -5.502 1.00 0.00 O ATOM 0 H GLY B 69 14.492 1.846 -5.092 1.00 0.00 H new ATOM 0 HA2 GLY B 69 14.467 -0.268 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY B 69 13.515 1.203 -2.955 1.00 0.00 H new ATOM 2008 N LYS B 70 12.275 -1.270 -3.796 1.00 0.00 N ATOM 2009 CA LYS B 70 11.221 -2.039 -4.443 1.00 0.00 C ATOM 2010 C LYS B 70 9.890 -1.820 -3.735 1.00 0.00 C ATOM 2011 O LYS B 70 8.826 -1.875 -4.350 1.00 0.00 O ATOM 2012 CB LYS B 70 11.581 -3.527 -4.446 1.00 0.00 C ATOM 2013 CG LYS B 70 10.564 -4.403 -5.163 1.00 0.00 C ATOM 2014 CD LYS B 70 10.483 -4.076 -6.648 1.00 0.00 C ATOM 2015 CE LYS B 70 11.776 -4.424 -7.368 1.00 0.00 C ATOM 2016 NZ LYS B 70 12.098 -5.872 -7.255 1.00 0.00 N ATOM 0 H LYS B 70 12.532 -1.603 -2.867 1.00 0.00 H new ATOM 0 HA LYS B 70 11.124 -1.698 -5.474 1.00 0.00 H new ATOM 0 HB2 LYS B 70 12.555 -3.655 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS B 70 11.680 -3.870 -3.416 1.00 0.00 H new ATOM 0 HG2 LYS B 70 10.834 -5.451 -5.036 1.00 0.00 H new ATOM 0 HG3 LYS B 70 9.583 -4.269 -4.707 1.00 0.00 H new ATOM 0 HD2 LYS B 70 9.656 -4.625 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS B 70 10.268 -3.015 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS B 70 11.691 -4.151 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS B 70 12.594 -3.836 -6.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 12.828 -6.121 -7.953 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 12.450 -6.076 -6.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 11.241 -6.433 -7.435 1.00 0.00 H new ATOM 2030 N TYR B 71 9.957 -1.561 -2.442 1.00 0.00 N ATOM 2031 CA TYR B 71 8.762 -1.376 -1.639 1.00 0.00 C ATOM 2032 C TYR B 71 8.837 -0.047 -0.914 1.00 0.00 C ATOM 2033 O TYR B 71 9.904 0.345 -0.445 1.00 0.00 O ATOM 2034 CB TYR B 71 8.616 -2.514 -0.624 1.00 0.00 C ATOM 2035 CG TYR B 71 8.594 -3.894 -1.246 1.00 0.00 C ATOM 2036 CD1 TYR B 71 7.416 -4.434 -1.743 1.00 0.00 C ATOM 2037 CD2 TYR B 71 9.754 -4.654 -1.339 1.00 0.00 C ATOM 2038 CE1 TYR B 71 7.393 -5.691 -2.316 1.00 0.00 C ATOM 2039 CE2 TYR B 71 9.738 -5.912 -1.910 1.00 0.00 C ATOM 2040 CZ TYR B 71 8.555 -6.424 -2.398 1.00 0.00 C ATOM 2041 OH TYR B 71 8.537 -7.674 -2.975 1.00 0.00 O ATOM 0 H TYR B 71 10.831 -1.474 -1.923 1.00 0.00 H new ATOM 0 HA TYR B 71 7.893 -1.383 -2.296 1.00 0.00 H new ATOM 0 HB2 TYR B 71 9.440 -2.460 0.088 1.00 0.00 H new ATOM 0 HB3 TYR B 71 7.696 -2.367 -0.058 1.00 0.00 H new ATOM 0 HD1 TYR B 71 6.502 -3.862 -1.681 1.00 0.00 H new ATOM 0 HD2 TYR B 71 10.683 -4.255 -0.959 1.00 0.00 H new ATOM 0 HE1 TYR B 71 6.468 -6.096 -2.698 1.00 0.00 H new ATOM 0 HE2 TYR B 71 10.647 -6.491 -1.974 1.00 0.00 H new ATOM 0 HH TYR B 71 9.439 -8.057 -2.955 1.00 0.00 H new ATOM 2051 N TYR B 72 7.726 0.655 -0.839 1.00 0.00 N ATOM 2052 CA TYR B 72 7.682 1.907 -0.110 1.00 0.00 C ATOM 2053 C TYR B 72 6.379 2.021 0.665 1.00 0.00 C ATOM 2054 O TYR B 72 5.412 1.315 0.378 1.00 0.00 O ATOM 2055 CB TYR B 72 7.865 3.108 -1.051 1.00 0.00 C ATOM 2056 CG TYR B 72 6.809 3.240 -2.128 1.00 0.00 C ATOM 2057 CD1 TYR B 72 5.608 3.888 -1.876 1.00 0.00 C ATOM 2058 CD2 TYR B 72 7.022 2.727 -3.401 1.00 0.00 C ATOM 2059 CE1 TYR B 72 4.650 4.019 -2.858 1.00 0.00 C ATOM 2060 CE2 TYR B 72 6.065 2.854 -4.390 1.00 0.00 C ATOM 2061 CZ TYR B 72 4.881 3.501 -4.113 1.00 0.00 C ATOM 2062 OH TYR B 72 3.928 3.641 -5.096 1.00 0.00 O ATOM 0 H TYR B 72 6.844 0.382 -1.272 1.00 0.00 H new ATOM 0 HA TYR B 72 8.510 1.915 0.599 1.00 0.00 H new ATOM 0 HB2 TYR B 72 7.871 4.021 -0.455 1.00 0.00 H new ATOM 0 HB3 TYR B 72 8.842 3.032 -1.528 1.00 0.00 H new ATOM 0 HD1 TYR B 72 5.421 4.296 -0.894 1.00 0.00 H new ATOM 0 HD2 TYR B 72 7.950 2.221 -3.622 1.00 0.00 H new ATOM 0 HE1 TYR B 72 3.721 4.526 -2.644 1.00 0.00 H new ATOM 0 HE2 TYR B 72 6.245 2.448 -5.375 1.00 0.00 H new ATOM 0 HH TYR B 72 3.275 4.319 -4.824 1.00 0.00 H new ATOM 2072 N HIS B 73 6.370 2.894 1.656 1.00 0.00 N ATOM 2073 CA HIS B 73 5.181 3.122 2.461 1.00 0.00 C ATOM 2074 C HIS B 73 4.861 4.607 2.540 1.00 0.00 C ATOM 2075 O HIS B 73 5.724 5.416 2.883 1.00 0.00 O ATOM 2076 CB HIS B 73 5.364 2.545 3.871 1.00 0.00 C ATOM 2077 CG HIS B 73 4.245 2.894 4.808 1.00 0.00 C ATOM 2078 ND1 HIS B 73 2.973 2.385 4.684 1.00 0.00 N ATOM 2079 CD2 HIS B 73 4.209 3.733 5.870 1.00 0.00 C ATOM 2080 CE1 HIS B 73 2.201 2.898 5.625 1.00 0.00 C ATOM 2081 NE2 HIS B 73 2.928 3.719 6.361 1.00 0.00 N ATOM 0 H HIS B 73 7.175 3.459 1.924 1.00 0.00 H new ATOM 0 HA HIS B 73 4.345 2.612 1.981 1.00 0.00 H new ATOM 0 HB2 HIS B 73 5.447 1.460 3.804 1.00 0.00 H new ATOM 0 HB3 HIS B 73 6.303 2.911 4.286 1.00 0.00 H new ATOM 0 HD1 HIS B 73 2.673 1.715 3.975 1.00 0.00 H new ATOM 0 HD2 HIS B 73 5.037 4.308 6.259 1.00 0.00 H new ATOM 0 HE1 HIS B 73 1.152 2.683 5.768 1.00 0.00 H new ATOM 2090 N ILE B 74 3.625 4.954 2.216 1.00 0.00 N ATOM 2091 CA ILE B 74 3.152 6.326 2.339 1.00 0.00 C ATOM 2092 C ILE B 74 3.028 6.715 3.806 1.00 0.00 C ATOM 2093 O ILE B 74 2.312 6.073 4.573 1.00 0.00 O ATOM 2094 CB ILE B 74 1.785 6.518 1.645 1.00 0.00 C ATOM 2095 CG1 ILE B 74 1.909 6.255 0.143 1.00 0.00 C ATOM 2096 CG2 ILE B 74 1.242 7.920 1.895 1.00 0.00 C ATOM 2097 CD1 ILE B 74 2.875 7.187 -0.552 1.00 0.00 C ATOM 0 H ILE B 74 2.926 4.300 1.863 1.00 0.00 H new ATOM 0 HA ILE B 74 3.884 6.968 1.849 1.00 0.00 H new ATOM 0 HB ILE B 74 1.083 5.800 2.069 1.00 0.00 H new ATOM 0 HG12 ILE B 74 2.233 5.226 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE B 74 0.926 6.353 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.279 8.031 1.397 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.116 8.076 2.966 1.00 0.00 H new ATOM 0 HG23 ILE B 74 1.942 8.657 1.501 1.00 0.00 H new ATOM 0 HD11 ILE B 74 2.914 6.945 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE B 74 2.541 8.217 -0.427 1.00 0.00 H new ATOM 0 HD13 ILE B 74 3.868 7.072 -0.117 1.00 0.00 H new ATOM 2109 N ILE B 75 3.751 7.750 4.202 1.00 0.00 N ATOM 2110 CA ILE B 75 3.660 8.253 5.563 1.00 0.00 C ATOM 2111 C ILE B 75 2.963 9.605 5.583 1.00 0.00 C ATOM 2112 O ILE B 75 2.499 10.062 6.627 1.00 0.00 O ATOM 2113 CB ILE B 75 5.047 8.377 6.230 1.00 0.00 C ATOM 2114 CG1 ILE B 75 5.951 9.315 5.426 1.00 0.00 C ATOM 2115 CG2 ILE B 75 5.685 7.003 6.373 1.00 0.00 C ATOM 2116 CD1 ILE B 75 7.300 9.563 6.065 1.00 0.00 C ATOM 0 H ILE B 75 4.404 8.256 3.604 1.00 0.00 H new ATOM 0 HA ILE B 75 3.077 7.530 6.133 1.00 0.00 H new ATOM 0 HB ILE B 75 4.919 8.804 7.225 1.00 0.00 H new ATOM 0 HG12 ILE B 75 6.103 8.894 4.432 1.00 0.00 H new ATOM 0 HG13 ILE B 75 5.442 10.270 5.294 1.00 0.00 H new ATOM 0 HG21 ILE B 75 6.663 7.103 6.845 1.00 0.00 H new ATOM 0 HG22 ILE B 75 5.048 6.368 6.989 1.00 0.00 H new ATOM 0 HG23 ILE B 75 5.802 6.552 5.388 1.00 0.00 H new ATOM 0 HD11 ILE B 75 7.882 10.237 5.436 1.00 0.00 H new ATOM 0 HD12 ILE B 75 7.160 10.014 7.047 1.00 0.00 H new ATOM 0 HD13 ILE B 75 7.831 8.617 6.172 1.00 0.00 H new ATOM 2128 N ALA B 76 2.893 10.236 4.419 1.00 0.00 N ATOM 2129 CA ALA B 76 2.235 11.524 4.284 1.00 0.00 C ATOM 2130 C ALA B 76 1.736 11.727 2.860 1.00 0.00 C ATOM 2131 O ALA B 76 2.499 11.598 1.904 1.00 0.00 O ATOM 2132 CB ALA B 76 3.185 12.647 4.671 1.00 0.00 C ATOM 0 H ALA B 76 3.287 9.873 3.551 1.00 0.00 H new ATOM 0 HA ALA B 76 1.377 11.541 4.956 1.00 0.00 H new ATOM 0 HB1 ALA B 76 2.678 13.606 4.565 1.00 0.00 H new ATOM 0 HB2 ALA B 76 3.500 12.516 5.706 1.00 0.00 H new ATOM 0 HB3 ALA B 76 4.059 12.625 4.020 1.00 0.00 H new ATOM 2138 N ALA B 77 0.457 12.032 2.732 1.00 0.00 N ATOM 2139 CA ALA B 77 -0.149 12.322 1.440 1.00 0.00 C ATOM 2140 C ALA B 77 -1.004 13.572 1.562 1.00 0.00 C ATOM 2141 O ALA B 77 -2.164 13.605 1.141 1.00 0.00 O ATOM 2142 CB ALA B 77 -0.985 11.141 0.963 1.00 0.00 C ATOM 0 H ALA B 77 -0.192 12.086 3.517 1.00 0.00 H new ATOM 0 HA ALA B 77 0.635 12.493 0.702 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -1.430 11.377 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA B 77 -0.349 10.261 0.865 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -1.775 10.939 1.686 1.00 0.00 H new ATOM 2148 N ARG B 78 -0.409 14.606 2.133 1.00 0.00 N ATOM 2149 CA ARG B 78 -1.139 15.807 2.492 1.00 0.00 C ATOM 2150 C ARG B 78 -1.261 16.761 1.311 1.00 0.00 C ATOM 2151 O ARG B 78 -0.362 16.859 0.470 1.00 0.00 O ATOM 2152 CB ARG B 78 -0.463 16.517 3.672 1.00 0.00 C ATOM 2153 CG ARG B 78 0.923 17.065 3.364 1.00 0.00 C ATOM 2154 CD ARG B 78 1.473 17.873 4.529 1.00 0.00 C ATOM 2155 NE ARG B 78 1.685 17.051 5.721 1.00 0.00 N ATOM 2156 CZ ARG B 78 1.148 17.308 6.915 1.00 0.00 C ATOM 2157 NH1 ARG B 78 0.370 18.368 7.084 1.00 0.00 N ATOM 2158 NH2 ARG B 78 1.399 16.505 7.944 1.00 0.00 N ATOM 0 H ARG B 78 0.585 14.636 2.359 1.00 0.00 H new ATOM 0 HA ARG B 78 -2.143 15.503 2.787 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -1.101 17.338 4.000 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -0.388 15.819 4.506 1.00 0.00 H new ATOM 0 HG2 ARG B 78 1.600 16.241 3.140 1.00 0.00 H new ATOM 0 HG3 ARG B 78 0.878 17.692 2.474 1.00 0.00 H new ATOM 0 HD2 ARG B 78 2.416 18.335 4.236 1.00 0.00 H new ATOM 0 HD3 ARG B 78 0.782 18.682 4.766 1.00 0.00 H new ATOM 0 HE ARG B 78 2.282 16.228 5.633 1.00 0.00 H new ATOM 0 HH11 ARG B 78 0.180 18.991 6.299 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -0.038 18.560 7.999 1.00 0.00 H new ATOM 0 HH21 ARG B 78 2.002 15.692 7.821 1.00 0.00 H new ATOM 0 HH22 ARG B 78 0.988 16.702 8.857 1.00 0.00 H new ATOM 2172 N GLU B 79 -2.379 17.462 1.256 1.00 0.00 N ATOM 2173 CA GLU B 79 -2.604 18.454 0.225 1.00 0.00 C ATOM 2174 C GLU B 79 -2.261 19.829 0.787 1.00 0.00 C ATOM 2175 O GLU B 79 -3.112 20.522 1.346 1.00 0.00 O ATOM 2176 CB GLU B 79 -4.055 18.403 -0.256 1.00 0.00 C ATOM 2177 CG GLU B 79 -4.287 19.089 -1.589 1.00 0.00 C ATOM 2178 CD GLU B 79 -5.723 18.978 -2.049 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -6.326 17.892 -1.879 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -6.265 19.975 -2.569 1.00 0.00 O ATOM 0 H GLU B 79 -3.148 17.360 1.918 1.00 0.00 H new ATOM 0 HA GLU B 79 -1.966 18.248 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -4.364 17.361 -0.337 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -4.693 18.867 0.496 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -4.015 20.141 -1.506 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -3.632 18.649 -2.341 1.00 0.00 H new ATOM 2187 N HIS B 80 -0.999 20.196 0.655 1.00 0.00 N ATOM 2188 CA HIS B 80 -0.461 21.401 1.275 1.00 0.00 C ATOM 2189 C HIS B 80 -0.749 22.624 0.407 1.00 0.00 C ATOM 2190 O HIS B 80 0.159 23.197 -0.199 1.00 0.00 O ATOM 2191 CB HIS B 80 1.052 21.234 1.474 1.00 0.00 C ATOM 2192 CG HIS B 80 1.673 22.188 2.448 1.00 0.00 C ATOM 2193 ND1 HIS B 80 2.747 21.845 3.236 1.00 0.00 N ATOM 2194 CD2 HIS B 80 1.387 23.477 2.753 1.00 0.00 C ATOM 2195 CE1 HIS B 80 3.092 22.873 3.984 1.00 0.00 C ATOM 2196 NE2 HIS B 80 2.283 23.880 3.713 1.00 0.00 N ATOM 0 H HIS B 80 -0.314 19.668 0.114 1.00 0.00 H new ATOM 0 HA HIS B 80 -0.940 21.551 2.242 1.00 0.00 H new ATOM 0 HB2 HIS B 80 1.249 20.216 1.810 1.00 0.00 H new ATOM 0 HB3 HIS B 80 1.545 21.352 0.509 1.00 0.00 H new ATOM 0 HD1 HIS B 80 3.206 20.934 3.240 1.00 0.00 H new ATOM 0 HD2 HIS B 80 0.600 24.077 2.321 1.00 0.00 H new ATOM 0 HE1 HIS B 80 3.901 22.889 4.699 1.00 0.00 H new ATOM 2205 N GLY B 81 -2.016 22.998 0.325 1.00 0.00 N ATOM 2206 CA GLY B 81 -2.393 24.159 -0.450 1.00 0.00 C ATOM 2207 C GLY B 81 -2.323 23.885 -1.935 1.00 0.00 C ATOM 2208 O GLY B 81 -2.986 22.973 -2.429 1.00 0.00 O ATOM 0 H GLY B 81 -2.791 22.517 0.782 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -3.405 24.462 -0.183 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -1.735 24.992 -0.202 1.00 0.00 H new ATOM 2212 N PRO B 82 -1.514 24.654 -2.673 1.00 0.00 N ATOM 2213 CA PRO B 82 -1.286 24.445 -4.095 1.00 0.00 C ATOM 2214 C PRO B 82 -0.188 23.415 -4.349 1.00 0.00 C ATOM 2215 O PRO B 82 0.236 23.204 -5.483 1.00 0.00 O ATOM 2216 CB PRO B 82 -0.846 25.829 -4.604 1.00 0.00 C ATOM 2217 CG PRO B 82 -0.731 26.713 -3.394 1.00 0.00 C ATOM 2218 CD PRO B 82 -0.766 25.817 -2.188 1.00 0.00 C ATOM 0 HA PRO B 82 -2.173 24.060 -4.597 1.00 0.00 H new ATOM 0 HB2 PRO B 82 0.107 25.764 -5.129 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -1.572 26.231 -5.310 1.00 0.00 H new ATOM 0 HG2 PRO B 82 0.196 27.286 -3.422 1.00 0.00 H new ATOM 0 HG3 PRO B 82 -1.549 27.433 -3.363 1.00 0.00 H new ATOM 0 HD2 PRO B 82 0.236 25.545 -1.857 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -1.262 26.294 -1.343 1.00 0.00 H new ATOM 2226 N ASN B 83 0.279 22.787 -3.278 1.00 0.00 N ATOM 2227 CA ASN B 83 1.343 21.799 -3.375 1.00 0.00 C ATOM 2228 C ASN B 83 0.904 20.484 -2.757 1.00 0.00 C ATOM 2229 O ASN B 83 0.522 20.438 -1.594 1.00 0.00 O ATOM 2230 CB ASN B 83 2.611 22.284 -2.660 1.00 0.00 C ATOM 2231 CG ASN B 83 3.152 23.583 -3.219 1.00 0.00 C ATOM 2232 OD1 ASN B 83 3.934 23.589 -4.171 1.00 0.00 O ATOM 2233 ND2 ASN B 83 2.758 24.695 -2.618 1.00 0.00 N ATOM 0 H ASN B 83 -0.064 22.945 -2.330 1.00 0.00 H new ATOM 0 HA ASN B 83 1.561 21.654 -4.433 1.00 0.00 H new ATOM 0 HB2 ASN B 83 2.395 22.415 -1.600 1.00 0.00 H new ATOM 0 HB3 ASN B 83 3.380 21.515 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN B 83 3.103 25.599 -2.940 1.00 0.00 H new ATOM 0 HD22 ASN B 83 2.109 24.648 -1.833 1.00 0.00 H new ATOM 2240 N PHE B 84 0.956 19.418 -3.531 1.00 0.00 N ATOM 2241 CA PHE B 84 0.656 18.099 -3.007 1.00 0.00 C ATOM 2242 C PHE B 84 1.943 17.465 -2.509 1.00 0.00 C ATOM 2243 O PHE B 84 2.910 17.347 -3.265 1.00 0.00 O ATOM 2244 CB PHE B 84 0.007 17.217 -4.078 1.00 0.00 C ATOM 2245 CG PHE B 84 -0.401 15.863 -3.571 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -1.552 15.712 -2.814 1.00 0.00 C ATOM 2247 CD2 PHE B 84 0.367 14.743 -3.844 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.928 14.470 -2.339 1.00 0.00 C ATOM 2249 CE2 PHE B 84 -0.003 13.499 -3.371 1.00 0.00 C ATOM 2250 CZ PHE B 84 -1.153 13.362 -2.618 1.00 0.00 C ATOM 0 H PHE B 84 1.202 19.438 -4.521 1.00 0.00 H new ATOM 0 HA PHE B 84 -0.052 18.193 -2.184 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -0.870 17.727 -4.475 1.00 0.00 H new ATOM 0 HB3 PHE B 84 0.705 17.091 -4.906 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -2.162 16.575 -2.593 1.00 0.00 H new ATOM 0 HD2 PHE B 84 1.266 14.844 -4.434 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.827 14.366 -1.750 1.00 0.00 H new ATOM 0 HE2 PHE B 84 0.606 12.634 -3.590 1.00 0.00 H new ATOM 0 HZ PHE B 84 -1.445 12.390 -2.248 1.00 0.00 H new ATOM 2260 N GLU B 85 1.965 17.079 -1.242 1.00 0.00 N ATOM 2261 CA GLU B 85 3.161 16.510 -0.651 1.00 0.00 C ATOM 2262 C GLU B 85 2.967 15.034 -0.352 1.00 0.00 C ATOM 2263 O GLU B 85 2.240 14.663 0.571 1.00 0.00 O ATOM 2264 CB GLU B 85 3.551 17.252 0.628 1.00 0.00 C ATOM 2265 CG GLU B 85 3.800 18.737 0.428 1.00 0.00 C ATOM 2266 CD GLU B 85 4.452 19.378 1.634 1.00 0.00 C ATOM 2267 OE1 GLU B 85 3.791 19.498 2.687 1.00 0.00 O ATOM 2268 OE2 GLU B 85 5.640 19.751 1.542 1.00 0.00 O ATOM 0 H GLU B 85 1.170 17.150 -0.607 1.00 0.00 H new ATOM 0 HA GLU B 85 3.968 16.619 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU B 85 2.760 17.123 1.367 1.00 0.00 H new ATOM 0 HB3 GLU B 85 4.450 16.795 1.041 1.00 0.00 H new ATOM 0 HG2 GLU B 85 4.435 18.882 -0.446 1.00 0.00 H new ATOM 0 HG3 GLU B 85 2.854 19.237 0.221 1.00 0.00 H new ATOM 2275 N ALA B 86 3.618 14.203 -1.143 1.00 0.00 N ATOM 2276 CA ALA B 86 3.583 12.770 -0.942 1.00 0.00 C ATOM 2277 C ALA B 86 4.937 12.285 -0.452 1.00 0.00 C ATOM 2278 O ALA B 86 5.914 12.269 -1.198 1.00 0.00 O ATOM 2279 CB ALA B 86 3.196 12.060 -2.227 1.00 0.00 C ATOM 0 H ALA B 86 4.183 14.501 -1.938 1.00 0.00 H new ATOM 0 HA ALA B 86 2.831 12.539 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA B 86 3.175 10.984 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.209 12.396 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA B 86 3.926 12.290 -3.004 1.00 0.00 H new ATOM 2285 N VAL B 87 4.992 11.920 0.814 1.00 0.00 N ATOM 2286 CA VAL B 87 6.226 11.456 1.418 1.00 0.00 C ATOM 2287 C VAL B 87 6.135 9.961 1.697 1.00 0.00 C ATOM 2288 O VAL B 87 5.205 9.498 2.367 1.00 0.00 O ATOM 2289 CB VAL B 87 6.533 12.214 2.730 1.00 0.00 C ATOM 2290 CG1 VAL B 87 7.886 11.804 3.289 1.00 0.00 C ATOM 2291 CG2 VAL B 87 6.481 13.718 2.503 1.00 0.00 C ATOM 0 H VAL B 87 4.192 11.936 1.447 1.00 0.00 H new ATOM 0 HA VAL B 87 7.038 11.651 0.717 1.00 0.00 H new ATOM 0 HB VAL B 87 5.770 11.949 3.462 1.00 0.00 H new ATOM 0 HG11 VAL B 87 8.079 12.351 4.212 1.00 0.00 H new ATOM 0 HG12 VAL B 87 7.885 10.734 3.495 1.00 0.00 H new ATOM 0 HG13 VAL B 87 8.665 12.033 2.562 1.00 0.00 H new ATOM 0 HG21 VAL B 87 6.700 14.235 3.437 1.00 0.00 H new ATOM 0 HG22 VAL B 87 7.219 13.998 1.752 1.00 0.00 H new ATOM 0 HG23 VAL B 87 5.487 14.000 2.157 1.00 0.00 H new ATOM 2301 N ALA B 88 7.085 9.211 1.164 1.00 0.00 N ATOM 2302 CA ALA B 88 7.094 7.769 1.322 1.00 0.00 C ATOM 2303 C ALA B 88 8.462 7.278 1.770 1.00 0.00 C ATOM 2304 O ALA B 88 9.485 7.897 1.471 1.00 0.00 O ATOM 2305 CB ALA B 88 6.685 7.093 0.022 1.00 0.00 C ATOM 0 H ALA B 88 7.862 9.580 0.616 1.00 0.00 H new ATOM 0 HA ALA B 88 6.372 7.507 2.095 1.00 0.00 H new ATOM 0 HB1 ALA B 88 6.696 6.011 0.155 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.681 7.414 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.385 7.369 -0.767 1.00 0.00 H new ATOM 2311 N GLU B 89 8.473 6.158 2.470 1.00 0.00 N ATOM 2312 CA GLU B 89 9.706 5.573 2.974 1.00 0.00 C ATOM 2313 C GLU B 89 10.121 4.414 2.079 1.00 0.00 C ATOM 2314 O GLU B 89 9.341 3.491 1.851 1.00 0.00 O ATOM 2315 CB GLU B 89 9.503 5.080 4.408 1.00 0.00 C ATOM 2316 CG GLU B 89 9.041 6.163 5.370 1.00 0.00 C ATOM 2317 CD GLU B 89 10.169 7.050 5.862 1.00 0.00 C ATOM 2318 OE1 GLU B 89 11.170 7.224 5.135 1.00 0.00 O ATOM 2319 OE2 GLU B 89 10.072 7.554 7.002 1.00 0.00 O ATOM 0 H GLU B 89 7.633 5.629 2.705 1.00 0.00 H new ATOM 0 HA GLU B 89 10.491 6.329 2.971 1.00 0.00 H new ATOM 0 HB2 GLU B 89 8.770 4.273 4.405 1.00 0.00 H new ATOM 0 HB3 GLU B 89 10.439 4.658 4.773 1.00 0.00 H new ATOM 0 HG2 GLU B 89 8.291 6.781 4.877 1.00 0.00 H new ATOM 0 HG3 GLU B 89 8.556 5.695 6.227 1.00 0.00 H new ATOM 2326 N VAL B 90 11.341 4.476 1.571 1.00 0.00 N ATOM 2327 CA VAL B 90 11.824 3.502 0.600 1.00 0.00 C ATOM 2328 C VAL B 90 12.509 2.326 1.287 1.00 0.00 C ATOM 2329 O VAL B 90 13.427 2.513 2.091 1.00 0.00 O ATOM 2330 CB VAL B 90 12.809 4.155 -0.395 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.261 3.158 -1.452 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.181 5.376 -1.044 1.00 0.00 C ATOM 0 H VAL B 90 12.021 5.196 1.816 1.00 0.00 H new ATOM 0 HA VAL B 90 10.954 3.134 0.056 1.00 0.00 H new ATOM 0 HB VAL B 90 13.689 4.475 0.163 1.00 0.00 H new ATOM 0 HG11 VAL B 90 13.953 3.645 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL B 90 13.759 2.317 -0.970 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.394 2.797 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL B 90 12.890 5.822 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.280 5.080 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL B 90 11.921 6.104 -0.275 1.00 0.00 H new ATOM 2342 N TYR B 91 12.064 1.121 0.965 1.00 0.00 N ATOM 2343 CA TYR B 91 12.639 -0.093 1.522 1.00 0.00 C ATOM 2344 C TYR B 91 13.106 -1.033 0.413 1.00 0.00 C ATOM 2345 O TYR B 91 12.544 -1.056 -0.687 1.00 0.00 O ATOM 2346 CB TYR B 91 11.622 -0.807 2.416 1.00 0.00 C ATOM 2347 CG TYR B 91 11.294 -0.057 3.689 1.00 0.00 C ATOM 2348 CD1 TYR B 91 10.279 0.889 3.725 1.00 0.00 C ATOM 2349 CD2 TYR B 91 12.003 -0.301 4.857 1.00 0.00 C ATOM 2350 CE1 TYR B 91 9.980 1.573 4.889 1.00 0.00 C ATOM 2351 CE2 TYR B 91 11.712 0.378 6.024 1.00 0.00 C ATOM 2352 CZ TYR B 91 10.700 1.313 6.036 1.00 0.00 C ATOM 2353 OH TYR B 91 10.412 1.993 7.200 1.00 0.00 O ATOM 0 H TYR B 91 11.297 0.958 0.313 1.00 0.00 H new ATOM 0 HA TYR B 91 13.503 0.190 2.124 1.00 0.00 H new ATOM 0 HB2 TYR B 91 10.703 -0.964 1.851 1.00 0.00 H new ATOM 0 HB3 TYR B 91 12.009 -1.792 2.676 1.00 0.00 H new ATOM 0 HD1 TYR B 91 9.713 1.094 2.828 1.00 0.00 H new ATOM 0 HD2 TYR B 91 12.796 -1.034 4.853 1.00 0.00 H new ATOM 0 HE1 TYR B 91 9.187 2.306 4.900 1.00 0.00 H new ATOM 0 HE2 TYR B 91 12.275 0.177 6.923 1.00 0.00 H new ATOM 0 HH TYR B 91 11.012 1.689 7.913 1.00 0.00 H new ATOM 2363 N ASN B 92 14.141 -1.796 0.712 1.00 0.00 N ATOM 2364 CA ASN B 92 14.674 -2.784 -0.215 1.00 0.00 C ATOM 2365 C ASN B 92 14.803 -4.121 0.505 1.00 0.00 C ATOM 2366 O ASN B 92 14.990 -4.153 1.723 1.00 0.00 O ATOM 2367 CB ASN B 92 16.040 -2.326 -0.747 1.00 0.00 C ATOM 2368 CG ASN B 92 16.587 -3.222 -1.845 1.00 0.00 C ATOM 2369 OD1 ASN B 92 17.273 -4.205 -1.579 1.00 0.00 O ATOM 2370 ND2 ASN B 92 16.318 -2.870 -3.091 1.00 0.00 N ATOM 0 H ASN B 92 14.637 -1.751 1.602 1.00 0.00 H new ATOM 0 HA ASN B 92 13.998 -2.895 -1.063 1.00 0.00 H new ATOM 0 HB2 ASN B 92 15.951 -1.309 -1.128 1.00 0.00 H new ATOM 0 HB3 ASN B 92 16.752 -2.297 0.078 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.684 -3.421 -3.867 1.00 0.00 H new ATOM 0 HD22 ASN B 92 15.744 -2.047 -3.276 1.00 0.00 H new ATOM 2377 N ASP B 93 14.678 -5.215 -0.234 1.00 0.00 N ATOM 2378 CA ASP B 93 14.787 -6.548 0.349 1.00 0.00 C ATOM 2379 C ASP B 93 16.209 -6.801 0.847 1.00 0.00 C ATOM 2380 O ASP B 93 17.155 -6.157 0.389 1.00 0.00 O ATOM 2381 CB ASP B 93 14.386 -7.609 -0.680 1.00 0.00 C ATOM 2382 CG ASP B 93 14.482 -9.019 -0.136 1.00 0.00 C ATOM 2383 OD1 ASP B 93 13.892 -9.286 0.933 1.00 0.00 O ATOM 2384 OD2 ASP B 93 15.137 -9.867 -0.777 1.00 0.00 O ATOM 0 H ASP B 93 14.501 -5.207 -1.238 1.00 0.00 H new ATOM 0 HA ASP B 93 14.109 -6.611 1.200 1.00 0.00 H new ATOM 0 HB2 ASP B 93 13.365 -7.421 -1.010 1.00 0.00 H new ATOM 0 HB3 ASP B 93 15.027 -7.518 -1.557 1.00 0.00 H new ATOM 2389 N ALA B 94 16.359 -7.726 1.789 1.00 0.00 N ATOM 2390 CA ALA B 94 17.668 -8.052 2.342 1.00 0.00 C ATOM 2391 C ALA B 94 18.535 -8.750 1.298 1.00 0.00 C ATOM 2392 O ALA B 94 18.623 -9.978 1.253 1.00 0.00 O ATOM 2393 CB ALA B 94 17.527 -8.911 3.590 1.00 0.00 C ATOM 0 H ALA B 94 15.589 -8.264 2.186 1.00 0.00 H new ATOM 0 HA ALA B 94 18.160 -7.122 2.625 1.00 0.00 H new ATOM 0 HB1 ALA B 94 18.516 -9.142 3.986 1.00 0.00 H new ATOM 0 HB2 ALA B 94 16.953 -8.369 4.342 1.00 0.00 H new ATOM 0 HB3 ALA B 94 17.011 -9.838 3.338 1.00 0.00 H new