USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=34 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 37 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.17) USER MOD Set 1.2: B 40 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot 49:sc= 0.499 USER MOD Set 2.2: A 83 ASN : amide:sc= -0.698 K(o=-0.2,f=-2.6!) USER MOD Set 3.1: A 24 GLN : amide:sc= 0.39 K(o=0.18,f=-2.9!) USER MOD Set 3.2: A 72 TYR OH : rot 180:sc= -0.206 USER MOD Set 4.1: A 37 LYS NZ :NH3+ -178:sc= 1.7 (180deg=1.16) USER MOD Set 4.2: A 40 THR OG1 : rot 180:sc= 0.443 USER MOD Set 5.1: A 26 SER OG : rot 89:sc= 0.923 USER MOD Set 5.2: B 24 GLN : amide:sc= 0.361 K(o=1.3,f=0.094) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -2.55! C(o=-2.6!,f=-8.9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-4!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -2.05! C(o=-2.1!,f=-2.6!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.78) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc=-0.00266 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 59 LYS NZ :NH3+ 144:sc= 1.28 (180deg=0.719) USER MOD Single : A 61 SER OG : rot -87:sc= 1.17 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 1.09 (180deg=1.08) USER MOD Single : A 71 TYR OH : rot 38:sc= 1.19 USER MOD Single : A 73 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.5!) USER MOD Single : A 80 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5.9!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0.673 K(o=0.67,f=-7.4!) USER MOD Single : B 26 SER OG : rot -61:sc= 1.15 USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 GLN : amide:sc= -0.442 K(o=-0.44,f=-9.8!) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 HIS : no HD1:sc= -0.0195 X(o=-0.02,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= -1.18 K(o=-1.2,f=-6.2!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 GLN : amide:sc= -0.419 K(o=-0.42,f=-3.5!) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.44) USER MOD Single : B 51 SER OG : rot 180:sc= 0.0637 USER MOD Single : B 52 SER OG : rot 180:sc= 0.129 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 140:sc= 1.34 (180deg=1.08) USER MOD Single : B 61 SER OG : rot 73:sc= 1.2 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ 166:sc= 1.17 (180deg=1.15) USER MOD Single : B 71 TYR OH : rot -145:sc= 1.24 USER MOD Single : B 72 TYR OH : rot 180:sc= -0.138 USER MOD Single : B 73 HIS : no HE2:sc= 0.564 K(o=0.56,f=-4.7!) USER MOD Single : B 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 83 ASN :FLIP amide:sc= 0 F(o=-2.3,f=0) USER MOD Single : B 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= 1.04 K(o=1,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -6.426 -5.479 -9.276 1.00 0.00 N ATOM 2 CA ALA A 22 -6.868 -4.514 -8.245 1.00 0.00 C ATOM 3 C ALA A 22 -5.665 -3.810 -7.638 1.00 0.00 C ATOM 4 O ALA A 22 -4.580 -4.385 -7.557 1.00 0.00 O ATOM 5 CB ALA A 22 -7.677 -5.219 -7.169 1.00 0.00 C ATOM 0 HA ALA A 22 -7.507 -3.766 -8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.994 -4.495 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.555 -5.683 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.063 -5.986 -6.696 1.00 0.00 H new ATOM 13 N GLU A 23 -5.856 -2.570 -7.212 1.00 0.00 N ATOM 14 CA GLU A 23 -4.752 -1.766 -6.713 1.00 0.00 C ATOM 15 C GLU A 23 -4.786 -1.660 -5.193 1.00 0.00 C ATOM 16 O GLU A 23 -5.842 -1.776 -4.566 1.00 0.00 O ATOM 17 CB GLU A 23 -4.780 -0.369 -7.332 1.00 0.00 C ATOM 18 CG GLU A 23 -4.744 -0.367 -8.852 1.00 0.00 C ATOM 19 CD GLU A 23 -4.613 1.028 -9.426 1.00 0.00 C ATOM 20 OE1 GLU A 23 -5.646 1.704 -9.619 1.00 0.00 O ATOM 21 OE2 GLU A 23 -3.471 1.465 -9.676 1.00 0.00 O ATOM 0 H GLU A 23 -6.762 -2.101 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.826 -2.264 -7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.681 0.147 -6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.929 0.201 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.908 -0.977 -9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.654 -0.830 -9.235 1.00 0.00 H new ATOM 28 N GLN A 24 -3.618 -1.434 -4.616 1.00 0.00 N ATOM 29 CA GLN A 24 -3.472 -1.298 -3.176 1.00 0.00 C ATOM 30 C GLN A 24 -3.388 0.180 -2.812 1.00 0.00 C ATOM 31 O GLN A 24 -2.529 0.896 -3.324 1.00 0.00 O ATOM 32 CB GLN A 24 -2.210 -2.037 -2.730 1.00 0.00 C ATOM 33 CG GLN A 24 -1.995 -2.072 -1.227 1.00 0.00 C ATOM 34 CD GLN A 24 -0.768 -2.879 -0.855 1.00 0.00 C ATOM 35 OE1 GLN A 24 -0.399 -3.828 -1.553 1.00 0.00 O ATOM 36 NE2 GLN A 24 -0.127 -2.513 0.241 1.00 0.00 N ATOM 0 H GLN A 24 -2.744 -1.340 -5.133 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.333 -1.732 -2.668 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.254 -3.061 -3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.345 -1.566 -3.197 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.889 -1.054 -0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.873 -2.501 -0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.465 -1.723 0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.706 -3.021 0.538 1.00 0.00 H new ATOM 45 N VAL A 25 -4.281 0.634 -1.943 1.00 0.00 N ATOM 46 CA VAL A 25 -4.352 2.051 -1.606 1.00 0.00 C ATOM 47 C VAL A 25 -4.033 2.317 -0.143 1.00 0.00 C ATOM 48 O VAL A 25 -4.377 1.532 0.746 1.00 0.00 O ATOM 49 CB VAL A 25 -5.734 2.656 -1.933 1.00 0.00 C ATOM 50 CG1 VAL A 25 -5.896 2.834 -3.430 1.00 0.00 C ATOM 51 CG2 VAL A 25 -6.854 1.790 -1.371 1.00 0.00 C ATOM 0 H VAL A 25 -4.962 0.047 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.594 2.533 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.796 3.636 -1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.876 3.262 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.120 3.503 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.808 1.866 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.817 2.238 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.797 0.793 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.751 1.719 -0.288 1.00 0.00 H new ATOM 61 N SER A 26 -3.369 3.437 0.086 1.00 0.00 N ATOM 62 CA SER A 26 -3.046 3.895 1.424 1.00 0.00 C ATOM 63 C SER A 26 -4.254 4.609 2.031 1.00 0.00 C ATOM 64 O SER A 26 -5.139 5.061 1.298 1.00 0.00 O ATOM 65 CB SER A 26 -1.854 4.849 1.348 1.00 0.00 C ATOM 66 OG SER A 26 -0.949 4.442 0.334 1.00 0.00 O ATOM 0 H SER A 26 -3.038 4.056 -0.654 1.00 0.00 H new ATOM 0 HA SER A 26 -2.790 3.044 2.055 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.204 5.861 1.145 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.342 4.876 2.310 1.00 0.00 H new ATOM 0 HG SER A 26 -1.207 4.852 -0.518 1.00 0.00 H new ATOM 72 N LYS A 27 -4.295 4.732 3.357 1.00 0.00 N ATOM 73 CA LYS A 27 -5.421 5.392 4.018 1.00 0.00 C ATOM 74 C LYS A 27 -5.488 6.861 3.600 1.00 0.00 C ATOM 75 O LYS A 27 -6.561 7.466 3.583 1.00 0.00 O ATOM 76 CB LYS A 27 -5.320 5.270 5.547 1.00 0.00 C ATOM 77 CG LYS A 27 -4.181 6.065 6.162 1.00 0.00 C ATOM 78 CD LYS A 27 -4.140 5.918 7.673 1.00 0.00 C ATOM 79 CE LYS A 27 -3.027 6.757 8.279 1.00 0.00 C ATOM 80 NZ LYS A 27 -2.934 6.581 9.752 1.00 0.00 N ATOM 0 H LYS A 27 -3.572 4.388 3.989 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.338 4.893 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.260 5.601 5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.197 4.219 5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.234 5.730 5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.291 7.118 5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.098 6.220 8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.992 4.870 7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.077 6.483 7.821 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.200 7.808 8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.163 7.171 10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.832 6.866 10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.743 5.582 9.971 1.00 0.00 H new ATOM 94 N GLN A 28 -4.333 7.416 3.246 1.00 0.00 N ATOM 95 CA GLN A 28 -4.253 8.785 2.759 1.00 0.00 C ATOM 96 C GLN A 28 -4.988 8.915 1.429 1.00 0.00 C ATOM 97 O GLN A 28 -5.707 9.884 1.203 1.00 0.00 O ATOM 98 CB GLN A 28 -2.793 9.230 2.594 1.00 0.00 C ATOM 99 CG GLN A 28 -1.947 9.062 3.848 1.00 0.00 C ATOM 100 CD GLN A 28 -1.289 7.696 3.937 1.00 0.00 C ATOM 101 OE1 GLN A 28 -1.870 6.743 4.445 1.00 0.00 O ATOM 102 NE2 GLN A 28 -0.068 7.597 3.450 1.00 0.00 N ATOM 0 H GLN A 28 -3.435 6.933 3.289 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.727 9.432 3.497 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.340 8.659 1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.775 10.278 2.294 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.177 9.833 3.867 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.574 9.216 4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.383 8.412 3.035 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.426 6.705 3.488 1.00 0.00 H new ATOM 111 N GLU A 29 -4.820 7.919 0.562 1.00 0.00 N ATOM 112 CA GLU A 29 -5.469 7.922 -0.745 1.00 0.00 C ATOM 113 C GLU A 29 -6.978 7.812 -0.578 1.00 0.00 C ATOM 114 O GLU A 29 -7.742 8.545 -1.208 1.00 0.00 O ATOM 115 CB GLU A 29 -4.956 6.760 -1.601 1.00 0.00 C ATOM 116 CG GLU A 29 -3.489 6.876 -1.980 1.00 0.00 C ATOM 117 CD GLU A 29 -2.960 5.618 -2.641 1.00 0.00 C ATOM 118 OE1 GLU A 29 -3.242 5.401 -3.840 1.00 0.00 O ATOM 119 OE2 GLU A 29 -2.271 4.837 -1.953 1.00 0.00 O ATOM 0 H GLU A 29 -4.240 7.100 0.742 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.231 8.859 -1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.108 5.827 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.553 6.701 -2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.357 7.721 -2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.902 7.088 -1.087 1.00 0.00 H new ATOM 126 N ILE A 30 -7.389 6.904 0.300 1.00 0.00 N ATOM 127 CA ILE A 30 -8.800 6.648 0.558 1.00 0.00 C ATOM 128 C ILE A 30 -9.531 7.915 0.986 1.00 0.00 C ATOM 129 O ILE A 30 -10.614 8.211 0.491 1.00 0.00 O ATOM 130 CB ILE A 30 -8.971 5.574 1.651 1.00 0.00 C ATOM 131 CG1 ILE A 30 -8.281 4.279 1.223 1.00 0.00 C ATOM 132 CG2 ILE A 30 -10.447 5.329 1.935 1.00 0.00 C ATOM 133 CD1 ILE A 30 -8.279 3.213 2.293 1.00 0.00 C ATOM 0 H ILE A 30 -6.755 6.326 0.851 1.00 0.00 H new ATOM 0 HA ILE A 30 -9.234 6.291 -0.376 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.505 5.931 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.777 3.889 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.252 4.501 0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.547 4.568 2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.911 6.255 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.941 4.988 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.773 2.323 1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.757 3.584 3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.306 2.962 2.558 1.00 0.00 H new ATOM 145 N SER A 31 -8.930 8.664 1.896 1.00 0.00 N ATOM 146 CA SER A 31 -9.565 9.860 2.424 1.00 0.00 C ATOM 147 C SER A 31 -9.409 11.043 1.469 1.00 0.00 C ATOM 148 O SER A 31 -10.335 11.838 1.302 1.00 0.00 O ATOM 149 CB SER A 31 -8.979 10.199 3.797 1.00 0.00 C ATOM 150 OG SER A 31 -9.565 11.371 4.338 1.00 0.00 O ATOM 0 H SER A 31 -8.007 8.466 2.283 1.00 0.00 H new ATOM 0 HA SER A 31 -10.631 9.660 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.139 9.363 4.478 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.901 10.337 3.710 1.00 0.00 H new ATOM 0 HG SER A 31 -9.170 11.559 5.215 1.00 0.00 H new ATOM 156 N HIS A 32 -8.250 11.145 0.826 1.00 0.00 N ATOM 157 CA HIS A 32 -7.950 12.294 -0.023 1.00 0.00 C ATOM 158 C HIS A 32 -8.816 12.291 -1.279 1.00 0.00 C ATOM 159 O HIS A 32 -9.291 13.339 -1.712 1.00 0.00 O ATOM 160 CB HIS A 32 -6.471 12.307 -0.413 1.00 0.00 C ATOM 161 CG HIS A 32 -5.983 13.649 -0.865 1.00 0.00 C ATOM 162 ND1 HIS A 32 -5.335 14.524 -0.027 1.00 0.00 N ATOM 163 CD2 HIS A 32 -6.047 14.266 -2.070 1.00 0.00 C ATOM 164 CE1 HIS A 32 -5.024 15.619 -0.688 1.00 0.00 C ATOM 165 NE2 HIS A 32 -5.442 15.491 -1.931 1.00 0.00 N ATOM 0 H HIS A 32 -7.506 10.449 0.876 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.173 13.194 0.550 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.876 11.981 0.440 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.308 11.582 -1.211 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.491 13.869 -2.971 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.512 16.478 -0.280 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.334 16.187 -2.669 1.00 0.00 H new ATOM 174 N PHE A 33 -9.005 11.118 -1.870 1.00 0.00 N ATOM 175 CA PHE A 33 -9.831 11.002 -3.066 1.00 0.00 C ATOM 176 C PHE A 33 -11.262 10.643 -2.686 1.00 0.00 C ATOM 177 O PHE A 33 -12.190 10.832 -3.475 1.00 0.00 O ATOM 178 CB PHE A 33 -9.255 9.949 -4.017 1.00 0.00 C ATOM 179 CG PHE A 33 -7.870 10.274 -4.507 1.00 0.00 C ATOM 180 CD1 PHE A 33 -7.673 11.262 -5.460 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.766 9.597 -4.014 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.403 11.567 -5.910 1.00 0.00 C ATOM 183 CE2 PHE A 33 -5.493 9.897 -4.461 1.00 0.00 C ATOM 184 CZ PHE A 33 -5.312 10.883 -5.410 1.00 0.00 C ATOM 0 H PHE A 33 -8.601 10.240 -1.544 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.835 11.964 -3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.235 8.985 -3.509 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.919 9.844 -4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.522 11.799 -5.855 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.902 8.825 -3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.263 12.339 -6.652 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.641 9.361 -4.069 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.318 11.119 -5.761 1.00 0.00 H new ATOM 194 N LYS A 34 -11.417 10.148 -1.461 1.00 0.00 N ATOM 195 CA LYS A 34 -12.705 9.718 -0.922 1.00 0.00 C ATOM 196 C LYS A 34 -13.236 8.511 -1.689 1.00 0.00 C ATOM 197 O LYS A 34 -13.997 8.646 -2.649 1.00 0.00 O ATOM 198 CB LYS A 34 -13.727 10.860 -0.922 1.00 0.00 C ATOM 199 CG LYS A 34 -14.958 10.569 -0.078 1.00 0.00 C ATOM 200 CD LYS A 34 -14.599 10.381 1.390 1.00 0.00 C ATOM 201 CE LYS A 34 -13.999 11.644 1.988 1.00 0.00 C ATOM 202 NZ LYS A 34 -13.684 11.476 3.430 1.00 0.00 N ATOM 0 H LYS A 34 -10.643 10.033 -0.807 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.546 9.423 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.248 11.766 -0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.038 11.060 -1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.670 11.388 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -15.451 9.671 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.491 10.101 1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.890 9.559 1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.091 11.907 1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.696 12.472 1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.277 12.358 3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.555 11.250 3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.999 10.702 3.548 1.00 0.00 H new ATOM 216 N LEU A 35 -12.803 7.333 -1.265 1.00 0.00 N ATOM 217 CA LEU A 35 -13.198 6.089 -1.910 1.00 0.00 C ATOM 218 C LEU A 35 -14.419 5.490 -1.220 1.00 0.00 C ATOM 219 O LEU A 35 -14.777 5.893 -0.109 1.00 0.00 O ATOM 220 CB LEU A 35 -12.036 5.090 -1.884 1.00 0.00 C ATOM 221 CG LEU A 35 -10.756 5.563 -2.580 1.00 0.00 C ATOM 222 CD1 LEU A 35 -9.646 4.540 -2.407 1.00 0.00 C ATOM 223 CD2 LEU A 35 -11.016 5.823 -4.056 1.00 0.00 C ATOM 0 H LEU A 35 -12.174 7.212 -0.471 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.458 6.305 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.801 4.857 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.364 4.162 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.438 6.497 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.745 4.893 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.441 4.402 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.955 3.590 -2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.096 6.158 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.359 4.904 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.780 6.593 -4.161 1.00 0.00 H new ATOM 235 N VAL A 36 -15.054 4.531 -1.877 1.00 0.00 N ATOM 236 CA VAL A 36 -16.255 3.897 -1.349 1.00 0.00 C ATOM 237 C VAL A 36 -15.949 2.473 -0.889 1.00 0.00 C ATOM 238 O VAL A 36 -15.457 1.658 -1.667 1.00 0.00 O ATOM 239 CB VAL A 36 -17.375 3.870 -2.413 1.00 0.00 C ATOM 240 CG1 VAL A 36 -18.629 3.195 -1.879 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.692 5.280 -2.888 1.00 0.00 C ATOM 0 H VAL A 36 -14.755 4.172 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.596 4.483 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.016 3.287 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.398 3.192 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.397 2.169 -1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.992 3.740 -1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.483 5.242 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.022 5.883 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.799 5.726 -3.326 1.00 0.00 H new ATOM 251 N LYS A 37 -16.231 2.178 0.376 1.00 0.00 N ATOM 252 CA LYS A 37 -15.947 0.860 0.929 1.00 0.00 C ATOM 253 C LYS A 37 -17.062 -0.123 0.592 1.00 0.00 C ATOM 254 O LYS A 37 -18.248 0.188 0.728 1.00 0.00 O ATOM 255 CB LYS A 37 -15.750 0.934 2.449 1.00 0.00 C ATOM 256 CG LYS A 37 -15.446 -0.414 3.089 1.00 0.00 C ATOM 257 CD LYS A 37 -15.128 -0.282 4.569 1.00 0.00 C ATOM 258 CE LYS A 37 -14.908 -1.644 5.211 1.00 0.00 C ATOM 259 NZ LYS A 37 -14.474 -1.539 6.630 1.00 0.00 N ATOM 0 H LYS A 37 -16.654 2.832 1.035 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.022 0.503 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.935 1.623 2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.649 1.349 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.301 -1.078 2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.602 -0.877 2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.236 0.332 4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.945 0.233 5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.831 -2.221 5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.156 -2.193 4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.305 -2.491 7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.597 -0.983 6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.217 -1.069 7.186 1.00 0.00 H new ATOM 273 N VAL A 38 -16.669 -1.306 0.148 1.00 0.00 N ATOM 274 CA VAL A 38 -17.615 -2.361 -0.172 1.00 0.00 C ATOM 275 C VAL A 38 -17.817 -3.273 1.038 1.00 0.00 C ATOM 276 O VAL A 38 -18.944 -3.616 1.390 1.00 0.00 O ATOM 277 CB VAL A 38 -17.139 -3.201 -1.378 1.00 0.00 C ATOM 278 CG1 VAL A 38 -18.175 -4.251 -1.752 1.00 0.00 C ATOM 279 CG2 VAL A 38 -16.834 -2.301 -2.566 1.00 0.00 C ATOM 0 H VAL A 38 -15.692 -1.560 0.000 1.00 0.00 H new ATOM 0 HA VAL A 38 -18.561 -1.888 -0.436 1.00 0.00 H new ATOM 0 HB VAL A 38 -16.223 -3.718 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.816 -4.829 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.340 -4.917 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -19.112 -3.760 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.500 -2.909 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.733 -1.754 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -16.050 -1.594 -2.295 1.00 0.00 H new ATOM 289 N GLY A 39 -16.715 -3.636 1.688 1.00 0.00 N ATOM 290 CA GLY A 39 -16.779 -4.502 2.851 1.00 0.00 C ATOM 291 C GLY A 39 -15.403 -4.774 3.422 1.00 0.00 C ATOM 292 O GLY A 39 -14.430 -4.138 3.017 1.00 0.00 O ATOM 0 H GLY A 39 -15.773 -3.343 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.405 -4.041 3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -17.253 -5.445 2.577 1.00 0.00 H new ATOM 296 N THR A 40 -15.313 -5.702 4.361 1.00 0.00 N ATOM 297 CA THR A 40 -14.035 -6.069 4.956 1.00 0.00 C ATOM 298 C THR A 40 -13.744 -7.552 4.719 1.00 0.00 C ATOM 299 O THR A 40 -14.609 -8.405 4.937 1.00 0.00 O ATOM 300 CB THR A 40 -14.027 -5.779 6.471 1.00 0.00 C ATOM 301 OG1 THR A 40 -14.570 -4.473 6.725 1.00 0.00 O ATOM 302 CG2 THR A 40 -12.615 -5.860 7.036 1.00 0.00 C ATOM 0 H THR A 40 -16.112 -6.217 4.730 1.00 0.00 H new ATOM 0 HA THR A 40 -13.260 -5.468 4.480 1.00 0.00 H new ATOM 0 HB THR A 40 -14.642 -6.533 6.962 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.563 -4.298 7.689 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.639 -5.651 8.106 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.214 -6.860 6.870 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.981 -5.127 6.537 1.00 0.00 H new ATOM 310 N ILE A 41 -12.534 -7.858 4.270 1.00 0.00 N ATOM 311 CA ILE A 41 -12.164 -9.231 3.956 1.00 0.00 C ATOM 312 C ILE A 41 -11.079 -9.748 4.892 1.00 0.00 C ATOM 313 O ILE A 41 -10.303 -8.977 5.461 1.00 0.00 O ATOM 314 CB ILE A 41 -11.676 -9.383 2.501 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.578 -8.360 2.193 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.842 -9.244 1.533 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.981 -8.497 0.810 1.00 0.00 C ATOM 0 H ILE A 41 -11.793 -7.175 4.115 1.00 0.00 H new ATOM 0 HA ILE A 41 -13.070 -9.822 4.089 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.251 -10.379 2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.989 -7.357 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.783 -8.461 2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.481 -9.354 0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.582 -10.017 1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.299 -8.262 1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.212 -7.738 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.538 -9.487 0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.762 -8.365 0.062 1.00 0.00 H new ATOM 329 N ASN A 42 -11.042 -11.059 5.039 1.00 0.00 N ATOM 330 CA ASN A 42 -10.057 -11.722 5.876 1.00 0.00 C ATOM 331 C ASN A 42 -9.502 -12.932 5.147 1.00 0.00 C ATOM 332 O ASN A 42 -10.250 -13.846 4.796 1.00 0.00 O ATOM 333 CB ASN A 42 -10.691 -12.160 7.204 1.00 0.00 C ATOM 334 CG ASN A 42 -9.726 -12.911 8.109 1.00 0.00 C ATOM 335 OD1 ASN A 42 -9.562 -14.127 7.997 1.00 0.00 O ATOM 336 ND2 ASN A 42 -9.105 -12.202 9.037 1.00 0.00 N ATOM 0 H ASN A 42 -11.694 -11.696 4.581 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.248 -11.024 6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.062 -11.280 7.730 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.553 -12.794 6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.467 -12.661 9.688 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.264 -11.197 9.102 1.00 0.00 H new ATOM 343 N VAL A 43 -8.202 -12.931 4.903 1.00 0.00 N ATOM 344 CA VAL A 43 -7.553 -14.074 4.287 1.00 0.00 C ATOM 345 C VAL A 43 -6.841 -14.884 5.356 1.00 0.00 C ATOM 346 O VAL A 43 -5.763 -14.513 5.812 1.00 0.00 O ATOM 347 CB VAL A 43 -6.525 -13.650 3.212 1.00 0.00 C ATOM 348 CG1 VAL A 43 -5.854 -14.869 2.592 1.00 0.00 C ATOM 349 CG2 VAL A 43 -7.182 -12.803 2.135 1.00 0.00 C ATOM 0 H VAL A 43 -7.578 -12.154 5.121 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.326 -14.668 3.799 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.760 -13.048 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.135 -14.545 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.337 -15.434 3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.609 -15.502 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.438 -12.518 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.974 -13.377 1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.606 -11.906 2.586 1.00 0.00 H new ATOM 359 N SER A 44 -7.463 -15.973 5.766 1.00 0.00 N ATOM 360 CA SER A 44 -6.881 -16.847 6.765 1.00 0.00 C ATOM 361 C SER A 44 -6.561 -18.191 6.132 1.00 0.00 C ATOM 362 O SER A 44 -7.438 -19.038 5.963 1.00 0.00 O ATOM 363 CB SER A 44 -7.843 -17.016 7.946 1.00 0.00 C ATOM 364 OG SER A 44 -7.262 -17.784 8.991 1.00 0.00 O ATOM 0 H SER A 44 -8.375 -16.274 5.421 1.00 0.00 H new ATOM 0 HA SER A 44 -5.959 -16.406 7.143 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.125 -16.035 8.329 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.758 -17.500 7.604 1.00 0.00 H new ATOM 0 HG SER A 44 -7.902 -17.871 9.728 1.00 0.00 H new ATOM 370 N GLN A 45 -5.312 -18.366 5.740 1.00 0.00 N ATOM 371 CA GLN A 45 -4.890 -19.599 5.098 1.00 0.00 C ATOM 372 C GLN A 45 -3.790 -20.256 5.911 1.00 0.00 C ATOM 373 O GLN A 45 -3.089 -19.587 6.669 1.00 0.00 O ATOM 374 CB GLN A 45 -4.402 -19.335 3.671 1.00 0.00 C ATOM 375 CG GLN A 45 -5.419 -18.626 2.787 1.00 0.00 C ATOM 376 CD GLN A 45 -6.754 -19.344 2.714 1.00 0.00 C ATOM 377 OE1 GLN A 45 -6.829 -20.569 2.833 1.00 0.00 O ATOM 378 NE2 GLN A 45 -7.818 -18.583 2.509 1.00 0.00 N ATOM 0 H GLN A 45 -4.573 -17.672 5.854 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.748 -20.269 5.046 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.493 -18.735 3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.134 -20.285 3.208 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.578 -17.616 3.165 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.011 -18.529 1.781 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.712 -17.573 2.416 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.743 -19.007 2.444 1.00 0.00 H new ATOM 387 N SER A 46 -3.633 -21.558 5.741 1.00 0.00 N ATOM 388 CA SER A 46 -2.654 -22.320 6.500 1.00 0.00 C ATOM 389 C SER A 46 -1.261 -22.204 5.871 1.00 0.00 C ATOM 390 O SER A 46 -0.558 -23.198 5.695 1.00 0.00 O ATOM 391 CB SER A 46 -3.095 -23.787 6.578 1.00 0.00 C ATOM 392 OG SER A 46 -2.408 -24.481 7.608 1.00 0.00 O ATOM 0 H SER A 46 -4.175 -22.113 5.079 1.00 0.00 H new ATOM 0 HA SER A 46 -2.595 -21.912 7.509 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.169 -23.836 6.758 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.909 -24.276 5.622 1.00 0.00 H new ATOM 0 HG SER A 46 -2.451 -23.961 8.438 1.00 0.00 H new ATOM 398 N GLY A 47 -0.873 -20.980 5.523 1.00 0.00 N ATOM 399 CA GLY A 47 0.468 -20.724 5.020 1.00 0.00 C ATOM 400 C GLY A 47 0.650 -21.071 3.552 1.00 0.00 C ATOM 401 O GLY A 47 1.130 -20.250 2.775 1.00 0.00 O ATOM 0 H GLY A 47 -1.468 -20.154 5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.706 -19.670 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.183 -21.297 5.610 1.00 0.00 H new ATOM 405 N GLY A 48 0.242 -22.277 3.174 1.00 0.00 N ATOM 406 CA GLY A 48 0.497 -22.793 1.836 1.00 0.00 C ATOM 407 C GLY A 48 0.020 -21.897 0.702 1.00 0.00 C ATOM 408 O GLY A 48 0.581 -21.935 -0.392 1.00 0.00 O ATOM 0 H GLY A 48 -0.270 -22.918 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.569 -22.957 1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.014 -23.765 1.739 1.00 0.00 H new ATOM 412 N GLN A 49 -1.010 -21.091 0.940 1.00 0.00 N ATOM 413 CA GLN A 49 -1.563 -20.253 -0.121 1.00 0.00 C ATOM 414 C GLN A 49 -0.938 -18.858 -0.136 1.00 0.00 C ATOM 415 O GLN A 49 -1.277 -18.033 -0.983 1.00 0.00 O ATOM 416 CB GLN A 49 -3.085 -20.155 -0.012 1.00 0.00 C ATOM 417 CG GLN A 49 -3.789 -21.485 -0.225 1.00 0.00 C ATOM 418 CD GLN A 49 -5.265 -21.331 -0.536 1.00 0.00 C ATOM 419 OE1 GLN A 49 -5.914 -20.386 -0.090 1.00 0.00 O ATOM 420 NE2 GLN A 49 -5.801 -22.256 -1.316 1.00 0.00 N ATOM 0 H GLN A 49 -1.474 -21.000 1.844 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.314 -20.736 -1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.348 -19.766 0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.450 -19.437 -0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.305 -22.019 -1.043 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.674 -22.098 0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.227 -23.024 -1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.788 -22.201 -1.568 1.00 0.00 H new ATOM 429 N ILE A 50 -0.037 -18.593 0.802 1.00 0.00 N ATOM 430 CA ILE A 50 0.735 -17.355 0.795 1.00 0.00 C ATOM 431 C ILE A 50 2.212 -17.691 0.966 1.00 0.00 C ATOM 432 O ILE A 50 2.730 -17.740 2.080 1.00 0.00 O ATOM 433 CB ILE A 50 0.307 -16.334 1.892 1.00 0.00 C ATOM 434 CG1 ILE A 50 -1.168 -15.940 1.755 1.00 0.00 C ATOM 435 CG2 ILE A 50 1.176 -15.084 1.822 1.00 0.00 C ATOM 436 CD1 ILE A 50 -2.124 -16.901 2.424 1.00 0.00 C ATOM 0 H ILE A 50 0.178 -19.219 1.578 1.00 0.00 H new ATOM 0 HA ILE A 50 0.542 -16.872 -0.163 1.00 0.00 H new ATOM 0 HB ILE A 50 0.442 -16.820 2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.310 -14.947 2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.419 -15.872 0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.865 -14.381 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.219 -15.357 1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.066 -14.619 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.147 -16.554 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.013 -17.891 1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.902 -16.952 3.490 1.00 0.00 H new ATOM 448 N SER A 51 2.875 -17.966 -0.144 1.00 0.00 N ATOM 449 CA SER A 51 4.272 -18.358 -0.114 1.00 0.00 C ATOM 450 C SER A 51 5.178 -17.142 -0.269 1.00 0.00 C ATOM 451 O SER A 51 6.335 -17.150 0.154 1.00 0.00 O ATOM 452 CB SER A 51 4.538 -19.373 -1.222 1.00 0.00 C ATOM 453 OG SER A 51 3.630 -20.463 -1.130 1.00 0.00 O ATOM 0 H SER A 51 2.467 -17.925 -1.078 1.00 0.00 H new ATOM 0 HA SER A 51 4.492 -18.816 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.439 -18.892 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.562 -19.739 -1.150 1.00 0.00 H new ATOM 0 HG SER A 51 3.814 -21.103 -1.849 1.00 0.00 H new ATOM 459 N SER A 52 4.645 -16.096 -0.880 1.00 0.00 N ATOM 460 CA SER A 52 5.388 -14.864 -1.083 1.00 0.00 C ATOM 461 C SER A 52 4.429 -13.671 -1.072 1.00 0.00 C ATOM 462 O SER A 52 3.209 -13.860 -1.103 1.00 0.00 O ATOM 463 CB SER A 52 6.164 -14.939 -2.403 1.00 0.00 C ATOM 464 OG SER A 52 7.119 -15.992 -2.370 1.00 0.00 O ATOM 0 H SER A 52 3.693 -16.077 -1.246 1.00 0.00 H new ATOM 0 HA SER A 52 6.105 -14.731 -0.273 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.470 -15.097 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.668 -13.991 -2.588 1.00 0.00 H new ATOM 0 HG SER A 52 7.601 -16.023 -3.222 1.00 0.00 H new ATOM 470 N PRO A 53 4.958 -12.428 -1.006 1.00 0.00 N ATOM 471 CA PRO A 53 4.133 -11.207 -0.995 1.00 0.00 C ATOM 472 C PRO A 53 3.165 -11.130 -2.176 1.00 0.00 C ATOM 473 O PRO A 53 2.138 -10.452 -2.105 1.00 0.00 O ATOM 474 CB PRO A 53 5.164 -10.079 -1.078 1.00 0.00 C ATOM 475 CG PRO A 53 6.408 -10.662 -0.511 1.00 0.00 C ATOM 476 CD PRO A 53 6.398 -12.111 -0.909 1.00 0.00 C ATOM 0 HA PRO A 53 3.497 -11.163 -0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.313 -9.754 -2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.842 -9.206 -0.511 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.291 -10.155 -0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.432 -10.554 0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.910 -12.271 -1.858 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.898 -12.735 -0.168 1.00 0.00 H new ATOM 484 N SER A 54 3.501 -11.823 -3.256 1.00 0.00 N ATOM 485 CA SER A 54 2.641 -11.885 -4.425 1.00 0.00 C ATOM 486 C SER A 54 1.311 -12.557 -4.085 1.00 0.00 C ATOM 487 O SER A 54 0.248 -11.969 -4.278 1.00 0.00 O ATOM 488 CB SER A 54 3.360 -12.635 -5.544 1.00 0.00 C ATOM 489 OG SER A 54 4.026 -13.778 -5.034 1.00 0.00 O ATOM 0 H SER A 54 4.369 -12.352 -3.344 1.00 0.00 H new ATOM 0 HA SER A 54 2.421 -10.872 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.642 -12.937 -6.306 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.080 -11.974 -6.028 1.00 0.00 H new ATOM 0 HG SER A 54 4.479 -14.246 -5.766 1.00 0.00 H new ATOM 495 N ASP A 55 1.388 -13.774 -3.542 1.00 0.00 N ATOM 496 CA ASP A 55 0.196 -14.527 -3.138 1.00 0.00 C ATOM 497 C ASP A 55 -0.644 -13.710 -2.167 1.00 0.00 C ATOM 498 O ASP A 55 -1.873 -13.671 -2.261 1.00 0.00 O ATOM 499 CB ASP A 55 0.586 -15.847 -2.465 1.00 0.00 C ATOM 500 CG ASP A 55 1.415 -16.754 -3.349 1.00 0.00 C ATOM 501 OD1 ASP A 55 0.838 -17.432 -4.226 1.00 0.00 O ATOM 502 OD2 ASP A 55 2.650 -16.801 -3.161 1.00 0.00 O ATOM 0 H ASP A 55 2.267 -14.262 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.382 -14.739 -4.038 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.145 -15.630 -1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.320 -16.374 -2.165 1.00 0.00 H new ATOM 507 N LEU A 56 0.044 -13.058 -1.238 1.00 0.00 N ATOM 508 CA LEU A 56 -0.588 -12.194 -0.249 1.00 0.00 C ATOM 509 C LEU A 56 -1.493 -11.160 -0.911 1.00 0.00 C ATOM 510 O LEU A 56 -2.690 -11.086 -0.628 1.00 0.00 O ATOM 511 CB LEU A 56 0.495 -11.485 0.570 1.00 0.00 C ATOM 512 CG LEU A 56 0.000 -10.377 1.504 1.00 0.00 C ATOM 513 CD1 LEU A 56 -0.919 -10.946 2.567 1.00 0.00 C ATOM 514 CD2 LEU A 56 1.177 -9.654 2.142 1.00 0.00 C ATOM 0 H LEU A 56 1.059 -13.114 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.205 -12.812 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.020 -12.231 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.224 -11.057 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.567 -9.657 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.260 -10.143 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.779 -11.416 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.379 -11.688 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.807 -8.870 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.771 -10.364 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.797 -9.210 1.363 1.00 0.00 H new ATOM 526 N ARG A 57 -0.917 -10.380 -1.810 1.00 0.00 N ATOM 527 CA ARG A 57 -1.630 -9.275 -2.429 1.00 0.00 C ATOM 528 C ARG A 57 -2.633 -9.776 -3.466 1.00 0.00 C ATOM 529 O ARG A 57 -3.604 -9.087 -3.780 1.00 0.00 O ATOM 530 CB ARG A 57 -0.631 -8.299 -3.049 1.00 0.00 C ATOM 531 CG ARG A 57 0.318 -7.702 -2.018 1.00 0.00 C ATOM 532 CD ARG A 57 1.448 -6.919 -2.665 1.00 0.00 C ATOM 533 NE ARG A 57 0.988 -5.688 -3.302 1.00 0.00 N ATOM 534 CZ ARG A 57 1.645 -5.080 -4.288 1.00 0.00 C ATOM 535 NH1 ARG A 57 2.760 -5.613 -4.766 1.00 0.00 N ATOM 536 NH2 ARG A 57 1.189 -3.941 -4.795 1.00 0.00 N ATOM 0 H ARG A 57 0.046 -10.492 -2.128 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.198 -8.751 -1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.052 -8.815 -3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.174 -7.495 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.240 -7.046 -1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.736 -8.501 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.195 -6.675 -1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.940 -7.546 -3.409 1.00 0.00 H new ATOM 0 HE ARG A 57 0.117 -5.271 -2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.114 -6.488 -4.379 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.264 -5.149 -5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.331 -3.527 -4.429 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.696 -3.480 -5.550 1.00 0.00 H new ATOM 550 N GLU A 58 -2.404 -10.979 -3.985 1.00 0.00 N ATOM 551 CA GLU A 58 -3.342 -11.593 -4.914 1.00 0.00 C ATOM 552 C GLU A 58 -4.628 -11.983 -4.204 1.00 0.00 C ATOM 553 O GLU A 58 -5.716 -11.698 -4.688 1.00 0.00 O ATOM 554 CB GLU A 58 -2.729 -12.816 -5.597 1.00 0.00 C ATOM 555 CG GLU A 58 -1.737 -12.465 -6.691 1.00 0.00 C ATOM 556 CD GLU A 58 -1.253 -13.682 -7.449 1.00 0.00 C ATOM 557 OE1 GLU A 58 -2.089 -14.549 -7.786 1.00 0.00 O ATOM 558 OE2 GLU A 58 -0.042 -13.763 -7.746 1.00 0.00 O ATOM 0 H GLU A 58 -1.580 -11.544 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.574 -10.854 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.229 -13.429 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.528 -13.423 -6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.202 -11.768 -7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.882 -11.952 -6.250 1.00 0.00 H new ATOM 565 N LYS A 59 -4.506 -12.619 -3.045 1.00 0.00 N ATOM 566 CA LYS A 59 -5.679 -13.032 -2.283 1.00 0.00 C ATOM 567 C LYS A 59 -6.487 -11.833 -1.809 1.00 0.00 C ATOM 568 O LYS A 59 -7.718 -11.868 -1.796 1.00 0.00 O ATOM 569 CB LYS A 59 -5.276 -13.905 -1.093 1.00 0.00 C ATOM 570 CG LYS A 59 -5.077 -15.360 -1.468 1.00 0.00 C ATOM 571 CD LYS A 59 -6.375 -15.967 -1.974 1.00 0.00 C ATOM 572 CE LYS A 59 -6.159 -17.352 -2.546 1.00 0.00 C ATOM 573 NZ LYS A 59 -7.416 -17.920 -3.102 1.00 0.00 N ATOM 0 H LYS A 59 -3.613 -12.859 -2.614 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.310 -13.620 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.354 -13.517 -0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.043 -13.836 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.308 -15.441 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.722 -15.919 -0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.095 -16.019 -1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.806 -15.320 -2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.402 -17.308 -3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.775 -18.011 -1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.198 -18.482 -3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.867 -18.529 -2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.064 -17.147 -3.356 1.00 0.00 H new ATOM 587 N LEU A 60 -5.794 -10.771 -1.432 1.00 0.00 N ATOM 588 CA LEU A 60 -6.455 -9.554 -0.986 1.00 0.00 C ATOM 589 C LEU A 60 -7.239 -8.912 -2.125 1.00 0.00 C ATOM 590 O LEU A 60 -8.368 -8.467 -1.936 1.00 0.00 O ATOM 591 CB LEU A 60 -5.429 -8.570 -0.425 1.00 0.00 C ATOM 592 CG LEU A 60 -4.693 -9.056 0.824 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.600 -8.077 1.211 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.668 -9.250 1.975 1.00 0.00 C ATOM 0 H LEU A 60 -4.775 -10.726 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.158 -9.817 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.695 -8.351 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.935 -7.633 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.230 -10.017 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.086 -8.439 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.886 -7.986 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.041 -7.102 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.127 -9.596 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.159 -8.303 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.418 -9.990 1.696 1.00 0.00 H new ATOM 606 N SER A 61 -6.650 -8.882 -3.312 1.00 0.00 N ATOM 607 CA SER A 61 -7.316 -8.296 -4.464 1.00 0.00 C ATOM 608 C SER A 61 -8.387 -9.242 -5.009 1.00 0.00 C ATOM 609 O SER A 61 -9.406 -8.798 -5.535 1.00 0.00 O ATOM 610 CB SER A 61 -6.294 -7.935 -5.545 1.00 0.00 C ATOM 611 OG SER A 61 -5.425 -9.018 -5.825 1.00 0.00 O ATOM 0 H SER A 61 -5.719 -9.254 -3.501 1.00 0.00 H new ATOM 0 HA SER A 61 -7.813 -7.378 -4.148 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.816 -7.642 -6.456 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.710 -7.074 -5.221 1.00 0.00 H new ATOM 0 HG SER A 61 -4.668 -8.999 -5.203 1.00 0.00 H new ATOM 617 N GLU A 62 -8.152 -10.543 -4.861 1.00 0.00 N ATOM 618 CA GLU A 62 -9.115 -11.562 -5.270 1.00 0.00 C ATOM 619 C GLU A 62 -10.412 -11.425 -4.481 1.00 0.00 C ATOM 620 O GLU A 62 -11.493 -11.295 -5.058 1.00 0.00 O ATOM 621 CB GLU A 62 -8.523 -12.959 -5.058 1.00 0.00 C ATOM 622 CG GLU A 62 -9.478 -14.094 -5.390 1.00 0.00 C ATOM 623 CD GLU A 62 -8.885 -15.459 -5.100 1.00 0.00 C ATOM 624 OE1 GLU A 62 -9.053 -15.962 -3.968 1.00 0.00 O ATOM 625 OE2 GLU A 62 -8.255 -16.044 -6.003 1.00 0.00 O ATOM 0 H GLU A 62 -7.294 -10.919 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.335 -11.421 -6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.628 -13.060 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.209 -13.055 -4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.396 -13.971 -4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.752 -14.037 -6.444 1.00 0.00 H new ATOM 632 N LEU A 63 -10.299 -11.437 -3.156 1.00 0.00 N ATOM 633 CA LEU A 63 -11.472 -11.335 -2.300 1.00 0.00 C ATOM 634 C LEU A 63 -12.131 -9.970 -2.451 1.00 0.00 C ATOM 635 O LEU A 63 -13.350 -9.844 -2.322 1.00 0.00 O ATOM 636 CB LEU A 63 -11.112 -11.591 -0.834 1.00 0.00 C ATOM 637 CG LEU A 63 -10.524 -12.974 -0.530 1.00 0.00 C ATOM 638 CD1 LEU A 63 -10.417 -13.182 0.972 1.00 0.00 C ATOM 639 CD2 LEU A 63 -11.364 -14.074 -1.162 1.00 0.00 C ATOM 0 H LEU A 63 -9.413 -11.516 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.180 -12.102 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.396 -10.833 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.009 -11.456 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.525 -13.023 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.998 -14.168 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.768 -12.418 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.408 -13.110 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.925 -15.045 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.378 -14.031 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.391 -13.936 -2.243 1.00 0.00 H new ATOM 651 N ALA A 64 -11.322 -8.956 -2.735 1.00 0.00 N ATOM 652 CA ALA A 64 -11.834 -7.616 -2.984 1.00 0.00 C ATOM 653 C ALA A 64 -12.664 -7.596 -4.261 1.00 0.00 C ATOM 654 O ALA A 64 -13.781 -7.073 -4.281 1.00 0.00 O ATOM 655 CB ALA A 64 -10.693 -6.613 -3.076 1.00 0.00 C ATOM 0 H ALA A 64 -10.307 -9.038 -2.798 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.473 -7.331 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.097 -5.618 -3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.136 -6.609 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.027 -6.893 -3.893 1.00 0.00 H new ATOM 661 N ASP A 65 -12.119 -8.186 -5.319 1.00 0.00 N ATOM 662 CA ASP A 65 -12.816 -8.276 -6.597 1.00 0.00 C ATOM 663 C ASP A 65 -14.125 -9.032 -6.441 1.00 0.00 C ATOM 664 O ASP A 65 -15.167 -8.592 -6.927 1.00 0.00 O ATOM 665 CB ASP A 65 -11.942 -8.971 -7.643 1.00 0.00 C ATOM 666 CG ASP A 65 -12.675 -9.205 -8.948 1.00 0.00 C ATOM 667 OD1 ASP A 65 -12.707 -8.283 -9.792 1.00 0.00 O ATOM 668 OD2 ASP A 65 -13.217 -10.316 -9.141 1.00 0.00 O ATOM 0 H ASP A 65 -11.192 -8.611 -5.316 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.030 -7.262 -6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.055 -8.365 -7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.597 -9.926 -7.247 1.00 0.00 H new ATOM 673 N ALA A 66 -14.063 -10.163 -5.746 1.00 0.00 N ATOM 674 CA ALA A 66 -15.242 -10.985 -5.497 1.00 0.00 C ATOM 675 C ALA A 66 -16.320 -10.196 -4.757 1.00 0.00 C ATOM 676 O ALA A 66 -17.508 -10.309 -5.067 1.00 0.00 O ATOM 677 CB ALA A 66 -14.859 -12.230 -4.712 1.00 0.00 C ATOM 0 H ALA A 66 -13.202 -10.533 -5.343 1.00 0.00 H new ATOM 0 HA ALA A 66 -15.653 -11.288 -6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.748 -12.835 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.134 -12.811 -5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.420 -11.938 -3.758 1.00 0.00 H new ATOM 683 N LYS A 67 -15.905 -9.390 -3.785 1.00 0.00 N ATOM 684 CA LYS A 67 -16.836 -8.544 -3.046 1.00 0.00 C ATOM 685 C LYS A 67 -17.376 -7.424 -3.928 1.00 0.00 C ATOM 686 O LYS A 67 -18.504 -6.972 -3.747 1.00 0.00 O ATOM 687 CB LYS A 67 -16.176 -7.960 -1.794 1.00 0.00 C ATOM 688 CG LYS A 67 -16.046 -8.958 -0.654 1.00 0.00 C ATOM 689 CD LYS A 67 -17.411 -9.458 -0.204 1.00 0.00 C ATOM 690 CE LYS A 67 -17.305 -10.434 0.954 1.00 0.00 C ATOM 691 NZ LYS A 67 -18.638 -10.937 1.375 1.00 0.00 N ATOM 0 H LYS A 67 -14.932 -9.305 -3.491 1.00 0.00 H new ATOM 0 HA LYS A 67 -17.671 -9.171 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -15.185 -7.588 -2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.758 -7.104 -1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.434 -9.801 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.532 -8.490 0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -18.028 -8.610 0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.914 -9.942 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.674 -11.274 0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.818 -9.945 1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.524 -11.601 2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.232 -10.138 1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.093 -11.425 0.577 1.00 0.00 H new ATOM 705 N GLY A 68 -16.574 -6.985 -4.881 1.00 0.00 N ATOM 706 CA GLY A 68 -17.024 -5.970 -5.810 1.00 0.00 C ATOM 707 C GLY A 68 -16.235 -4.685 -5.702 1.00 0.00 C ATOM 708 O GLY A 68 -16.779 -3.600 -5.903 1.00 0.00 O ATOM 0 H GLY A 68 -15.619 -7.312 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.946 -6.355 -6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -18.078 -5.760 -5.629 1.00 0.00 H new ATOM 712 N GLY A 69 -14.957 -4.806 -5.378 1.00 0.00 N ATOM 713 CA GLY A 69 -14.093 -3.648 -5.308 1.00 0.00 C ATOM 714 C GLY A 69 -12.840 -3.840 -6.133 1.00 0.00 C ATOM 715 O GLY A 69 -12.497 -4.966 -6.488 1.00 0.00 O ATOM 0 H GLY A 69 -14.501 -5.692 -5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.632 -2.769 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.821 -3.458 -4.270 1.00 0.00 H new ATOM 719 N LYS A 70 -12.160 -2.749 -6.446 1.00 0.00 N ATOM 720 CA LYS A 70 -10.946 -2.817 -7.252 1.00 0.00 C ATOM 721 C LYS A 70 -9.766 -2.248 -6.476 1.00 0.00 C ATOM 722 O LYS A 70 -8.664 -2.100 -7.007 1.00 0.00 O ATOM 723 CB LYS A 70 -11.133 -2.060 -8.571 1.00 0.00 C ATOM 724 CG LYS A 70 -12.281 -2.586 -9.424 1.00 0.00 C ATOM 725 CD LYS A 70 -12.070 -4.039 -9.831 1.00 0.00 C ATOM 726 CE LYS A 70 -13.245 -4.560 -10.646 1.00 0.00 C ATOM 727 NZ LYS A 70 -13.049 -5.966 -11.090 1.00 0.00 N ATOM 0 H LYS A 70 -12.425 -1.807 -6.157 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.741 -3.863 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.308 -1.006 -8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.209 -2.117 -9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.215 -2.497 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.381 -1.970 -10.318 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.153 -4.126 -10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.941 -4.654 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.155 -4.494 -10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.389 -3.923 -11.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.932 -6.325 -11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.291 -6.003 -11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.787 -6.555 -10.273 1.00 0.00 H new ATOM 741 N TYR A 71 -10.012 -1.933 -5.214 1.00 0.00 N ATOM 742 CA TYR A 71 -8.988 -1.408 -4.325 1.00 0.00 C ATOM 743 C TYR A 71 -9.099 -2.084 -2.967 1.00 0.00 C ATOM 744 O TYR A 71 -10.191 -2.476 -2.555 1.00 0.00 O ATOM 745 CB TYR A 71 -9.138 0.110 -4.171 1.00 0.00 C ATOM 746 CG TYR A 71 -8.845 0.884 -5.436 1.00 0.00 C ATOM 747 CD1 TYR A 71 -7.541 1.206 -5.777 1.00 0.00 C ATOM 748 CD2 TYR A 71 -9.865 1.287 -6.293 1.00 0.00 C ATOM 749 CE1 TYR A 71 -7.256 1.909 -6.929 1.00 0.00 C ATOM 750 CE2 TYR A 71 -9.586 1.988 -7.453 1.00 0.00 C ATOM 751 CZ TYR A 71 -8.276 2.296 -7.766 1.00 0.00 C ATOM 752 OH TYR A 71 -7.981 2.986 -8.919 1.00 0.00 O ATOM 0 H TYR A 71 -10.928 -2.034 -4.777 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.007 -1.615 -4.753 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.154 0.334 -3.846 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -8.468 0.454 -3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.733 0.901 -5.129 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.890 1.049 -6.049 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.233 2.155 -7.173 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.387 2.293 -8.110 1.00 0.00 H new ATOM 0 HH TYR A 71 -7.158 2.629 -9.312 1.00 0.00 H new ATOM 762 N TYR A 72 -7.982 -2.241 -2.278 1.00 0.00 N ATOM 763 CA TYR A 72 -8.000 -2.857 -0.961 1.00 0.00 C ATOM 764 C TYR A 72 -7.069 -2.134 0.004 1.00 0.00 C ATOM 765 O TYR A 72 -5.994 -1.662 -0.374 1.00 0.00 O ATOM 766 CB TYR A 72 -7.655 -4.352 -1.041 1.00 0.00 C ATOM 767 CG TYR A 72 -6.312 -4.666 -1.664 1.00 0.00 C ATOM 768 CD1 TYR A 72 -6.168 -4.766 -3.043 1.00 0.00 C ATOM 769 CD2 TYR A 72 -5.190 -4.878 -0.872 1.00 0.00 C ATOM 770 CE1 TYR A 72 -4.947 -5.063 -3.613 1.00 0.00 C ATOM 771 CE2 TYR A 72 -3.966 -5.178 -1.435 1.00 0.00 C ATOM 772 CZ TYR A 72 -3.849 -5.269 -2.806 1.00 0.00 C ATOM 773 OH TYR A 72 -2.630 -5.568 -3.369 1.00 0.00 O ATOM 0 H TYR A 72 -7.059 -1.954 -2.604 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.015 -2.767 -0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.678 -4.769 -0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.432 -4.859 -1.614 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.026 -4.609 -3.679 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.277 -4.807 0.202 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.852 -5.134 -4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.104 -5.341 -0.805 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.962 -5.682 -2.661 1.00 0.00 H new ATOM 783 N HIS A 73 -7.512 -2.035 1.248 1.00 0.00 N ATOM 784 CA HIS A 73 -6.756 -1.368 2.300 1.00 0.00 C ATOM 785 C HIS A 73 -6.359 -2.367 3.377 1.00 0.00 C ATOM 786 O HIS A 73 -7.195 -2.794 4.172 1.00 0.00 O ATOM 787 CB HIS A 73 -7.596 -0.236 2.907 1.00 0.00 C ATOM 788 CG HIS A 73 -6.978 0.435 4.104 1.00 0.00 C ATOM 789 ND1 HIS A 73 -7.647 0.605 5.298 1.00 0.00 N ATOM 790 CD2 HIS A 73 -5.757 0.999 4.281 1.00 0.00 C ATOM 791 CE1 HIS A 73 -6.870 1.242 6.150 1.00 0.00 C ATOM 792 NE2 HIS A 73 -5.718 1.492 5.563 1.00 0.00 N ATOM 0 H HIS A 73 -8.406 -2.415 1.558 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.849 -0.944 1.870 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.776 0.516 2.139 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.568 -0.637 3.194 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -8.597 0.287 5.491 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.963 1.051 3.550 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.134 1.514 7.161 1.00 0.00 H new ATOM 801 N ILE A 74 -5.091 -2.748 3.387 1.00 0.00 N ATOM 802 CA ILE A 74 -4.578 -3.666 4.397 1.00 0.00 C ATOM 803 C ILE A 74 -4.565 -2.984 5.759 1.00 0.00 C ATOM 804 O ILE A 74 -4.063 -1.867 5.893 1.00 0.00 O ATOM 805 CB ILE A 74 -3.147 -4.139 4.058 1.00 0.00 C ATOM 806 CG1 ILE A 74 -3.098 -4.716 2.640 1.00 0.00 C ATOM 807 CG2 ILE A 74 -2.675 -5.174 5.073 1.00 0.00 C ATOM 808 CD1 ILE A 74 -1.703 -5.103 2.190 1.00 0.00 C ATOM 0 H ILE A 74 -4.397 -2.437 2.708 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.235 -4.535 4.417 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.477 -3.280 4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.743 -5.593 2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.505 -3.982 1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.665 -5.497 4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.676 -4.733 6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.346 -6.033 5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.745 -5.504 1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.059 -4.224 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.300 -5.860 2.863 1.00 0.00 H new ATOM 820 N ILE A 75 -5.143 -3.634 6.758 1.00 0.00 N ATOM 821 CA ILE A 75 -5.144 -3.084 8.105 1.00 0.00 C ATOM 822 C ILE A 75 -4.309 -3.945 9.048 1.00 0.00 C ATOM 823 O ILE A 75 -3.720 -3.438 10.004 1.00 0.00 O ATOM 824 CB ILE A 75 -6.573 -2.923 8.676 1.00 0.00 C ATOM 825 CG1 ILE A 75 -7.317 -4.262 8.687 1.00 0.00 C ATOM 826 CG2 ILE A 75 -7.349 -1.887 7.876 1.00 0.00 C ATOM 827 CD1 ILE A 75 -8.694 -4.185 9.313 1.00 0.00 C ATOM 0 H ILE A 75 -5.613 -4.534 6.663 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.699 -2.091 8.032 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.489 -2.578 9.707 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.412 -4.624 7.663 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.721 -4.995 9.230 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.352 -1.785 8.290 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.835 -0.927 7.929 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.416 -2.206 6.836 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.162 -5.169 9.286 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.605 -3.854 10.348 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.308 -3.477 8.756 1.00 0.00 H new ATOM 839 N ALA A 76 -4.243 -5.244 8.768 1.00 0.00 N ATOM 840 CA ALA A 76 -3.505 -6.163 9.621 1.00 0.00 C ATOM 841 C ALA A 76 -3.163 -7.455 8.893 1.00 0.00 C ATOM 842 O ALA A 76 -4.047 -8.220 8.514 1.00 0.00 O ATOM 843 CB ALA A 76 -4.300 -6.467 10.882 1.00 0.00 C ATOM 0 H ALA A 76 -4.690 -5.679 7.961 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.568 -5.678 9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.736 -7.156 11.511 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.482 -5.542 11.429 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.253 -6.921 10.611 1.00 0.00 H new ATOM 849 N ALA A 77 -1.877 -7.687 8.697 1.00 0.00 N ATOM 850 CA ALA A 77 -1.393 -8.938 8.142 1.00 0.00 C ATOM 851 C ALA A 77 -0.660 -9.708 9.231 1.00 0.00 C ATOM 852 O ALA A 77 0.568 -9.676 9.325 1.00 0.00 O ATOM 853 CB ALA A 77 -0.488 -8.685 6.944 1.00 0.00 C ATOM 0 H ALA A 77 -1.141 -7.016 8.917 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.237 -9.531 7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.138 -9.637 6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.045 -8.152 6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.367 -8.085 7.254 1.00 0.00 H new ATOM 859 N ARG A 78 -1.428 -10.380 10.072 1.00 0.00 N ATOM 860 CA ARG A 78 -0.889 -10.986 11.278 1.00 0.00 C ATOM 861 C ARG A 78 -0.575 -12.463 11.082 1.00 0.00 C ATOM 862 O ARG A 78 -1.271 -13.182 10.359 1.00 0.00 O ATOM 863 CB ARG A 78 -1.857 -10.797 12.450 1.00 0.00 C ATOM 864 CG ARG A 78 -3.279 -11.249 12.161 1.00 0.00 C ATOM 865 CD ARG A 78 -4.193 -11.008 13.353 1.00 0.00 C ATOM 866 NE ARG A 78 -4.152 -9.614 13.801 1.00 0.00 N ATOM 867 CZ ARG A 78 -5.155 -8.746 13.661 1.00 0.00 C ATOM 868 NH1 ARG A 78 -6.291 -9.114 13.079 1.00 0.00 N ATOM 869 NH2 ARG A 78 -5.013 -7.507 14.113 1.00 0.00 N ATOM 0 H ARG A 78 -2.430 -10.520 9.941 1.00 0.00 H new ATOM 0 HA ARG A 78 0.049 -10.480 11.506 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.480 -11.349 13.311 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.872 -9.743 12.728 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.663 -10.714 11.293 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.281 -12.309 11.908 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.216 -11.273 13.085 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.899 -11.662 14.174 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.298 -9.285 14.251 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.402 -10.068 12.735 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.052 -8.443 12.977 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.142 -7.225 14.563 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.775 -6.836 14.010 1.00 0.00 H new ATOM 883 N GLU A 79 0.485 -12.897 11.739 1.00 0.00 N ATOM 884 CA GLU A 79 0.916 -14.281 11.695 1.00 0.00 C ATOM 885 C GLU A 79 0.173 -15.079 12.759 1.00 0.00 C ATOM 886 O GLU A 79 0.067 -14.643 13.905 1.00 0.00 O ATOM 887 CB GLU A 79 2.425 -14.350 11.932 1.00 0.00 C ATOM 888 CG GLU A 79 3.016 -15.742 11.806 1.00 0.00 C ATOM 889 CD GLU A 79 4.475 -15.772 12.202 1.00 0.00 C ATOM 890 OE1 GLU A 79 5.332 -15.428 11.363 1.00 0.00 O ATOM 891 OE2 GLU A 79 4.769 -16.118 13.365 1.00 0.00 O ATOM 0 H GLU A 79 1.072 -12.298 12.319 1.00 0.00 H new ATOM 0 HA GLU A 79 0.692 -14.707 10.717 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.923 -13.691 11.220 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.642 -13.965 12.928 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.455 -16.433 12.435 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.911 -16.089 10.778 1.00 0.00 H new ATOM 898 N HIS A 80 -0.347 -16.233 12.382 1.00 0.00 N ATOM 899 CA HIS A 80 -1.117 -17.058 13.300 1.00 0.00 C ATOM 900 C HIS A 80 -0.514 -18.459 13.352 1.00 0.00 C ATOM 901 O HIS A 80 -1.166 -19.448 13.012 1.00 0.00 O ATOM 902 CB HIS A 80 -2.584 -17.112 12.844 1.00 0.00 C ATOM 903 CG HIS A 80 -3.552 -17.552 13.904 1.00 0.00 C ATOM 904 ND1 HIS A 80 -4.703 -16.855 14.201 1.00 0.00 N ATOM 905 CD2 HIS A 80 -3.555 -18.634 14.719 1.00 0.00 C ATOM 906 CE1 HIS A 80 -5.368 -17.486 15.149 1.00 0.00 C ATOM 907 NE2 HIS A 80 -4.694 -18.570 15.480 1.00 0.00 N ATOM 0 H HIS A 80 -0.251 -16.622 11.444 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.084 -16.626 14.300 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.877 -16.124 12.490 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.662 -17.791 11.995 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -4.996 -15.985 13.756 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.800 -19.405 14.762 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.306 -17.169 15.581 1.00 0.00 H new ATOM 916 N GLY A 81 0.750 -18.529 13.750 1.00 0.00 N ATOM 917 CA GLY A 81 1.450 -19.794 13.764 1.00 0.00 C ATOM 918 C GLY A 81 1.812 -20.227 12.360 1.00 0.00 C ATOM 919 O GLY A 81 2.486 -19.491 11.638 1.00 0.00 O ATOM 0 H GLY A 81 1.301 -17.730 14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.354 -19.707 14.366 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.826 -20.554 14.234 1.00 0.00 H new ATOM 923 N PRO A 82 1.369 -21.419 11.939 1.00 0.00 N ATOM 924 CA PRO A 82 1.533 -21.872 10.560 1.00 0.00 C ATOM 925 C PRO A 82 0.538 -21.183 9.634 1.00 0.00 C ATOM 926 O PRO A 82 0.748 -21.095 8.425 1.00 0.00 O ATOM 927 CB PRO A 82 1.252 -23.370 10.645 1.00 0.00 C ATOM 928 CG PRO A 82 0.336 -23.523 11.810 1.00 0.00 C ATOM 929 CD PRO A 82 0.687 -22.423 12.776 1.00 0.00 C ATOM 0 HA PRO A 82 2.518 -21.645 10.153 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.790 -23.738 9.729 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.172 -23.937 10.789 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.705 -23.447 11.497 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.459 -24.501 12.275 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.203 -22.009 13.251 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.335 -22.784 13.574 1.00 0.00 H new ATOM 937 N ASN A 83 -0.539 -20.673 10.220 1.00 0.00 N ATOM 938 CA ASN A 83 -1.558 -19.961 9.468 1.00 0.00 C ATOM 939 C ASN A 83 -1.202 -18.489 9.361 1.00 0.00 C ATOM 940 O ASN A 83 -0.392 -17.973 10.134 1.00 0.00 O ATOM 941 CB ASN A 83 -2.938 -20.110 10.122 1.00 0.00 C ATOM 942 CG ASN A 83 -3.580 -21.462 9.866 1.00 0.00 C ATOM 943 OD1 ASN A 83 -2.899 -22.476 9.717 1.00 0.00 O ATOM 944 ND2 ASN A 83 -4.905 -21.483 9.809 1.00 0.00 N ATOM 0 H ASN A 83 -0.727 -20.742 11.220 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.600 -20.398 8.470 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.841 -19.959 11.197 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.596 -19.326 9.748 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.394 -22.361 9.637 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.435 -20.621 9.938 1.00 0.00 H new ATOM 951 N PHE A 84 -1.804 -17.817 8.403 1.00 0.00 N ATOM 952 CA PHE A 84 -1.560 -16.406 8.190 1.00 0.00 C ATOM 953 C PHE A 84 -2.881 -15.688 7.958 1.00 0.00 C ATOM 954 O PHE A 84 -3.711 -16.154 7.174 1.00 0.00 O ATOM 955 CB PHE A 84 -0.622 -16.220 6.995 1.00 0.00 C ATOM 956 CG PHE A 84 -0.241 -14.793 6.738 1.00 0.00 C ATOM 957 CD1 PHE A 84 0.762 -14.185 7.475 1.00 0.00 C ATOM 958 CD2 PHE A 84 -0.886 -14.062 5.758 1.00 0.00 C ATOM 959 CE1 PHE A 84 1.113 -12.870 7.237 1.00 0.00 C ATOM 960 CE2 PHE A 84 -0.541 -12.751 5.516 1.00 0.00 C ATOM 961 CZ PHE A 84 0.460 -12.153 6.255 1.00 0.00 C ATOM 0 H PHE A 84 -2.473 -18.230 7.753 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.084 -15.978 9.072 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.284 -16.803 7.162 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.101 -16.624 6.103 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.275 -14.744 8.243 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.669 -14.524 5.176 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.896 -12.405 7.818 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.054 -12.191 4.748 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.732 -11.125 6.065 1.00 0.00 H new ATOM 971 N GLU A 85 -3.084 -14.573 8.650 1.00 0.00 N ATOM 972 CA GLU A 85 -4.329 -13.827 8.544 1.00 0.00 C ATOM 973 C GLU A 85 -4.087 -12.441 7.964 1.00 0.00 C ATOM 974 O GLU A 85 -3.503 -11.575 8.615 1.00 0.00 O ATOM 975 CB GLU A 85 -5.003 -13.696 9.910 1.00 0.00 C ATOM 976 CG GLU A 85 -5.383 -15.022 10.540 1.00 0.00 C ATOM 977 CD GLU A 85 -6.186 -14.841 11.809 1.00 0.00 C ATOM 978 OE1 GLU A 85 -7.426 -14.764 11.719 1.00 0.00 O ATOM 979 OE2 GLU A 85 -5.581 -14.777 12.899 1.00 0.00 O ATOM 0 H GLU A 85 -2.402 -14.167 9.290 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.986 -14.381 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.333 -13.164 10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.900 -13.085 9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.961 -15.609 9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.479 -15.590 10.762 1.00 0.00 H new ATOM 986 N ALA A 86 -4.542 -12.240 6.742 1.00 0.00 N ATOM 987 CA ALA A 86 -4.430 -10.950 6.088 1.00 0.00 C ATOM 988 C ALA A 86 -5.785 -10.258 6.067 1.00 0.00 C ATOM 989 O ALA A 86 -6.693 -10.668 5.345 1.00 0.00 O ATOM 990 CB ALA A 86 -3.889 -11.115 4.678 1.00 0.00 C ATOM 0 H ALA A 86 -4.996 -12.959 6.179 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.731 -10.330 6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.811 -10.138 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.903 -11.579 4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.564 -11.747 4.101 1.00 0.00 H new ATOM 996 N VAL A 87 -5.923 -9.232 6.887 1.00 0.00 N ATOM 997 CA VAL A 87 -7.170 -8.497 6.991 1.00 0.00 C ATOM 998 C VAL A 87 -7.085 -7.199 6.198 1.00 0.00 C ATOM 999 O VAL A 87 -6.169 -6.392 6.400 1.00 0.00 O ATOM 1000 CB VAL A 87 -7.515 -8.166 8.458 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -8.965 -7.726 8.581 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -7.229 -9.354 9.366 1.00 0.00 C ATOM 0 H VAL A 87 -5.180 -8.887 7.495 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.956 -9.133 6.584 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.880 -7.340 8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.189 -7.497 9.623 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.129 -6.838 7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.619 -8.527 8.237 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.481 -9.095 10.394 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -7.830 -10.207 9.049 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.172 -9.612 9.305 1.00 0.00 H new ATOM 1012 N ALA A 88 -8.035 -7.001 5.300 1.00 0.00 N ATOM 1013 CA ALA A 88 -8.051 -5.815 4.463 1.00 0.00 C ATOM 1014 C ALA A 88 -9.476 -5.333 4.230 1.00 0.00 C ATOM 1015 O ALA A 88 -10.431 -6.095 4.365 1.00 0.00 O ATOM 1016 CB ALA A 88 -7.366 -6.097 3.134 1.00 0.00 C ATOM 0 H ALA A 88 -8.806 -7.648 5.132 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.505 -5.026 4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.386 -5.199 2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.332 -6.392 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.889 -6.903 2.619 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.612 -4.065 3.892 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.908 -3.496 3.566 1.00 0.00 C ATOM 1024 C GLU A 89 -11.053 -3.373 2.058 1.00 0.00 C ATOM 1025 O GLU A 89 -10.107 -2.993 1.368 1.00 0.00 O ATOM 1026 CB GLU A 89 -11.067 -2.121 4.210 1.00 0.00 C ATOM 1027 CG GLU A 89 -10.905 -2.124 5.718 1.00 0.00 C ATOM 1028 CD GLU A 89 -11.015 -0.736 6.305 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -10.040 0.033 6.200 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -12.083 -0.402 6.864 1.00 0.00 O ATOM 0 H GLU A 89 -8.836 -3.405 3.836 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.684 -4.157 3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.333 -1.441 3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.052 -1.726 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.665 -2.766 6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.936 -2.551 5.977 1.00 0.00 H new ATOM 1037 N VAL A 90 -12.228 -3.698 1.554 1.00 0.00 N ATOM 1038 CA VAL A 90 -12.497 -3.629 0.129 1.00 0.00 C ATOM 1039 C VAL A 90 -13.041 -2.258 -0.240 1.00 0.00 C ATOM 1040 O VAL A 90 -14.040 -1.809 0.323 1.00 0.00 O ATOM 1041 CB VAL A 90 -13.511 -4.708 -0.306 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -13.747 -4.658 -1.807 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -13.035 -6.085 0.117 1.00 0.00 C ATOM 0 H VAL A 90 -13.018 -4.015 2.115 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.555 -3.805 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.460 -4.504 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -14.465 -5.428 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -14.139 -3.679 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.806 -4.831 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.762 -6.834 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.072 -6.296 -0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.929 -6.116 1.201 1.00 0.00 H new ATOM 1053 N TYR A 91 -12.383 -1.600 -1.177 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.807 -0.289 -1.633 1.00 0.00 C ATOM 1055 C TYR A 91 -13.018 -0.287 -3.140 1.00 0.00 C ATOM 1056 O TYR A 91 -12.353 -1.015 -3.878 1.00 0.00 O ATOM 1057 CB TYR A 91 -11.776 0.780 -1.255 1.00 0.00 C ATOM 1058 CG TYR A 91 -11.809 1.177 0.204 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -12.621 2.217 0.635 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -11.029 0.520 1.146 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -12.656 2.592 1.963 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -11.059 0.888 2.478 1.00 0.00 C ATOM 1063 CZ TYR A 91 -11.875 1.925 2.881 1.00 0.00 C ATOM 1064 OH TYR A 91 -11.911 2.296 4.205 1.00 0.00 O ATOM 0 H TYR A 91 -11.547 -1.956 -1.640 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.752 -0.055 -1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -10.780 0.411 -1.498 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -11.946 1.666 -1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -13.236 2.742 -0.081 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.389 -0.291 0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.293 3.404 2.281 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -10.447 0.367 3.199 1.00 0.00 H new ATOM 0 HH TYR A 91 -11.303 1.726 4.721 1.00 0.00 H new ATOM 1074 N ASN A 92 -13.964 0.513 -3.586 1.00 0.00 N ATOM 1075 CA ASN A 92 -14.177 0.720 -5.005 1.00 0.00 C ATOM 1076 C ASN A 92 -13.902 2.183 -5.332 1.00 0.00 C ATOM 1077 O ASN A 92 -13.745 2.999 -4.422 1.00 0.00 O ATOM 1078 CB ASN A 92 -15.608 0.330 -5.394 1.00 0.00 C ATOM 1079 CG ASN A 92 -15.731 -0.099 -6.849 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -15.007 0.380 -7.722 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -16.638 -1.022 -7.112 1.00 0.00 N ATOM 0 H ASN A 92 -14.601 1.034 -2.983 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.497 0.089 -5.578 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.945 -0.483 -4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.272 1.176 -5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.757 -1.362 -8.066 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -17.219 -1.395 -6.361 1.00 0.00 H new ATOM 1088 N ASP A 93 -13.843 2.501 -6.618 1.00 0.00 N ATOM 1089 CA ASP A 93 -13.527 3.852 -7.082 1.00 0.00 C ATOM 1090 C ASP A 93 -14.475 4.884 -6.474 1.00 0.00 C ATOM 1091 O ASP A 93 -14.065 5.707 -5.656 1.00 0.00 O ATOM 1092 CB ASP A 93 -13.595 3.897 -8.612 1.00 0.00 C ATOM 1093 CG ASP A 93 -13.477 5.300 -9.176 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -12.389 5.903 -9.074 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -14.467 5.791 -9.759 1.00 0.00 O ATOM 0 H ASP A 93 -14.012 1.834 -7.371 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.517 4.102 -6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.796 3.279 -9.023 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -14.538 3.459 -8.940 1.00 0.00 H new ATOM 1100 N ALA A 94 -15.742 4.814 -6.857 1.00 0.00 N ATOM 1101 CA ALA A 94 -16.753 5.736 -6.352 1.00 0.00 C ATOM 1102 C ALA A 94 -18.127 5.322 -6.843 1.00 0.00 C ATOM 1103 O ALA A 94 -19.099 5.303 -6.086 1.00 0.00 O ATOM 1104 CB ALA A 94 -16.453 7.164 -6.786 1.00 0.00 C ATOM 0 H ALA A 94 -16.097 4.125 -7.520 1.00 0.00 H new ATOM 0 HA ALA A 94 -16.735 5.698 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -17.222 7.832 -6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -15.480 7.465 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.442 7.219 -7.875 1.00 0.00 H new ATOM 1290 N ALA B 22 7.045 0.390 -8.018 1.00 0.00 N ATOM 1291 CA ALA B 22 7.488 -0.204 -6.738 1.00 0.00 C ATOM 1292 C ALA B 22 6.280 -0.608 -5.908 1.00 0.00 C ATOM 1293 O ALA B 22 5.168 -0.137 -6.153 1.00 0.00 O ATOM 1294 CB ALA B 22 8.365 0.772 -5.968 1.00 0.00 C ATOM 0 HA ALA B 22 8.080 -1.094 -6.952 1.00 0.00 H new ATOM 0 HB1 ALA B 22 8.680 0.316 -5.030 1.00 0.00 H new ATOM 0 HB2 ALA B 22 9.243 1.020 -6.564 1.00 0.00 H new ATOM 0 HB3 ALA B 22 7.801 1.681 -5.758 1.00 0.00 H new ATOM 1302 N GLU B 23 6.497 -1.472 -4.927 1.00 0.00 N ATOM 1303 CA GLU B 23 5.401 -2.012 -4.138 1.00 0.00 C ATOM 1304 C GLU B 23 5.323 -1.307 -2.791 1.00 0.00 C ATOM 1305 O GLU B 23 6.343 -0.883 -2.250 1.00 0.00 O ATOM 1306 CB GLU B 23 5.590 -3.516 -3.921 1.00 0.00 C ATOM 1307 CG GLU B 23 6.133 -4.258 -5.138 1.00 0.00 C ATOM 1308 CD GLU B 23 5.369 -3.957 -6.412 1.00 0.00 C ATOM 1309 OE1 GLU B 23 4.176 -4.320 -6.494 1.00 0.00 O ATOM 1310 OE2 GLU B 23 5.969 -3.382 -7.341 1.00 0.00 O ATOM 0 H GLU B 23 7.420 -1.813 -4.659 1.00 0.00 H new ATOM 0 HA GLU B 23 4.472 -1.846 -4.683 1.00 0.00 H new ATOM 0 HB2 GLU B 23 6.270 -3.669 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU B 23 4.633 -3.955 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.181 -3.993 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU B 23 6.099 -5.330 -4.946 1.00 0.00 H new ATOM 1317 N GLN B 24 4.122 -1.177 -2.248 1.00 0.00 N ATOM 1318 CA GLN B 24 3.962 -0.565 -0.940 1.00 0.00 C ATOM 1319 C GLN B 24 3.533 -1.603 0.085 1.00 0.00 C ATOM 1320 O GLN B 24 2.715 -2.475 -0.207 1.00 0.00 O ATOM 1321 CB GLN B 24 2.937 0.571 -0.965 1.00 0.00 C ATOM 1322 CG GLN B 24 3.027 1.456 0.271 1.00 0.00 C ATOM 1323 CD GLN B 24 1.827 2.356 0.478 1.00 0.00 C ATOM 1324 OE1 GLN B 24 1.510 2.715 1.611 1.00 0.00 O ATOM 1325 NE2 GLN B 24 1.153 2.725 -0.598 1.00 0.00 N ATOM 0 H GLN B 24 3.254 -1.483 -2.687 1.00 0.00 H new ATOM 0 HA GLN B 24 4.930 -0.149 -0.661 1.00 0.00 H new ATOM 0 HB2 GLN B 24 3.093 1.179 -1.857 1.00 0.00 H new ATOM 0 HB3 GLN B 24 1.934 0.151 -1.036 1.00 0.00 H new ATOM 0 HG2 GLN B 24 3.148 0.823 1.150 1.00 0.00 H new ATOM 0 HG3 GLN B 24 3.922 2.074 0.198 1.00 0.00 H new ATOM 0 HE21 GLN B 24 1.449 2.405 -1.520 1.00 0.00 H new ATOM 0 HE22 GLN B 24 0.337 3.330 -0.506 1.00 0.00 H new ATOM 1334 N VAL B 25 4.099 -1.503 1.277 1.00 0.00 N ATOM 1335 CA VAL B 25 3.737 -2.376 2.387 1.00 0.00 C ATOM 1336 C VAL B 25 3.642 -1.558 3.671 1.00 0.00 C ATOM 1337 O VAL B 25 4.071 -0.399 3.704 1.00 0.00 O ATOM 1338 CB VAL B 25 4.765 -3.518 2.580 1.00 0.00 C ATOM 1339 CG1 VAL B 25 4.689 -4.518 1.435 1.00 0.00 C ATOM 1340 CG2 VAL B 25 6.175 -2.959 2.703 1.00 0.00 C ATOM 0 H VAL B 25 4.820 -0.818 1.504 1.00 0.00 H new ATOM 0 HA VAL B 25 2.772 -2.827 2.154 1.00 0.00 H new ATOM 0 HB VAL B 25 4.518 -4.038 3.505 1.00 0.00 H new ATOM 0 HG11 VAL B 25 5.421 -5.310 1.594 1.00 0.00 H new ATOM 0 HG12 VAL B 25 3.689 -4.950 1.395 1.00 0.00 H new ATOM 0 HG13 VAL B 25 4.902 -4.011 0.494 1.00 0.00 H new ATOM 0 HG21 VAL B 25 6.881 -3.779 2.838 1.00 0.00 H new ATOM 0 HG22 VAL B 25 6.428 -2.408 1.797 1.00 0.00 H new ATOM 0 HG23 VAL B 25 6.227 -2.290 3.562 1.00 0.00 H new ATOM 1350 N SER B 26 3.074 -2.130 4.722 1.00 0.00 N ATOM 1351 CA SER B 26 3.025 -1.441 5.997 1.00 0.00 C ATOM 1352 C SER B 26 4.113 -1.989 6.912 1.00 0.00 C ATOM 1353 O SER B 26 4.800 -2.954 6.563 1.00 0.00 O ATOM 1354 CB SER B 26 1.638 -1.560 6.650 1.00 0.00 C ATOM 1355 OG SER B 26 1.482 -2.778 7.356 1.00 0.00 O ATOM 0 H SER B 26 2.647 -3.056 4.716 1.00 0.00 H new ATOM 0 HA SER B 26 3.204 -0.379 5.827 1.00 0.00 H new ATOM 0 HB2 SER B 26 1.487 -0.724 7.333 1.00 0.00 H new ATOM 0 HB3 SER B 26 0.869 -1.486 5.881 1.00 0.00 H new ATOM 0 HG SER B 26 1.573 -3.530 6.735 1.00 0.00 H new ATOM 1361 N LYS B 27 4.260 -1.384 8.086 1.00 0.00 N ATOM 1362 CA LYS B 27 5.327 -1.748 9.017 1.00 0.00 C ATOM 1363 C LYS B 27 5.228 -3.209 9.454 1.00 0.00 C ATOM 1364 O LYS B 27 6.186 -3.771 9.985 1.00 0.00 O ATOM 1365 CB LYS B 27 5.294 -0.831 10.241 1.00 0.00 C ATOM 1366 CG LYS B 27 3.944 -0.791 10.942 1.00 0.00 C ATOM 1367 CD LYS B 27 3.982 0.120 12.156 1.00 0.00 C ATOM 1368 CE LYS B 27 2.627 0.200 12.839 1.00 0.00 C ATOM 1369 NZ LYS B 27 2.681 1.052 14.055 1.00 0.00 N ATOM 0 H LYS B 27 3.652 -0.636 8.418 1.00 0.00 H new ATOM 0 HA LYS B 27 6.276 -1.623 8.495 1.00 0.00 H new ATOM 0 HB2 LYS B 27 6.052 -1.161 10.951 1.00 0.00 H new ATOM 0 HB3 LYS B 27 5.564 0.179 9.934 1.00 0.00 H new ATOM 0 HG2 LYS B 27 3.180 -0.443 10.247 1.00 0.00 H new ATOM 0 HG3 LYS B 27 3.661 -1.798 11.248 1.00 0.00 H new ATOM 0 HD2 LYS B 27 4.725 -0.247 12.864 1.00 0.00 H new ATOM 0 HD3 LYS B 27 4.296 1.119 11.852 1.00 0.00 H new ATOM 0 HE2 LYS B 27 1.891 0.603 12.143 1.00 0.00 H new ATOM 0 HE3 LYS B 27 2.295 -0.802 13.110 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 1.740 1.086 14.497 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 3.366 0.653 14.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 2.974 2.014 13.792 1.00 0.00 H new ATOM 1383 N GLN B 28 4.075 -3.818 9.214 1.00 0.00 N ATOM 1384 CA GLN B 28 3.858 -5.209 9.570 1.00 0.00 C ATOM 1385 C GLN B 28 4.652 -6.116 8.633 1.00 0.00 C ATOM 1386 O GLN B 28 5.362 -7.018 9.082 1.00 0.00 O ATOM 1387 CB GLN B 28 2.365 -5.541 9.511 1.00 0.00 C ATOM 1388 CG GLN B 28 1.507 -4.566 10.303 1.00 0.00 C ATOM 1389 CD GLN B 28 0.031 -4.908 10.266 1.00 0.00 C ATOM 1390 OE1 GLN B 28 -0.347 -6.073 10.192 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -0.813 -3.889 10.307 1.00 0.00 N ATOM 0 H GLN B 28 3.274 -3.367 8.772 1.00 0.00 H new ATOM 0 HA GLN B 28 4.206 -5.376 10.590 1.00 0.00 H new ATOM 0 HB2 GLN B 28 2.039 -5.541 8.471 1.00 0.00 H new ATOM 0 HB3 GLN B 28 2.207 -6.549 9.894 1.00 0.00 H new ATOM 0 HG2 GLN B 28 1.845 -4.553 11.339 1.00 0.00 H new ATOM 0 HG3 GLN B 28 1.651 -3.560 9.908 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -0.458 -2.935 10.369 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -1.818 -4.058 10.277 1.00 0.00 H new ATOM 1400 N GLU B 29 4.562 -5.852 7.333 1.00 0.00 N ATOM 1401 CA GLU B 29 5.295 -6.634 6.347 1.00 0.00 C ATOM 1402 C GLU B 29 6.768 -6.258 6.392 1.00 0.00 C ATOM 1403 O GLU B 29 7.646 -7.115 6.264 1.00 0.00 O ATOM 1404 CB GLU B 29 4.753 -6.409 4.927 1.00 0.00 C ATOM 1405 CG GLU B 29 3.242 -6.535 4.799 1.00 0.00 C ATOM 1406 CD GLU B 29 2.530 -5.217 5.022 1.00 0.00 C ATOM 1407 OE1 GLU B 29 2.436 -4.776 6.181 1.00 0.00 O ATOM 1408 OE2 GLU B 29 2.082 -4.601 4.038 1.00 0.00 O ATOM 0 H GLU B 29 3.990 -5.104 6.940 1.00 0.00 H new ATOM 0 HA GLU B 29 5.168 -7.688 6.593 1.00 0.00 H new ATOM 0 HB2 GLU B 29 5.051 -5.416 4.591 1.00 0.00 H new ATOM 0 HB3 GLU B 29 5.223 -7.127 4.255 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.995 -6.915 3.808 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.879 -7.267 5.520 1.00 0.00 H new ATOM 1415 N ILE B 30 7.022 -4.969 6.597 1.00 0.00 N ATOM 1416 CA ILE B 30 8.380 -4.442 6.669 1.00 0.00 C ATOM 1417 C ILE B 30 9.195 -5.155 7.745 1.00 0.00 C ATOM 1418 O ILE B 30 10.339 -5.538 7.512 1.00 0.00 O ATOM 1419 CB ILE B 30 8.371 -2.922 6.956 1.00 0.00 C ATOM 1420 CG1 ILE B 30 7.689 -2.173 5.811 1.00 0.00 C ATOM 1421 CG2 ILE B 30 9.788 -2.402 7.162 1.00 0.00 C ATOM 1422 CD1 ILE B 30 7.477 -0.701 6.084 1.00 0.00 C ATOM 0 H ILE B 30 6.295 -4.263 6.717 1.00 0.00 H new ATOM 0 HA ILE B 30 8.845 -4.620 5.699 1.00 0.00 H new ATOM 0 HB ILE B 30 7.809 -2.748 7.873 1.00 0.00 H new ATOM 0 HG12 ILE B 30 8.291 -2.282 4.909 1.00 0.00 H new ATOM 0 HG13 ILE B 30 6.724 -2.638 5.609 1.00 0.00 H new ATOM 0 HG21 ILE B 30 9.757 -1.331 7.362 1.00 0.00 H new ATOM 0 HG22 ILE B 30 10.245 -2.916 8.007 1.00 0.00 H new ATOM 0 HG23 ILE B 30 10.377 -2.586 6.264 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.989 -0.239 5.226 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.849 -0.581 6.967 1.00 0.00 H new ATOM 0 HD13 ILE B 30 8.440 -0.220 6.256 1.00 0.00 H new ATOM 1434 N SER B 31 8.602 -5.343 8.914 1.00 0.00 N ATOM 1435 CA SER B 31 9.300 -5.987 10.016 1.00 0.00 C ATOM 1436 C SER B 31 9.263 -7.509 9.866 1.00 0.00 C ATOM 1437 O SER B 31 10.170 -8.207 10.319 1.00 0.00 O ATOM 1438 CB SER B 31 8.687 -5.557 11.352 1.00 0.00 C ATOM 1439 OG SER B 31 9.482 -5.979 12.449 1.00 0.00 O ATOM 0 H SER B 31 7.645 -5.061 9.124 1.00 0.00 H new ATOM 0 HA SER B 31 10.344 -5.674 9.997 1.00 0.00 H new ATOM 0 HB2 SER B 31 8.582 -4.472 11.373 1.00 0.00 H new ATOM 0 HB3 SER B 31 7.685 -5.976 11.445 1.00 0.00 H new ATOM 0 HG SER B 31 9.065 -5.688 13.287 1.00 0.00 H new ATOM 1445 N HIS B 32 8.223 -8.017 9.208 1.00 0.00 N ATOM 1446 CA HIS B 32 8.068 -9.456 9.006 1.00 0.00 C ATOM 1447 C HIS B 32 9.138 -9.987 8.053 1.00 0.00 C ATOM 1448 O HIS B 32 9.749 -11.022 8.308 1.00 0.00 O ATOM 1449 CB HIS B 32 6.670 -9.771 8.458 1.00 0.00 C ATOM 1450 CG HIS B 32 6.331 -11.234 8.419 1.00 0.00 C ATOM 1451 ND1 HIS B 32 5.592 -11.858 9.399 1.00 0.00 N ATOM 1452 CD2 HIS B 32 6.610 -12.191 7.500 1.00 0.00 C ATOM 1453 CE1 HIS B 32 5.429 -13.129 9.084 1.00 0.00 C ATOM 1454 NE2 HIS B 32 6.036 -13.359 7.937 1.00 0.00 N ATOM 0 H HIS B 32 7.475 -7.453 8.805 1.00 0.00 H new ATOM 0 HA HIS B 32 8.188 -9.950 9.970 1.00 0.00 H new ATOM 0 HB2 HIS B 32 5.929 -9.256 9.069 1.00 0.00 H new ATOM 0 HB3 HIS B 32 6.589 -9.365 7.450 1.00 0.00 H new ATOM 0 HD2 HIS B 32 7.179 -12.059 6.592 1.00 0.00 H new ATOM 0 HE1 HIS B 32 4.888 -13.859 9.668 1.00 0.00 H new ATOM 0 HE2 HIS B 32 6.073 -14.257 7.454 1.00 0.00 H new ATOM 1463 N PHE B 33 9.358 -9.273 6.956 1.00 0.00 N ATOM 1464 CA PHE B 33 10.357 -9.677 5.970 1.00 0.00 C ATOM 1465 C PHE B 33 11.701 -9.019 6.260 1.00 0.00 C ATOM 1466 O PHE B 33 12.722 -9.396 5.686 1.00 0.00 O ATOM 1467 CB PHE B 33 9.892 -9.320 4.555 1.00 0.00 C ATOM 1468 CG PHE B 33 8.685 -10.092 4.102 1.00 0.00 C ATOM 1469 CD1 PHE B 33 8.826 -11.342 3.521 1.00 0.00 C ATOM 1470 CD2 PHE B 33 7.409 -9.570 4.255 1.00 0.00 C ATOM 1471 CE1 PHE B 33 7.720 -12.057 3.103 1.00 0.00 C ATOM 1472 CE2 PHE B 33 6.300 -10.280 3.839 1.00 0.00 C ATOM 1473 CZ PHE B 33 6.455 -11.524 3.262 1.00 0.00 C ATOM 0 H PHE B 33 8.860 -8.413 6.725 1.00 0.00 H new ATOM 0 HA PHE B 33 10.479 -10.758 6.037 1.00 0.00 H new ATOM 0 HB2 PHE B 33 9.667 -8.254 4.514 1.00 0.00 H new ATOM 0 HB3 PHE B 33 10.710 -9.500 3.857 1.00 0.00 H new ATOM 0 HD1 PHE B 33 9.813 -11.763 3.393 1.00 0.00 H new ATOM 0 HD2 PHE B 33 7.281 -8.597 4.705 1.00 0.00 H new ATOM 0 HE1 PHE B 33 7.844 -13.031 2.653 1.00 0.00 H new ATOM 0 HE2 PHE B 33 5.312 -9.862 3.965 1.00 0.00 H new ATOM 0 HZ PHE B 33 5.589 -12.080 2.935 1.00 0.00 H new ATOM 1483 N LYS B 34 11.674 -8.039 7.160 1.00 0.00 N ATOM 1484 CA LYS B 34 12.864 -7.294 7.569 1.00 0.00 C ATOM 1485 C LYS B 34 13.444 -6.504 6.399 1.00 0.00 C ATOM 1486 O LYS B 34 14.388 -6.936 5.737 1.00 0.00 O ATOM 1487 CB LYS B 34 13.924 -8.220 8.175 1.00 0.00 C ATOM 1488 CG LYS B 34 15.038 -7.476 8.900 1.00 0.00 C ATOM 1489 CD LYS B 34 14.501 -6.676 10.080 1.00 0.00 C ATOM 1490 CE LYS B 34 13.829 -7.575 11.103 1.00 0.00 C ATOM 1491 NZ LYS B 34 13.390 -6.818 12.303 1.00 0.00 N ATOM 0 H LYS B 34 10.820 -7.737 7.630 1.00 0.00 H new ATOM 0 HA LYS B 34 12.558 -6.587 8.341 1.00 0.00 H new ATOM 0 HB2 LYS B 34 13.441 -8.904 8.873 1.00 0.00 H new ATOM 0 HB3 LYS B 34 14.360 -8.828 7.382 1.00 0.00 H new ATOM 0 HG2 LYS B 34 15.784 -8.189 9.252 1.00 0.00 H new ATOM 0 HG3 LYS B 34 15.542 -6.805 8.204 1.00 0.00 H new ATOM 0 HD2 LYS B 34 15.318 -6.132 10.554 1.00 0.00 H new ATOM 0 HD3 LYS B 34 13.788 -5.933 9.723 1.00 0.00 H new ATOM 0 HE2 LYS B 34 12.968 -8.063 10.647 1.00 0.00 H new ATOM 0 HE3 LYS B 34 14.520 -8.363 11.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 12.936 -7.468 12.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 14.215 -6.373 12.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 12.711 -6.083 12.020 1.00 0.00 H new ATOM 1505 N LEU B 35 12.852 -5.351 6.140 1.00 0.00 N ATOM 1506 CA LEU B 35 13.290 -4.494 5.051 1.00 0.00 C ATOM 1507 C LEU B 35 14.229 -3.408 5.566 1.00 0.00 C ATOM 1508 O LEU B 35 14.178 -3.030 6.739 1.00 0.00 O ATOM 1509 CB LEU B 35 12.085 -3.862 4.351 1.00 0.00 C ATOM 1510 CG LEU B 35 11.086 -4.853 3.749 1.00 0.00 C ATOM 1511 CD1 LEU B 35 9.917 -4.114 3.118 1.00 0.00 C ATOM 1512 CD2 LEU B 35 11.766 -5.748 2.722 1.00 0.00 C ATOM 0 H LEU B 35 12.062 -4.985 6.672 1.00 0.00 H new ATOM 0 HA LEU B 35 13.832 -5.107 4.330 1.00 0.00 H new ATOM 0 HB2 LEU B 35 11.559 -3.231 5.067 1.00 0.00 H new ATOM 0 HB3 LEU B 35 12.448 -3.209 3.557 1.00 0.00 H new ATOM 0 HG LEU B 35 10.705 -5.483 4.553 1.00 0.00 H new ATOM 0 HD11 LEU B 35 9.217 -4.834 2.695 1.00 0.00 H new ATOM 0 HD12 LEU B 35 9.410 -3.518 3.877 1.00 0.00 H new ATOM 0 HD13 LEU B 35 10.284 -3.459 2.328 1.00 0.00 H new ATOM 0 HD21 LEU B 35 11.037 -6.444 2.307 1.00 0.00 H new ATOM 0 HD22 LEU B 35 12.179 -5.134 1.921 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.570 -6.307 3.202 1.00 0.00 H new ATOM 1524 N VAL B 36 15.082 -2.915 4.681 1.00 0.00 N ATOM 1525 CA VAL B 36 16.060 -1.894 5.031 1.00 0.00 C ATOM 1526 C VAL B 36 15.615 -0.528 4.521 1.00 0.00 C ATOM 1527 O VAL B 36 15.293 -0.379 3.344 1.00 0.00 O ATOM 1528 CB VAL B 36 17.445 -2.241 4.439 1.00 0.00 C ATOM 1529 CG1 VAL B 36 18.453 -1.131 4.696 1.00 0.00 C ATOM 1530 CG2 VAL B 36 17.948 -3.557 5.010 1.00 0.00 C ATOM 0 H VAL B 36 15.117 -3.209 3.705 1.00 0.00 H new ATOM 0 HA VAL B 36 16.136 -1.861 6.118 1.00 0.00 H new ATOM 0 HB VAL B 36 17.332 -2.344 3.360 1.00 0.00 H new ATOM 0 HG11 VAL B 36 19.416 -1.407 4.267 1.00 0.00 H new ATOM 0 HG12 VAL B 36 18.102 -0.207 4.236 1.00 0.00 H new ATOM 0 HG13 VAL B 36 18.564 -0.982 5.770 1.00 0.00 H new ATOM 0 HG21 VAL B 36 18.924 -3.789 4.584 1.00 0.00 H new ATOM 0 HG22 VAL B 36 18.035 -3.474 6.093 1.00 0.00 H new ATOM 0 HG23 VAL B 36 17.246 -4.353 4.762 1.00 0.00 H new ATOM 1540 N LYS B 37 15.596 0.463 5.401 1.00 0.00 N ATOM 1541 CA LYS B 37 15.170 1.802 5.019 1.00 0.00 C ATOM 1542 C LYS B 37 16.319 2.558 4.366 1.00 0.00 C ATOM 1543 O LYS B 37 17.340 2.835 5.000 1.00 0.00 O ATOM 1544 CB LYS B 37 14.643 2.577 6.232 1.00 0.00 C ATOM 1545 CG LYS B 37 14.180 3.988 5.894 1.00 0.00 C ATOM 1546 CD LYS B 37 13.525 4.668 7.085 1.00 0.00 C ATOM 1547 CE LYS B 37 13.140 6.104 6.762 1.00 0.00 C ATOM 1548 NZ LYS B 37 12.374 6.741 7.865 1.00 0.00 N ATOM 0 H LYS B 37 15.869 0.366 6.379 1.00 0.00 H new ATOM 0 HA LYS B 37 14.358 1.707 4.298 1.00 0.00 H new ATOM 0 HB2 LYS B 37 13.812 2.026 6.673 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.427 2.631 6.988 1.00 0.00 H new ATOM 0 HG2 LYS B 37 15.032 4.580 5.561 1.00 0.00 H new ATOM 0 HG3 LYS B 37 13.475 3.950 5.064 1.00 0.00 H new ATOM 0 HD2 LYS B 37 12.637 4.110 7.382 1.00 0.00 H new ATOM 0 HD3 LYS B 37 14.208 4.655 7.934 1.00 0.00 H new ATOM 0 HE2 LYS B 37 14.041 6.685 6.565 1.00 0.00 H new ATOM 0 HE3 LYS B 37 12.544 6.122 5.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 12.465 7.775 7.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 11.371 6.477 7.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 12.749 6.418 8.780 1.00 0.00 H new ATOM 1562 N VAL B 38 16.150 2.880 3.096 1.00 0.00 N ATOM 1563 CA VAL B 38 17.173 3.589 2.343 1.00 0.00 C ATOM 1564 C VAL B 38 17.100 5.085 2.634 1.00 0.00 C ATOM 1565 O VAL B 38 18.113 5.729 2.906 1.00 0.00 O ATOM 1566 CB VAL B 38 17.024 3.348 0.824 1.00 0.00 C ATOM 1567 CG1 VAL B 38 18.200 3.940 0.061 1.00 0.00 C ATOM 1568 CG2 VAL B 38 16.888 1.862 0.527 1.00 0.00 C ATOM 0 H VAL B 38 15.310 2.661 2.561 1.00 0.00 H new ATOM 0 HA VAL B 38 18.143 3.203 2.657 1.00 0.00 H new ATOM 0 HB VAL B 38 16.116 3.851 0.491 1.00 0.00 H new ATOM 0 HG11 VAL B 38 18.071 3.757 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL B 38 18.247 5.014 0.242 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.125 3.474 0.400 1.00 0.00 H new ATOM 0 HG21 VAL B 38 16.784 1.714 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.775 1.337 0.882 1.00 0.00 H new ATOM 0 HG23 VAL B 38 16.007 1.469 1.034 1.00 0.00 H new ATOM 1578 N GLY B 39 15.889 5.622 2.602 1.00 0.00 N ATOM 1579 CA GLY B 39 15.694 7.032 2.868 1.00 0.00 C ATOM 1580 C GLY B 39 14.236 7.422 2.793 1.00 0.00 C ATOM 1581 O GLY B 39 13.390 6.602 2.432 1.00 0.00 O ATOM 0 H GLY B 39 15.035 5.104 2.396 1.00 0.00 H new ATOM 0 HA2 GLY B 39 16.084 7.272 3.857 1.00 0.00 H new ATOM 0 HA3 GLY B 39 16.265 7.620 2.149 1.00 0.00 H new ATOM 1585 N THR B 40 13.938 8.661 3.143 1.00 0.00 N ATOM 1586 CA THR B 40 12.580 9.171 3.088 1.00 0.00 C ATOM 1587 C THR B 40 12.438 10.155 1.928 1.00 0.00 C ATOM 1588 O THR B 40 13.212 11.108 1.812 1.00 0.00 O ATOM 1589 CB THR B 40 12.203 9.864 4.415 1.00 0.00 C ATOM 1590 OG1 THR B 40 12.488 8.989 5.516 1.00 0.00 O ATOM 1591 CG2 THR B 40 10.729 10.242 4.437 1.00 0.00 C ATOM 0 H THR B 40 14.626 9.338 3.471 1.00 0.00 H new ATOM 0 HA THR B 40 11.903 8.331 2.932 1.00 0.00 H new ATOM 0 HB THR B 40 12.794 10.775 4.503 1.00 0.00 H new ATOM 0 HG1 THR B 40 12.249 9.433 6.357 1.00 0.00 H new ATOM 0 HG21 THR B 40 10.492 10.728 5.383 1.00 0.00 H new ATOM 0 HG22 THR B 40 10.516 10.925 3.615 1.00 0.00 H new ATOM 0 HG23 THR B 40 10.121 9.344 4.329 1.00 0.00 H new ATOM 1599 N ILE B 41 11.461 9.917 1.067 1.00 0.00 N ATOM 1600 CA ILE B 41 11.270 10.738 -0.123 1.00 0.00 C ATOM 1601 C ILE B 41 10.009 11.582 -0.010 1.00 0.00 C ATOM 1602 O ILE B 41 9.050 11.197 0.661 1.00 0.00 O ATOM 1603 CB ILE B 41 11.184 9.874 -1.399 1.00 0.00 C ATOM 1604 CG1 ILE B 41 10.086 8.814 -1.252 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.531 9.225 -1.691 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.886 7.960 -2.485 1.00 0.00 C ATOM 0 H ILE B 41 10.785 9.160 1.169 1.00 0.00 H new ATOM 0 HA ILE B 41 12.138 11.393 -0.196 1.00 0.00 H new ATOM 0 HB ILE B 41 10.926 10.516 -2.241 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.331 8.167 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE B 41 9.146 9.310 -1.010 1.00 0.00 H new ATOM 0 HG21 ILE B 41 12.455 8.619 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE B 41 13.284 9.999 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE B 41 12.819 8.592 -0.852 1.00 0.00 H new ATOM 0 HD11 ILE B 41 9.093 7.235 -2.301 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.609 8.595 -3.326 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.812 7.434 -2.717 1.00 0.00 H new ATOM 1618 N ASN B 42 10.021 12.739 -0.656 1.00 0.00 N ATOM 1619 CA ASN B 42 8.853 13.611 -0.689 1.00 0.00 C ATOM 1620 C ASN B 42 8.638 14.164 -2.090 1.00 0.00 C ATOM 1621 O ASN B 42 9.552 14.736 -2.691 1.00 0.00 O ATOM 1622 CB ASN B 42 9.009 14.764 0.309 1.00 0.00 C ATOM 1623 CG ASN B 42 7.833 15.728 0.282 1.00 0.00 C ATOM 1624 OD1 ASN B 42 6.704 15.348 -0.023 1.00 0.00 O ATOM 1625 ND2 ASN B 42 8.088 16.984 0.616 1.00 0.00 N ATOM 0 H ASN B 42 10.828 13.097 -1.166 1.00 0.00 H new ATOM 0 HA ASN B 42 7.982 13.019 -0.406 1.00 0.00 H new ATOM 0 HB2 ASN B 42 9.116 14.357 1.314 1.00 0.00 H new ATOM 0 HB3 ASN B 42 9.926 15.310 0.087 1.00 0.00 H new ATOM 0 HD21 ASN B 42 7.335 17.672 0.626 1.00 0.00 H new ATOM 0 HD22 ASN B 42 9.037 17.263 0.863 1.00 0.00 H new ATOM 1632 N VAL B 43 7.436 13.989 -2.609 1.00 0.00 N ATOM 1633 CA VAL B 43 7.079 14.515 -3.915 1.00 0.00 C ATOM 1634 C VAL B 43 6.267 15.790 -3.759 1.00 0.00 C ATOM 1635 O VAL B 43 5.085 15.741 -3.414 1.00 0.00 O ATOM 1636 CB VAL B 43 6.273 13.495 -4.747 1.00 0.00 C ATOM 1637 CG1 VAL B 43 5.974 14.042 -6.137 1.00 0.00 C ATOM 1638 CG2 VAL B 43 7.013 12.171 -4.842 1.00 0.00 C ATOM 0 H VAL B 43 6.684 13.482 -2.141 1.00 0.00 H new ATOM 0 HA VAL B 43 8.008 14.726 -4.445 1.00 0.00 H new ATOM 0 HB VAL B 43 5.325 13.321 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL B 43 5.405 13.305 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL B 43 5.392 14.960 -6.050 1.00 0.00 H new ATOM 0 HG13 VAL B 43 6.910 14.253 -6.654 1.00 0.00 H new ATOM 0 HG21 VAL B 43 6.426 11.468 -5.433 1.00 0.00 H new ATOM 0 HG22 VAL B 43 7.980 12.328 -5.320 1.00 0.00 H new ATOM 0 HG23 VAL B 43 7.164 11.766 -3.841 1.00 0.00 H new ATOM 1648 N SER B 44 6.909 16.923 -3.988 1.00 0.00 N ATOM 1649 CA SER B 44 6.257 18.215 -3.865 1.00 0.00 C ATOM 1650 C SER B 44 6.033 18.809 -5.250 1.00 0.00 C ATOM 1651 O SER B 44 6.987 19.085 -5.978 1.00 0.00 O ATOM 1652 CB SER B 44 7.106 19.158 -3.005 1.00 0.00 C ATOM 1653 OG SER B 44 6.429 20.377 -2.743 1.00 0.00 O ATOM 0 H SER B 44 7.890 16.973 -4.263 1.00 0.00 H new ATOM 0 HA SER B 44 5.291 18.085 -3.377 1.00 0.00 H new ATOM 0 HB2 SER B 44 7.353 18.669 -2.063 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.048 19.366 -3.513 1.00 0.00 H new ATOM 0 HG SER B 44 6.997 20.955 -2.191 1.00 0.00 H new ATOM 1659 N GLN B 45 4.774 18.979 -5.623 1.00 0.00 N ATOM 1660 CA GLN B 45 4.438 19.479 -6.949 1.00 0.00 C ATOM 1661 C GLN B 45 3.486 20.664 -6.865 1.00 0.00 C ATOM 1662 O GLN B 45 2.665 20.754 -5.948 1.00 0.00 O ATOM 1663 CB GLN B 45 3.823 18.365 -7.795 1.00 0.00 C ATOM 1664 CG GLN B 45 4.819 17.291 -8.202 1.00 0.00 C ATOM 1665 CD GLN B 45 5.890 17.817 -9.138 1.00 0.00 C ATOM 1666 OE1 GLN B 45 5.652 18.743 -9.915 1.00 0.00 O ATOM 1667 NE2 GLN B 45 7.077 17.235 -9.075 1.00 0.00 N ATOM 0 H GLN B 45 3.969 18.779 -5.029 1.00 0.00 H new ATOM 0 HA GLN B 45 5.358 19.818 -7.425 1.00 0.00 H new ATOM 0 HB2 GLN B 45 3.010 17.902 -7.236 1.00 0.00 H new ATOM 0 HB3 GLN B 45 3.385 18.801 -8.692 1.00 0.00 H new ATOM 0 HG2 GLN B 45 5.291 16.881 -7.309 1.00 0.00 H new ATOM 0 HG3 GLN B 45 4.288 16.472 -8.687 1.00 0.00 H new ATOM 0 HE21 GLN B 45 7.236 16.471 -8.418 1.00 0.00 H new ATOM 0 HE22 GLN B 45 7.833 17.551 -9.683 1.00 0.00 H new ATOM 1676 N SER B 46 3.607 21.567 -7.825 1.00 0.00 N ATOM 1677 CA SER B 46 2.778 22.759 -7.870 1.00 0.00 C ATOM 1678 C SER B 46 1.527 22.514 -8.709 1.00 0.00 C ATOM 1679 O SER B 46 1.601 22.414 -9.936 1.00 0.00 O ATOM 1680 CB SER B 46 3.576 23.926 -8.457 1.00 0.00 C ATOM 1681 OG SER B 46 4.883 23.985 -7.901 1.00 0.00 O ATOM 0 H SER B 46 4.278 21.495 -8.590 1.00 0.00 H new ATOM 0 HA SER B 46 2.471 23.005 -6.853 1.00 0.00 H new ATOM 0 HB2 SER B 46 3.643 23.817 -9.539 1.00 0.00 H new ATOM 0 HB3 SER B 46 3.053 24.862 -8.263 1.00 0.00 H new ATOM 0 HG SER B 46 5.372 24.738 -8.294 1.00 0.00 H new ATOM 1687 N GLY B 47 0.390 22.393 -8.042 1.00 0.00 N ATOM 1688 CA GLY B 47 -0.864 22.196 -8.737 1.00 0.00 C ATOM 1689 C GLY B 47 -1.110 20.745 -9.094 1.00 0.00 C ATOM 1690 O GLY B 47 -0.489 19.845 -8.523 1.00 0.00 O ATOM 0 H GLY B 47 0.314 22.428 -7.025 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -1.682 22.556 -8.113 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -0.869 22.796 -9.647 1.00 0.00 H new ATOM 1694 N GLY B 48 -2.001 20.520 -10.050 1.00 0.00 N ATOM 1695 CA GLY B 48 -2.371 19.172 -10.426 1.00 0.00 C ATOM 1696 C GLY B 48 -1.360 18.511 -11.342 1.00 0.00 C ATOM 1697 O GLY B 48 -1.681 18.151 -12.475 1.00 0.00 O ATOM 0 H GLY B 48 -2.477 21.254 -10.575 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -2.485 18.569 -9.526 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -3.342 19.193 -10.921 1.00 0.00 H new ATOM 1701 N GLN B 49 -0.133 18.361 -10.861 1.00 0.00 N ATOM 1702 CA GLN B 49 0.884 17.625 -11.598 1.00 0.00 C ATOM 1703 C GLN B 49 0.630 16.133 -11.475 1.00 0.00 C ATOM 1704 O GLN B 49 0.846 15.371 -12.415 1.00 0.00 O ATOM 1705 CB GLN B 49 2.287 17.971 -11.098 1.00 0.00 C ATOM 1706 CG GLN B 49 2.716 19.389 -11.433 1.00 0.00 C ATOM 1707 CD GLN B 49 2.612 19.689 -12.916 1.00 0.00 C ATOM 1708 OE1 GLN B 49 1.591 20.180 -13.393 1.00 0.00 O ATOM 1709 NE2 GLN B 49 3.660 19.377 -13.660 1.00 0.00 N ATOM 0 H GLN B 49 0.181 18.738 -9.967 1.00 0.00 H new ATOM 0 HA GLN B 49 0.825 17.913 -12.648 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.323 17.835 -10.017 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.002 17.271 -11.532 1.00 0.00 H new ATOM 0 HG2 GLN B 49 2.097 20.094 -10.878 1.00 0.00 H new ATOM 0 HG3 GLN B 49 3.744 19.542 -11.105 1.00 0.00 H new ATOM 0 HE21 GLN B 49 4.490 18.971 -13.228 1.00 0.00 H new ATOM 0 HE22 GLN B 49 3.638 19.542 -14.666 1.00 0.00 H new ATOM 1718 N ILE B 50 0.162 15.722 -10.306 1.00 0.00 N ATOM 1719 CA ILE B 50 -0.285 14.355 -10.110 1.00 0.00 C ATOM 1720 C ILE B 50 -1.724 14.246 -10.595 1.00 0.00 C ATOM 1721 O ILE B 50 -2.662 14.642 -9.902 1.00 0.00 O ATOM 1722 CB ILE B 50 -0.178 13.900 -8.630 1.00 0.00 C ATOM 1723 CG1 ILE B 50 1.288 13.769 -8.193 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -0.903 12.579 -8.417 1.00 0.00 C ATOM 1725 CD1 ILE B 50 1.979 15.088 -7.928 1.00 0.00 C ATOM 0 H ILE B 50 0.083 16.316 -9.481 1.00 0.00 H new ATOM 0 HA ILE B 50 0.366 13.694 -10.683 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.653 14.666 -8.017 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.333 13.161 -7.289 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.839 13.233 -8.966 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -0.815 12.280 -7.373 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.956 12.696 -8.673 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.458 11.813 -9.053 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.010 14.904 -7.625 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.970 15.692 -8.835 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.456 15.619 -7.133 1.00 0.00 H new ATOM 1737 N SER B 51 -1.888 13.751 -11.809 1.00 0.00 N ATOM 1738 CA SER B 51 -3.191 13.718 -12.452 1.00 0.00 C ATOM 1739 C SER B 51 -4.010 12.501 -12.027 1.00 0.00 C ATOM 1740 O SER B 51 -5.240 12.505 -12.121 1.00 0.00 O ATOM 1741 CB SER B 51 -3.003 13.743 -13.966 1.00 0.00 C ATOM 1742 OG SER B 51 -1.921 12.911 -14.351 1.00 0.00 O ATOM 0 H SER B 51 -1.131 13.364 -12.373 1.00 0.00 H new ATOM 0 HA SER B 51 -3.752 14.598 -12.137 1.00 0.00 H new ATOM 0 HB2 SER B 51 -3.917 13.409 -14.456 1.00 0.00 H new ATOM 0 HB3 SER B 51 -2.818 14.765 -14.298 1.00 0.00 H new ATOM 0 HG SER B 51 -1.817 12.939 -15.325 1.00 0.00 H new ATOM 1748 N SER B 52 -3.334 11.469 -11.549 1.00 0.00 N ATOM 1749 CA SER B 52 -4.006 10.245 -11.153 1.00 0.00 C ATOM 1750 C SER B 52 -3.342 9.640 -9.921 1.00 0.00 C ATOM 1751 O SER B 52 -2.173 9.914 -9.645 1.00 0.00 O ATOM 1752 CB SER B 52 -3.979 9.246 -12.310 1.00 0.00 C ATOM 1753 OG SER B 52 -2.646 8.966 -12.710 1.00 0.00 O ATOM 0 H SER B 52 -2.321 11.456 -11.426 1.00 0.00 H new ATOM 0 HA SER B 52 -5.041 10.479 -10.903 1.00 0.00 H new ATOM 0 HB2 SER B 52 -4.474 8.322 -12.009 1.00 0.00 H new ATOM 0 HB3 SER B 52 -4.539 9.647 -13.155 1.00 0.00 H new ATOM 0 HG SER B 52 -2.655 8.324 -13.450 1.00 0.00 H new ATOM 1759 N PRO B 53 -4.081 8.818 -9.154 1.00 0.00 N ATOM 1760 CA PRO B 53 -3.518 8.087 -8.015 1.00 0.00 C ATOM 1761 C PRO B 53 -2.336 7.217 -8.435 1.00 0.00 C ATOM 1762 O PRO B 53 -1.406 6.994 -7.660 1.00 0.00 O ATOM 1763 CB PRO B 53 -4.681 7.216 -7.531 1.00 0.00 C ATOM 1764 CG PRO B 53 -5.906 7.907 -8.020 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.524 8.555 -9.319 1.00 0.00 C ATOM 0 HA PRO B 53 -3.132 8.756 -7.246 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -4.611 6.205 -7.932 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -4.684 7.129 -6.445 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -6.723 7.199 -8.162 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -6.249 8.649 -7.300 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -5.719 7.900 -10.168 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -6.084 9.474 -9.490 1.00 0.00 H new ATOM 1773 N SER B 54 -2.372 6.740 -9.675 1.00 0.00 N ATOM 1774 CA SER B 54 -1.288 5.935 -10.206 1.00 0.00 C ATOM 1775 C SER B 54 -0.026 6.783 -10.356 1.00 0.00 C ATOM 1776 O SER B 54 1.041 6.385 -9.898 1.00 0.00 O ATOM 1777 CB SER B 54 -1.681 5.316 -11.551 1.00 0.00 C ATOM 1778 OG SER B 54 -0.706 4.384 -11.992 1.00 0.00 O ATOM 0 H SER B 54 -3.140 6.899 -10.327 1.00 0.00 H new ATOM 0 HA SER B 54 -1.084 5.125 -9.506 1.00 0.00 H new ATOM 0 HB2 SER B 54 -2.647 4.819 -11.457 1.00 0.00 H new ATOM 0 HB3 SER B 54 -1.799 6.103 -12.296 1.00 0.00 H new ATOM 0 HG SER B 54 -0.983 4.003 -12.852 1.00 0.00 H new ATOM 1784 N ASP B 55 -0.165 7.962 -10.970 1.00 0.00 N ATOM 1785 CA ASP B 55 0.965 8.880 -11.161 1.00 0.00 C ATOM 1786 C ASP B 55 1.635 9.188 -9.828 1.00 0.00 C ATOM 1787 O ASP B 55 2.864 9.226 -9.727 1.00 0.00 O ATOM 1788 CB ASP B 55 0.494 10.182 -11.818 1.00 0.00 C ATOM 1789 CG ASP B 55 1.626 11.168 -12.055 1.00 0.00 C ATOM 1790 OD1 ASP B 55 2.335 11.033 -13.076 1.00 0.00 O ATOM 1791 OD2 ASP B 55 1.802 12.091 -11.236 1.00 0.00 O ATOM 0 H ASP B 55 -1.050 8.305 -11.344 1.00 0.00 H new ATOM 0 HA ASP B 55 1.689 8.395 -11.816 1.00 0.00 H new ATOM 0 HB2 ASP B 55 0.015 9.950 -12.770 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -0.262 10.649 -11.186 1.00 0.00 H new ATOM 1796 N LEU B 56 0.811 9.377 -8.805 1.00 0.00 N ATOM 1797 CA LEU B 56 1.290 9.619 -7.450 1.00 0.00 C ATOM 1798 C LEU B 56 2.219 8.497 -6.992 1.00 0.00 C ATOM 1799 O LEU B 56 3.327 8.745 -6.510 1.00 0.00 O ATOM 1800 CB LEU B 56 0.102 9.731 -6.492 1.00 0.00 C ATOM 1801 CG LEU B 56 0.460 10.007 -5.033 1.00 0.00 C ATOM 1802 CD1 LEU B 56 1.165 11.346 -4.903 1.00 0.00 C ATOM 1803 CD2 LEU B 56 -0.789 9.970 -4.162 1.00 0.00 C ATOM 0 H LEU B 56 -0.205 9.367 -8.891 1.00 0.00 H new ATOM 0 HA LEU B 56 1.851 10.554 -7.446 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.553 10.528 -6.844 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.469 8.804 -6.539 1.00 0.00 H new ATOM 0 HG LEU B 56 1.140 9.227 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.413 11.527 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU B 56 2.080 11.335 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU B 56 0.509 12.139 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -0.516 10.169 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -1.493 10.729 -4.503 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -1.253 8.986 -4.233 1.00 0.00 H new ATOM 1815 N ARG B 57 1.769 7.261 -7.160 1.00 0.00 N ATOM 1816 CA ARG B 57 2.547 6.106 -6.738 1.00 0.00 C ATOM 1817 C ARG B 57 3.748 5.902 -7.654 1.00 0.00 C ATOM 1818 O ARG B 57 4.795 5.435 -7.212 1.00 0.00 O ATOM 1819 CB ARG B 57 1.685 4.847 -6.729 1.00 0.00 C ATOM 1820 CG ARG B 57 0.406 4.991 -5.926 1.00 0.00 C ATOM 1821 CD ARG B 57 -0.391 3.702 -5.937 1.00 0.00 C ATOM 1822 NE ARG B 57 -1.804 3.933 -5.671 1.00 0.00 N ATOM 1823 CZ ARG B 57 -2.775 3.534 -6.481 1.00 0.00 C ATOM 1824 NH1 ARG B 57 -2.477 2.888 -7.607 1.00 0.00 N ATOM 1825 NH2 ARG B 57 -4.036 3.793 -6.171 1.00 0.00 N ATOM 0 H ARG B 57 0.870 7.033 -7.585 1.00 0.00 H new ATOM 0 HA ARG B 57 2.903 6.295 -5.725 1.00 0.00 H new ATOM 0 HB2 ARG B 57 1.431 4.583 -7.756 1.00 0.00 H new ATOM 0 HB3 ARG B 57 2.268 4.021 -6.322 1.00 0.00 H new ATOM 0 HG2 ARG B 57 0.646 5.265 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG B 57 -0.198 5.799 -6.339 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -0.279 3.215 -6.906 1.00 0.00 H new ATOM 0 HD3 ARG B 57 0.012 3.020 -5.189 1.00 0.00 H new ATOM 0 HE ARG B 57 -2.060 4.428 -4.817 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -1.503 2.701 -7.845 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -3.223 2.580 -8.231 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -4.257 4.297 -5.312 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -4.787 3.488 -6.791 1.00 0.00 H new ATOM 1839 N GLU B 58 3.591 6.250 -8.927 1.00 0.00 N ATOM 1840 CA GLU B 58 4.677 6.137 -9.894 1.00 0.00 C ATOM 1841 C GLU B 58 5.836 7.050 -9.513 1.00 0.00 C ATOM 1842 O GLU B 58 6.997 6.656 -9.600 1.00 0.00 O ATOM 1843 CB GLU B 58 4.193 6.471 -11.307 1.00 0.00 C ATOM 1844 CG GLU B 58 3.182 5.480 -11.859 1.00 0.00 C ATOM 1845 CD GLU B 58 3.717 4.065 -11.908 1.00 0.00 C ATOM 1846 OE1 GLU B 58 4.542 3.766 -12.795 1.00 0.00 O ATOM 1847 OE2 GLU B 58 3.313 3.240 -11.060 1.00 0.00 O ATOM 0 H GLU B 58 2.720 6.613 -9.314 1.00 0.00 H new ATOM 0 HA GLU B 58 5.024 5.104 -9.882 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.748 7.466 -11.303 1.00 0.00 H new ATOM 0 HB3 GLU B 58 5.053 6.509 -11.976 1.00 0.00 H new ATOM 0 HG2 GLU B 58 2.283 5.503 -11.243 1.00 0.00 H new ATOM 0 HG3 GLU B 58 2.888 5.788 -12.863 1.00 0.00 H new ATOM 1854 N LYS B 59 5.519 8.266 -9.085 1.00 0.00 N ATOM 1855 CA LYS B 59 6.544 9.203 -8.641 1.00 0.00 C ATOM 1856 C LYS B 59 7.270 8.676 -7.413 1.00 0.00 C ATOM 1857 O LYS B 59 8.497 8.739 -7.332 1.00 0.00 O ATOM 1858 CB LYS B 59 5.940 10.581 -8.358 1.00 0.00 C ATOM 1859 CG LYS B 59 5.977 11.500 -9.565 1.00 0.00 C ATOM 1860 CD LYS B 59 7.413 11.789 -9.974 1.00 0.00 C ATOM 1861 CE LYS B 59 7.495 12.439 -11.341 1.00 0.00 C ATOM 1862 NZ LYS B 59 8.905 12.614 -11.778 1.00 0.00 N ATOM 0 H LYS B 59 4.566 8.625 -9.036 1.00 0.00 H new ATOM 0 HA LYS B 59 7.271 9.307 -9.447 1.00 0.00 H new ATOM 0 HB2 LYS B 59 4.907 10.460 -8.031 1.00 0.00 H new ATOM 0 HB3 LYS B 59 6.482 11.048 -7.535 1.00 0.00 H new ATOM 0 HG2 LYS B 59 5.442 11.040 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS B 59 5.464 12.434 -9.334 1.00 0.00 H new ATOM 0 HD2 LYS B 59 7.876 12.442 -9.234 1.00 0.00 H new ATOM 0 HD3 LYS B 59 7.982 10.859 -9.980 1.00 0.00 H new ATOM 0 HE2 LYS B 59 6.961 11.827 -12.068 1.00 0.00 H new ATOM 0 HE3 LYS B 59 6.998 13.409 -11.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 8.984 12.398 -12.792 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 9.201 13.597 -11.610 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 9.518 11.970 -11.238 1.00 0.00 H new ATOM 1876 N LEU B 60 6.513 8.134 -6.473 1.00 0.00 N ATOM 1877 CA LEU B 60 7.096 7.538 -5.280 1.00 0.00 C ATOM 1878 C LEU B 60 7.943 6.325 -5.654 1.00 0.00 C ATOM 1879 O LEU B 60 9.016 6.109 -5.097 1.00 0.00 O ATOM 1880 CB LEU B 60 5.995 7.141 -4.298 1.00 0.00 C ATOM 1881 CG LEU B 60 5.181 8.312 -3.742 1.00 0.00 C ATOM 1882 CD1 LEU B 60 4.011 7.807 -2.920 1.00 0.00 C ATOM 1883 CD2 LEU B 60 6.064 9.223 -2.902 1.00 0.00 C ATOM 0 H LEU B 60 5.495 8.094 -6.512 1.00 0.00 H new ATOM 0 HA LEU B 60 7.741 8.273 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.316 6.448 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.447 6.602 -3.465 1.00 0.00 H new ATOM 0 HG LEU B 60 4.790 8.886 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.445 8.655 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.364 7.194 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.382 7.209 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.469 10.050 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.484 8.657 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.873 9.615 -3.519 1.00 0.00 H new ATOM 1895 N SER B 61 7.463 5.553 -6.619 1.00 0.00 N ATOM 1896 CA SER B 61 8.190 4.391 -7.111 1.00 0.00 C ATOM 1897 C SER B 61 9.485 4.806 -7.806 1.00 0.00 C ATOM 1898 O SER B 61 10.520 4.160 -7.639 1.00 0.00 O ATOM 1899 CB SER B 61 7.310 3.595 -8.073 1.00 0.00 C ATOM 1900 OG SER B 61 6.157 3.094 -7.415 1.00 0.00 O ATOM 0 H SER B 61 6.567 5.712 -7.079 1.00 0.00 H new ATOM 0 HA SER B 61 8.450 3.764 -6.258 1.00 0.00 H new ATOM 0 HB2 SER B 61 7.010 4.230 -8.906 1.00 0.00 H new ATOM 0 HB3 SER B 61 7.881 2.767 -8.493 1.00 0.00 H new ATOM 0 HG SER B 61 5.535 3.831 -7.238 1.00 0.00 H new ATOM 1906 N GLU B 62 9.418 5.889 -8.577 1.00 0.00 N ATOM 1907 CA GLU B 62 10.589 6.419 -9.264 1.00 0.00 C ATOM 1908 C GLU B 62 11.676 6.780 -8.262 1.00 0.00 C ATOM 1909 O GLU B 62 12.818 6.336 -8.378 1.00 0.00 O ATOM 1910 CB GLU B 62 10.212 7.655 -10.090 1.00 0.00 C ATOM 1911 CG GLU B 62 11.408 8.366 -10.705 1.00 0.00 C ATOM 1912 CD GLU B 62 11.025 9.626 -11.455 1.00 0.00 C ATOM 1913 OE1 GLU B 62 10.364 10.504 -10.864 1.00 0.00 O ATOM 1914 OE2 GLU B 62 11.405 9.759 -12.638 1.00 0.00 O ATOM 0 H GLU B 62 8.561 6.417 -8.741 1.00 0.00 H new ATOM 0 HA GLU B 62 10.969 5.648 -9.935 1.00 0.00 H new ATOM 0 HB2 GLU B 62 9.530 7.355 -10.886 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.671 8.356 -9.454 1.00 0.00 H new ATOM 0 HG2 GLU B 62 12.118 8.620 -9.917 1.00 0.00 H new ATOM 0 HG3 GLU B 62 11.918 7.685 -11.386 1.00 0.00 H new ATOM 1921 N LEU B 63 11.304 7.570 -7.263 1.00 0.00 N ATOM 1922 CA LEU B 63 12.257 8.031 -6.266 1.00 0.00 C ATOM 1923 C LEU B 63 12.743 6.870 -5.404 1.00 0.00 C ATOM 1924 O LEU B 63 13.903 6.838 -4.997 1.00 0.00 O ATOM 1925 CB LEU B 63 11.633 9.118 -5.389 1.00 0.00 C ATOM 1926 CG LEU B 63 11.005 10.294 -6.145 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.508 11.348 -5.169 1.00 0.00 C ATOM 1928 CD2 LEU B 63 11.994 10.902 -7.130 1.00 0.00 C ATOM 0 H LEU B 63 10.350 7.904 -7.123 1.00 0.00 H new ATOM 0 HA LEU B 63 13.115 8.455 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.867 8.660 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.401 9.507 -4.720 1.00 0.00 H new ATOM 0 HG LEU B 63 10.154 9.916 -6.712 1.00 0.00 H new ATOM 0 HD11 LEU B 63 10.065 12.176 -5.722 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.758 10.909 -4.510 1.00 0.00 H new ATOM 0 HD13 LEU B 63 11.344 11.715 -4.574 1.00 0.00 H new ATOM 0 HD21 LEU B 63 11.522 11.734 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU B 63 12.870 11.262 -6.591 1.00 0.00 H new ATOM 0 HD23 LEU B 63 12.299 10.146 -7.853 1.00 0.00 H new ATOM 1940 N ALA B 64 11.857 5.913 -5.140 1.00 0.00 N ATOM 1941 CA ALA B 64 12.206 4.740 -4.344 1.00 0.00 C ATOM 1942 C ALA B 64 13.250 3.891 -5.055 1.00 0.00 C ATOM 1943 O ALA B 64 14.280 3.536 -4.473 1.00 0.00 O ATOM 1944 CB ALA B 64 10.967 3.908 -4.044 1.00 0.00 C ATOM 0 H ALA B 64 10.891 5.927 -5.466 1.00 0.00 H new ATOM 0 HA ALA B 64 12.630 5.088 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.248 3.038 -3.450 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.250 4.511 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.515 3.578 -4.979 1.00 0.00 H new ATOM 1950 N ASP B 65 12.991 3.582 -6.319 1.00 0.00 N ATOM 1951 CA ASP B 65 13.914 2.784 -7.114 1.00 0.00 C ATOM 1952 C ASP B 65 15.224 3.537 -7.313 1.00 0.00 C ATOM 1953 O ASP B 65 16.302 2.943 -7.305 1.00 0.00 O ATOM 1954 CB ASP B 65 13.291 2.431 -8.467 1.00 0.00 C ATOM 1955 CG ASP B 65 14.184 1.534 -9.301 1.00 0.00 C ATOM 1956 OD1 ASP B 65 14.620 0.482 -8.792 1.00 0.00 O ATOM 1957 OD2 ASP B 65 14.450 1.874 -10.473 1.00 0.00 O ATOM 0 H ASP B 65 12.149 3.872 -6.816 1.00 0.00 H new ATOM 0 HA ASP B 65 14.121 1.857 -6.579 1.00 0.00 H new ATOM 0 HB2 ASP B 65 12.334 1.935 -8.304 1.00 0.00 H new ATOM 0 HB3 ASP B 65 13.085 3.348 -9.019 1.00 0.00 H new ATOM 1962 N ALA B 66 15.118 4.853 -7.464 1.00 0.00 N ATOM 1963 CA ALA B 66 16.288 5.713 -7.591 1.00 0.00 C ATOM 1964 C ALA B 66 17.150 5.648 -6.334 1.00 0.00 C ATOM 1965 O ALA B 66 18.378 5.647 -6.413 1.00 0.00 O ATOM 1966 CB ALA B 66 15.862 7.146 -7.868 1.00 0.00 C ATOM 0 H ALA B 66 14.228 5.349 -7.502 1.00 0.00 H new ATOM 0 HA ALA B 66 16.884 5.356 -8.431 1.00 0.00 H new ATOM 0 HB1 ALA B 66 16.746 7.777 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA B 66 15.291 7.183 -8.796 1.00 0.00 H new ATOM 0 HB3 ALA B 66 15.243 7.507 -7.047 1.00 0.00 H new ATOM 1972 N LYS B 67 16.500 5.598 -5.175 1.00 0.00 N ATOM 1973 CA LYS B 67 17.205 5.442 -3.908 1.00 0.00 C ATOM 1974 C LYS B 67 17.881 4.078 -3.843 1.00 0.00 C ATOM 1975 O LYS B 67 19.019 3.954 -3.386 1.00 0.00 O ATOM 1976 CB LYS B 67 16.244 5.593 -2.725 1.00 0.00 C ATOM 1977 CG LYS B 67 15.729 7.008 -2.514 1.00 0.00 C ATOM 1978 CD LYS B 67 16.862 7.970 -2.211 1.00 0.00 C ATOM 1979 CE LYS B 67 16.345 9.342 -1.818 1.00 0.00 C ATOM 1980 NZ LYS B 67 17.455 10.287 -1.528 1.00 0.00 N ATOM 0 H LYS B 67 15.486 5.663 -5.088 1.00 0.00 H new ATOM 0 HA LYS B 67 17.962 6.224 -3.847 1.00 0.00 H new ATOM 0 HB2 LYS B 67 15.394 4.928 -2.876 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.749 5.264 -1.817 1.00 0.00 H new ATOM 0 HG2 LYS B 67 15.197 7.340 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS B 67 15.012 7.017 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS B 67 17.475 7.568 -1.404 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.506 8.061 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS B 67 15.728 9.742 -2.622 1.00 0.00 H new ATOM 0 HE3 LYS B 67 15.705 9.252 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 17.062 11.213 -1.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 18.029 9.918 -0.744 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 18.051 10.393 -2.374 1.00 0.00 H new ATOM 1994 N GLY B 68 17.176 3.064 -4.317 1.00 0.00 N ATOM 1995 CA GLY B 68 17.707 1.718 -4.303 1.00 0.00 C ATOM 1996 C GLY B 68 16.784 0.748 -3.598 1.00 0.00 C ATOM 1997 O GLY B 68 17.221 -0.298 -3.115 1.00 0.00 O ATOM 0 H GLY B 68 16.240 3.150 -4.713 1.00 0.00 H new ATOM 0 HA2 GLY B 68 17.870 1.383 -5.327 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.678 1.717 -3.809 1.00 0.00 H new ATOM 2001 N GLY B 69 15.506 1.090 -3.537 1.00 0.00 N ATOM 2002 CA GLY B 69 14.538 0.231 -2.891 1.00 0.00 C ATOM 2003 C GLY B 69 13.431 -0.180 -3.836 1.00 0.00 C ATOM 2004 O GLY B 69 13.072 0.568 -4.739 1.00 0.00 O ATOM 0 H GLY B 69 15.121 1.951 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY B 69 15.039 -0.659 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY B 69 14.109 0.748 -2.032 1.00 0.00 H new ATOM 2008 N LYS B 70 12.895 -1.373 -3.634 1.00 0.00 N ATOM 2009 CA LYS B 70 11.820 -1.875 -4.482 1.00 0.00 C ATOM 2010 C LYS B 70 10.486 -1.766 -3.758 1.00 0.00 C ATOM 2011 O LYS B 70 9.424 -2.019 -4.331 1.00 0.00 O ATOM 2012 CB LYS B 70 12.089 -3.328 -4.884 1.00 0.00 C ATOM 2013 CG LYS B 70 13.364 -3.511 -5.693 1.00 0.00 C ATOM 2014 CD LYS B 70 13.328 -2.706 -6.983 1.00 0.00 C ATOM 2015 CE LYS B 70 14.595 -2.898 -7.799 1.00 0.00 C ATOM 2016 NZ LYS B 70 14.561 -2.121 -9.064 1.00 0.00 N ATOM 0 H LYS B 70 13.184 -2.012 -2.893 1.00 0.00 H new ATOM 0 HA LYS B 70 11.779 -1.268 -5.387 1.00 0.00 H new ATOM 0 HB2 LYS B 70 12.149 -3.940 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS B 70 11.244 -3.698 -5.465 1.00 0.00 H new ATOM 0 HG2 LYS B 70 14.222 -3.204 -5.095 1.00 0.00 H new ATOM 0 HG3 LYS B 70 13.500 -4.567 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS B 70 12.464 -3.006 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS B 70 13.202 -1.649 -6.749 1.00 0.00 H new ATOM 0 HE2 LYS B 70 15.458 -2.592 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS B 70 14.724 -3.956 -8.026 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 15.516 -2.084 -9.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 13.913 -2.580 -9.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 14.230 -1.154 -8.869 1.00 0.00 H new ATOM 2030 N TYR B 71 10.555 -1.379 -2.495 1.00 0.00 N ATOM 2031 CA TYR B 71 9.372 -1.225 -1.670 1.00 0.00 C ATOM 2032 C TYR B 71 9.340 0.181 -1.103 1.00 0.00 C ATOM 2033 O TYR B 71 10.386 0.802 -0.916 1.00 0.00 O ATOM 2034 CB TYR B 71 9.376 -2.235 -0.517 1.00 0.00 C ATOM 2035 CG TYR B 71 9.683 -3.654 -0.937 1.00 0.00 C ATOM 2036 CD1 TYR B 71 8.671 -4.524 -1.324 1.00 0.00 C ATOM 2037 CD2 TYR B 71 10.989 -4.123 -0.940 1.00 0.00 C ATOM 2038 CE1 TYR B 71 8.956 -5.823 -1.704 1.00 0.00 C ATOM 2039 CE2 TYR B 71 11.281 -5.417 -1.317 1.00 0.00 C ATOM 2040 CZ TYR B 71 10.264 -6.263 -1.699 1.00 0.00 C ATOM 2041 OH TYR B 71 10.558 -7.554 -2.071 1.00 0.00 O ATOM 0 H TYR B 71 11.429 -1.164 -2.016 1.00 0.00 H new ATOM 0 HA TYR B 71 8.491 -1.404 -2.286 1.00 0.00 H new ATOM 0 HB2 TYR B 71 10.111 -1.920 0.224 1.00 0.00 H new ATOM 0 HB3 TYR B 71 8.402 -2.215 -0.028 1.00 0.00 H new ATOM 0 HD1 TYR B 71 7.647 -4.181 -1.328 1.00 0.00 H new ATOM 0 HD2 TYR B 71 11.791 -3.463 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR B 71 8.160 -6.489 -2.003 1.00 0.00 H new ATOM 0 HE2 TYR B 71 12.303 -5.765 -1.313 1.00 0.00 H new ATOM 0 HH TYR B 71 11.309 -7.886 -1.536 1.00 0.00 H new ATOM 2051 N TYR B 72 8.152 0.687 -0.841 1.00 0.00 N ATOM 2052 CA TYR B 72 8.017 1.979 -0.197 1.00 0.00 C ATOM 2053 C TYR B 72 6.842 1.965 0.767 1.00 0.00 C ATOM 2054 O TYR B 72 6.042 1.027 0.780 1.00 0.00 O ATOM 2055 CB TYR B 72 7.865 3.105 -1.234 1.00 0.00 C ATOM 2056 CG TYR B 72 6.581 3.069 -2.037 1.00 0.00 C ATOM 2057 CD1 TYR B 72 6.485 2.322 -3.204 1.00 0.00 C ATOM 2058 CD2 TYR B 72 5.467 3.794 -1.631 1.00 0.00 C ATOM 2059 CE1 TYR B 72 5.315 2.296 -3.940 1.00 0.00 C ATOM 2060 CE2 TYR B 72 4.297 3.772 -2.363 1.00 0.00 C ATOM 2061 CZ TYR B 72 4.225 3.023 -3.515 1.00 0.00 C ATOM 2062 OH TYR B 72 3.058 3.003 -4.241 1.00 0.00 O ATOM 0 H TYR B 72 7.269 0.226 -1.063 1.00 0.00 H new ATOM 0 HA TYR B 72 8.928 2.176 0.369 1.00 0.00 H new ATOM 0 HB2 TYR B 72 7.926 4.063 -0.719 1.00 0.00 H new ATOM 0 HB3 TYR B 72 8.708 3.059 -1.923 1.00 0.00 H new ATOM 0 HD1 TYR B 72 7.338 1.752 -3.542 1.00 0.00 H new ATOM 0 HD2 TYR B 72 5.518 4.384 -0.728 1.00 0.00 H new ATOM 0 HE1 TYR B 72 5.256 1.708 -4.844 1.00 0.00 H new ATOM 0 HE2 TYR B 72 3.441 4.341 -2.033 1.00 0.00 H new ATOM 0 HH TYR B 72 2.389 3.569 -3.801 1.00 0.00 H new ATOM 2072 N HIS B 73 6.761 2.995 1.588 1.00 0.00 N ATOM 2073 CA HIS B 73 5.683 3.131 2.550 1.00 0.00 C ATOM 2074 C HIS B 73 5.290 4.595 2.685 1.00 0.00 C ATOM 2075 O HIS B 73 6.039 5.390 3.247 1.00 0.00 O ATOM 2076 CB HIS B 73 6.118 2.563 3.907 1.00 0.00 C ATOM 2077 CG HIS B 73 5.118 2.766 5.004 1.00 0.00 C ATOM 2078 ND1 HIS B 73 4.042 1.929 5.208 1.00 0.00 N ATOM 2079 CD2 HIS B 73 5.033 3.723 5.957 1.00 0.00 C ATOM 2080 CE1 HIS B 73 3.338 2.366 6.237 1.00 0.00 C ATOM 2081 NE2 HIS B 73 3.920 3.451 6.708 1.00 0.00 N ATOM 0 H HIS B 73 7.437 3.758 1.607 1.00 0.00 H new ATOM 0 HA HIS B 73 4.817 2.569 2.200 1.00 0.00 H new ATOM 0 HB2 HIS B 73 6.309 1.496 3.797 1.00 0.00 H new ATOM 0 HB3 HIS B 73 7.060 3.028 4.198 1.00 0.00 H new ATOM 0 HD1 HIS B 73 3.824 1.102 4.652 1.00 0.00 H new ATOM 0 HD2 HIS B 73 5.716 4.548 6.099 1.00 0.00 H new ATOM 0 HE1 HIS B 73 2.439 1.912 6.626 1.00 0.00 H new ATOM 2090 N ILE B 74 4.126 4.949 2.160 1.00 0.00 N ATOM 2091 CA ILE B 74 3.652 6.325 2.231 1.00 0.00 C ATOM 2092 C ILE B 74 3.229 6.653 3.656 1.00 0.00 C ATOM 2093 O ILE B 74 2.329 6.017 4.204 1.00 0.00 O ATOM 2094 CB ILE B 74 2.457 6.576 1.284 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.732 5.986 -0.101 1.00 0.00 C ATOM 2096 CG2 ILE B 74 2.181 8.071 1.176 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.564 6.110 -1.058 1.00 0.00 C ATOM 0 H ILE B 74 3.494 4.306 1.682 1.00 0.00 H new ATOM 0 HA ILE B 74 4.475 6.968 1.920 1.00 0.00 H new ATOM 0 HB ILE B 74 1.577 6.083 1.698 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.599 6.485 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE B 74 2.992 4.933 0.007 1.00 0.00 H new ATOM 0 HG21 ILE B 74 1.337 8.238 0.506 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.946 8.470 2.163 1.00 0.00 H new ATOM 0 HG23 ILE B 74 3.063 8.576 0.781 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.832 5.670 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.700 5.586 -0.648 1.00 0.00 H new ATOM 0 HD13 ILE B 74 1.318 7.163 -1.197 1.00 0.00 H new ATOM 2109 N ILE B 75 3.880 7.636 4.260 1.00 0.00 N ATOM 2110 CA ILE B 75 3.570 8.004 5.633 1.00 0.00 C ATOM 2111 C ILE B 75 2.577 9.156 5.683 1.00 0.00 C ATOM 2112 O ILE B 75 1.724 9.208 6.569 1.00 0.00 O ATOM 2113 CB ILE B 75 4.835 8.370 6.444 1.00 0.00 C ATOM 2114 CG1 ILE B 75 5.620 9.499 5.767 1.00 0.00 C ATOM 2115 CG2 ILE B 75 5.712 7.143 6.626 1.00 0.00 C ATOM 2116 CD1 ILE B 75 6.833 9.953 6.553 1.00 0.00 C ATOM 0 H ILE B 75 4.619 8.189 3.826 1.00 0.00 H new ATOM 0 HA ILE B 75 3.120 7.124 6.092 1.00 0.00 H new ATOM 0 HB ILE B 75 4.520 8.727 7.425 1.00 0.00 H new ATOM 0 HG12 ILE B 75 5.941 9.165 4.780 1.00 0.00 H new ATOM 0 HG13 ILE B 75 4.957 10.351 5.615 1.00 0.00 H new ATOM 0 HG21 ILE B 75 6.600 7.412 7.198 1.00 0.00 H new ATOM 0 HG22 ILE B 75 5.155 6.374 7.161 1.00 0.00 H new ATOM 0 HG23 ILE B 75 6.011 6.762 5.650 1.00 0.00 H new ATOM 0 HD11 ILE B 75 7.338 10.753 6.012 1.00 0.00 H new ATOM 0 HD12 ILE B 75 6.517 10.318 7.530 1.00 0.00 H new ATOM 0 HD13 ILE B 75 7.517 9.115 6.683 1.00 0.00 H new ATOM 2128 N ALA B 76 2.676 10.070 4.726 1.00 0.00 N ATOM 2129 CA ALA B 76 1.797 11.227 4.695 1.00 0.00 C ATOM 2130 C ALA B 76 1.765 11.860 3.313 1.00 0.00 C ATOM 2131 O ALA B 76 2.799 12.244 2.770 1.00 0.00 O ATOM 2132 CB ALA B 76 2.232 12.254 5.733 1.00 0.00 C ATOM 0 H ALA B 76 3.354 10.031 3.965 1.00 0.00 H new ATOM 0 HA ALA B 76 0.790 10.886 4.934 1.00 0.00 H new ATOM 0 HB1 ALA B 76 1.563 13.114 5.696 1.00 0.00 H new ATOM 0 HB2 ALA B 76 2.194 11.806 6.726 1.00 0.00 H new ATOM 0 HB3 ALA B 76 3.251 12.577 5.520 1.00 0.00 H new ATOM 2138 N ALA B 77 0.576 11.952 2.745 1.00 0.00 N ATOM 2139 CA ALA B 77 0.383 12.648 1.485 1.00 0.00 C ATOM 2140 C ALA B 77 -0.517 13.850 1.716 1.00 0.00 C ATOM 2141 O ALA B 77 -1.742 13.730 1.720 1.00 0.00 O ATOM 2142 CB ALA B 77 -0.208 11.718 0.436 1.00 0.00 C ATOM 0 H ALA B 77 -0.275 11.551 3.139 1.00 0.00 H new ATOM 0 HA ALA B 77 1.348 12.989 1.109 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -0.343 12.263 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA B 77 0.467 10.878 0.272 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -1.172 11.346 0.782 1.00 0.00 H new ATOM 2148 N ARG B 78 0.090 15.004 1.939 1.00 0.00 N ATOM 2149 CA ARG B 78 -0.664 16.183 2.327 1.00 0.00 C ATOM 2150 C ARG B 78 -0.855 17.127 1.154 1.00 0.00 C ATOM 2151 O ARG B 78 -0.078 17.127 0.199 1.00 0.00 O ATOM 2152 CB ARG B 78 0.006 16.931 3.490 1.00 0.00 C ATOM 2153 CG ARG B 78 1.371 17.524 3.164 1.00 0.00 C ATOM 2154 CD ARG B 78 2.496 16.556 3.484 1.00 0.00 C ATOM 2155 NE ARG B 78 2.539 16.224 4.910 1.00 0.00 N ATOM 2156 CZ ARG B 78 3.628 15.792 5.546 1.00 0.00 C ATOM 2157 NH1 ARG B 78 4.786 15.713 4.907 1.00 0.00 N ATOM 2158 NH2 ARG B 78 3.563 15.466 6.830 1.00 0.00 N ATOM 0 H ARG B 78 1.096 15.149 1.859 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.641 15.833 2.661 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -0.655 17.734 3.816 1.00 0.00 H new ATOM 0 HB3 ARG B 78 0.114 16.246 4.331 1.00 0.00 H new ATOM 0 HG2 ARG B 78 1.409 17.790 2.108 1.00 0.00 H new ATOM 0 HG3 ARG B 78 1.512 18.445 3.730 1.00 0.00 H new ATOM 0 HD2 ARG B 78 2.367 15.643 2.902 1.00 0.00 H new ATOM 0 HD3 ARG B 78 3.448 16.993 3.184 1.00 0.00 H new ATOM 0 HE ARG B 78 1.681 16.330 5.451 1.00 0.00 H new ATOM 0 HH11 ARG B 78 4.846 15.983 3.925 1.00 0.00 H new ATOM 0 HH12 ARG B 78 5.617 15.382 5.397 1.00 0.00 H new ATOM 0 HH21 ARG B 78 2.679 15.546 7.332 1.00 0.00 H new ATOM 0 HH22 ARG B 78 4.397 15.136 7.315 1.00 0.00 H new ATOM 2172 N GLU B 79 -1.892 17.930 1.251 1.00 0.00 N ATOM 2173 CA GLU B 79 -2.205 18.914 0.236 1.00 0.00 C ATOM 2174 C GLU B 79 -2.178 20.294 0.874 1.00 0.00 C ATOM 2175 O GLU B 79 -3.158 20.735 1.474 1.00 0.00 O ATOM 2176 CB GLU B 79 -3.577 18.620 -0.377 1.00 0.00 C ATOM 2177 CG GLU B 79 -3.883 19.413 -1.637 1.00 0.00 C ATOM 2178 CD GLU B 79 -5.186 18.981 -2.281 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -5.175 18.007 -3.065 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -6.231 19.605 -2.001 1.00 0.00 O ATOM 0 H GLU B 79 -2.543 17.920 2.036 1.00 0.00 H new ATOM 0 HA GLU B 79 -1.468 18.874 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -3.638 17.556 -0.607 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -4.346 18.830 0.366 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -3.934 20.474 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -3.068 19.288 -2.350 1.00 0.00 H new ATOM 2187 N HIS B 80 -1.033 20.945 0.785 1.00 0.00 N ATOM 2188 CA HIS B 80 -0.828 22.222 1.447 1.00 0.00 C ATOM 2189 C HIS B 80 -1.075 23.355 0.461 1.00 0.00 C ATOM 2190 O HIS B 80 -0.144 23.857 -0.175 1.00 0.00 O ATOM 2191 CB HIS B 80 0.597 22.285 2.014 1.00 0.00 C ATOM 2192 CG HIS B 80 0.822 23.367 3.026 1.00 0.00 C ATOM 2193 ND1 HIS B 80 0.763 23.145 4.385 1.00 0.00 N ATOM 2194 CD2 HIS B 80 1.135 24.675 2.878 1.00 0.00 C ATOM 2195 CE1 HIS B 80 1.026 24.267 5.024 1.00 0.00 C ATOM 2196 NE2 HIS B 80 1.258 25.212 4.134 1.00 0.00 N ATOM 0 H HIS B 80 -0.227 20.609 0.258 1.00 0.00 H new ATOM 0 HA HIS B 80 -1.531 22.327 2.273 1.00 0.00 H new ATOM 0 HB2 HIS B 80 0.834 21.324 2.471 1.00 0.00 H new ATOM 0 HB3 HIS B 80 1.295 22.427 1.189 1.00 0.00 H new ATOM 0 HD2 HIS B 80 1.264 25.200 1.943 1.00 0.00 H new ATOM 0 HE1 HIS B 80 1.048 24.392 6.097 1.00 0.00 H new ATOM 0 HE2 HIS B 80 1.491 26.182 4.345 1.00 0.00 H new ATOM 2205 N GLY B 81 -2.338 23.719 0.302 1.00 0.00 N ATOM 2206 CA GLY B 81 -2.700 24.727 -0.669 1.00 0.00 C ATOM 2207 C GLY B 81 -2.615 24.180 -2.074 1.00 0.00 C ATOM 2208 O GLY B 81 -3.193 23.131 -2.367 1.00 0.00 O ATOM 0 H GLY B 81 -3.120 23.332 0.830 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -3.713 25.079 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -2.038 25.587 -0.569 1.00 0.00 H new ATOM 2212 N PRO B 82 -1.885 24.859 -2.966 1.00 0.00 N ATOM 2213 CA PRO B 82 -1.631 24.366 -4.313 1.00 0.00 C ATOM 2214 C PRO B 82 -0.389 23.475 -4.367 1.00 0.00 C ATOM 2215 O PRO B 82 -0.001 22.995 -5.429 1.00 0.00 O ATOM 2216 CB PRO B 82 -1.404 25.656 -5.096 1.00 0.00 C ATOM 2217 CG PRO B 82 -0.782 26.593 -4.113 1.00 0.00 C ATOM 2218 CD PRO B 82 -1.273 26.184 -2.745 1.00 0.00 C ATOM 0 HA PRO B 82 -2.440 23.747 -4.700 1.00 0.00 H new ATOM 0 HB2 PRO B 82 -0.750 25.489 -5.952 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -2.342 26.054 -5.483 1.00 0.00 H new ATOM 0 HG2 PRO B 82 0.306 26.540 -4.164 1.00 0.00 H new ATOM 0 HG3 PRO B 82 -1.062 27.624 -4.331 1.00 0.00 H new ATOM 0 HD2 PRO B 82 -0.455 26.131 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -1.997 26.897 -2.351 1.00 0.00 H new ATOM 2226 N ASN B 83 0.241 23.271 -3.216 1.00 0.00 N ATOM 2227 CA ASN B 83 1.462 22.474 -3.137 1.00 0.00 C ATOM 2228 C ASN B 83 1.189 21.126 -2.486 1.00 0.00 C ATOM 2229 O ASN B 83 1.018 21.032 -1.266 1.00 0.00 O ATOM 2230 CB ASN B 83 2.551 23.222 -2.359 1.00 0.00 C ATOM 2231 CG ASN B 83 3.277 24.274 -3.187 1.00 0.00 C ATOM 2232 OD1 ASN B 83 2.612 24.811 -4.200 1.00 0.00 O flip ATOM 2233 ND2 ASN B 83 4.436 24.591 -2.919 1.00 0.00 N flip ATOM 0 H ASN B 83 -0.074 23.647 -2.322 1.00 0.00 H new ATOM 0 HA ASN B 83 1.814 22.303 -4.154 1.00 0.00 H new ATOM 0 HB2 ASN B 83 2.101 23.702 -1.490 1.00 0.00 H new ATOM 0 HB3 ASN B 83 3.278 22.502 -1.984 1.00 0.00 H new ATOM 0 HD21 ASN B 83 4.915 24.155 -2.131 1.00 0.00 H new ATOM 0 HD22 ASN B 83 4.918 25.290 -3.485 1.00 0.00 H new ATOM 2240 N PHE B 84 1.141 20.089 -3.304 1.00 0.00 N ATOM 2241 CA PHE B 84 0.887 18.740 -2.823 1.00 0.00 C ATOM 2242 C PHE B 84 2.207 18.046 -2.499 1.00 0.00 C ATOM 2243 O PHE B 84 3.164 18.146 -3.267 1.00 0.00 O ATOM 2244 CB PHE B 84 0.112 17.949 -3.883 1.00 0.00 C ATOM 2245 CG PHE B 84 -0.333 16.587 -3.423 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -1.522 16.432 -2.731 1.00 0.00 C ATOM 2247 CD2 PHE B 84 0.438 15.465 -3.683 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.934 15.185 -2.305 1.00 0.00 C ATOM 2249 CE2 PHE B 84 0.030 14.216 -3.258 1.00 0.00 C ATOM 2250 CZ PHE B 84 -1.157 14.075 -2.569 1.00 0.00 C ATOM 0 H PHE B 84 1.276 20.156 -4.313 1.00 0.00 H new ATOM 0 HA PHE B 84 0.288 18.789 -1.914 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -0.764 18.524 -4.183 1.00 0.00 H new ATOM 0 HB3 PHE B 84 0.738 17.836 -4.768 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -2.134 17.297 -2.522 1.00 0.00 H new ATOM 0 HD2 PHE B 84 1.367 15.569 -4.223 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.864 15.078 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE B 84 0.640 13.349 -3.465 1.00 0.00 H new ATOM 0 HZ PHE B 84 -1.477 13.099 -2.237 1.00 0.00 H new ATOM 2260 N GLU B 85 2.259 17.358 -1.363 1.00 0.00 N ATOM 2261 CA GLU B 85 3.480 16.682 -0.933 1.00 0.00 C ATOM 2262 C GLU B 85 3.193 15.255 -0.488 1.00 0.00 C ATOM 2263 O GLU B 85 2.489 15.028 0.498 1.00 0.00 O ATOM 2264 CB GLU B 85 4.146 17.443 0.214 1.00 0.00 C ATOM 2265 CG GLU B 85 4.622 18.834 -0.159 1.00 0.00 C ATOM 2266 CD GLU B 85 5.301 19.531 0.996 1.00 0.00 C ATOM 2267 OE1 GLU B 85 4.591 20.006 1.906 1.00 0.00 O ATOM 2268 OE2 GLU B 85 6.547 19.609 1.004 1.00 0.00 O ATOM 0 H GLU B 85 1.471 17.253 -0.724 1.00 0.00 H new ATOM 0 HA GLU B 85 4.154 16.656 -1.789 1.00 0.00 H new ATOM 0 HB2 GLU B 85 3.441 17.522 1.041 1.00 0.00 H new ATOM 0 HB3 GLU B 85 4.996 16.864 0.574 1.00 0.00 H new ATOM 0 HG2 GLU B 85 5.314 18.767 -0.999 1.00 0.00 H new ATOM 0 HG3 GLU B 85 3.773 19.430 -0.493 1.00 0.00 H new ATOM 2275 N ALA B 86 3.741 14.299 -1.217 1.00 0.00 N ATOM 2276 CA ALA B 86 3.608 12.895 -0.863 1.00 0.00 C ATOM 2277 C ALA B 86 4.917 12.367 -0.290 1.00 0.00 C ATOM 2278 O ALA B 86 5.911 12.245 -1.006 1.00 0.00 O ATOM 2279 CB ALA B 86 3.190 12.079 -2.074 1.00 0.00 C ATOM 0 H ALA B 86 4.285 14.470 -2.062 1.00 0.00 H new ATOM 0 HA ALA B 86 2.834 12.801 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA B 86 3.095 11.031 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.232 12.443 -2.445 1.00 0.00 H new ATOM 0 HB3 ALA B 86 3.943 12.177 -2.856 1.00 0.00 H new ATOM 2285 N VAL B 87 4.914 12.070 1.001 1.00 0.00 N ATOM 2286 CA VAL B 87 6.113 11.600 1.679 1.00 0.00 C ATOM 2287 C VAL B 87 6.031 10.099 1.943 1.00 0.00 C ATOM 2288 O VAL B 87 5.038 9.604 2.488 1.00 0.00 O ATOM 2289 CB VAL B 87 6.328 12.340 3.015 1.00 0.00 C ATOM 2290 CG1 VAL B 87 7.665 11.967 3.634 1.00 0.00 C ATOM 2291 CG2 VAL B 87 6.234 13.842 2.814 1.00 0.00 C ATOM 0 H VAL B 87 4.093 12.146 1.601 1.00 0.00 H new ATOM 0 HA VAL B 87 6.958 11.807 1.023 1.00 0.00 H new ATOM 0 HB VAL B 87 5.540 12.033 3.702 1.00 0.00 H new ATOM 0 HG11 VAL B 87 7.792 12.502 4.575 1.00 0.00 H new ATOM 0 HG12 VAL B 87 7.693 10.893 3.821 1.00 0.00 H new ATOM 0 HG13 VAL B 87 8.470 12.237 2.951 1.00 0.00 H new ATOM 0 HG21 VAL B 87 6.388 14.347 3.768 1.00 0.00 H new ATOM 0 HG22 VAL B 87 6.998 14.163 2.106 1.00 0.00 H new ATOM 0 HG23 VAL B 87 5.248 14.096 2.424 1.00 0.00 H new ATOM 2301 N ALA B 88 7.080 9.382 1.563 1.00 0.00 N ATOM 2302 CA ALA B 88 7.124 7.938 1.725 1.00 0.00 C ATOM 2303 C ALA B 88 8.512 7.478 2.157 1.00 0.00 C ATOM 2304 O ALA B 88 9.501 8.182 1.954 1.00 0.00 O ATOM 2305 CB ALA B 88 6.724 7.252 0.427 1.00 0.00 C ATOM 0 H ALA B 88 7.916 9.782 1.138 1.00 0.00 H new ATOM 0 HA ALA B 88 6.416 7.662 2.506 1.00 0.00 H new ATOM 0 HB1 ALA B 88 6.761 6.171 0.561 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.711 7.550 0.155 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.413 7.543 -0.366 1.00 0.00 H new ATOM 2311 N GLU B 89 8.576 6.297 2.751 1.00 0.00 N ATOM 2312 CA GLU B 89 9.842 5.709 3.160 1.00 0.00 C ATOM 2313 C GLU B 89 10.261 4.643 2.154 1.00 0.00 C ATOM 2314 O GLU B 89 9.454 3.798 1.773 1.00 0.00 O ATOM 2315 CB GLU B 89 9.719 5.083 4.552 1.00 0.00 C ATOM 2316 CG GLU B 89 9.273 6.054 5.634 1.00 0.00 C ATOM 2317 CD GLU B 89 9.132 5.387 6.988 1.00 0.00 C ATOM 2318 OE1 GLU B 89 10.129 5.348 7.742 1.00 0.00 O ATOM 2319 OE2 GLU B 89 8.027 4.896 7.304 1.00 0.00 O ATOM 0 H GLU B 89 7.760 5.723 2.962 1.00 0.00 H new ATOM 0 HA GLU B 89 10.597 6.495 3.196 1.00 0.00 H new ATOM 0 HB2 GLU B 89 9.009 4.257 4.505 1.00 0.00 H new ATOM 0 HB3 GLU B 89 10.683 4.659 4.834 1.00 0.00 H new ATOM 0 HG2 GLU B 89 9.994 6.868 5.707 1.00 0.00 H new ATOM 0 HG3 GLU B 89 8.319 6.497 5.349 1.00 0.00 H new ATOM 2326 N VAL B 90 11.508 4.700 1.715 1.00 0.00 N ATOM 2327 CA VAL B 90 12.025 3.745 0.739 1.00 0.00 C ATOM 2328 C VAL B 90 12.641 2.538 1.437 1.00 0.00 C ATOM 2329 O VAL B 90 13.470 2.691 2.336 1.00 0.00 O ATOM 2330 CB VAL B 90 13.089 4.396 -0.170 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.607 3.399 -1.196 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.523 5.629 -0.855 1.00 0.00 C ATOM 0 H VAL B 90 12.186 5.399 2.018 1.00 0.00 H new ATOM 0 HA VAL B 90 11.183 3.422 0.127 1.00 0.00 H new ATOM 0 HB VAL B 90 13.928 4.705 0.453 1.00 0.00 H new ATOM 0 HG11 VAL B 90 14.356 3.880 -1.825 1.00 0.00 H new ATOM 0 HG12 VAL B 90 14.057 2.549 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.780 3.052 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL B 90 13.287 6.075 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.664 5.345 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL B 90 12.211 6.353 -0.102 1.00 0.00 H new ATOM 2342 N TYR B 91 12.242 1.345 1.017 1.00 0.00 N ATOM 2343 CA TYR B 91 12.731 0.123 1.632 1.00 0.00 C ATOM 2344 C TYR B 91 13.357 -0.822 0.613 1.00 0.00 C ATOM 2345 O TYR B 91 12.832 -1.031 -0.484 1.00 0.00 O ATOM 2346 CB TYR B 91 11.608 -0.590 2.385 1.00 0.00 C ATOM 2347 CG TYR B 91 11.218 0.098 3.671 1.00 0.00 C ATOM 2348 CD1 TYR B 91 11.957 -0.101 4.830 1.00 0.00 C ATOM 2349 CD2 TYR B 91 10.124 0.950 3.727 1.00 0.00 C ATOM 2350 CE1 TYR B 91 11.613 0.525 6.010 1.00 0.00 C ATOM 2351 CE2 TYR B 91 9.775 1.580 4.904 1.00 0.00 C ATOM 2352 CZ TYR B 91 10.523 1.365 6.043 1.00 0.00 C ATOM 2353 OH TYR B 91 10.174 1.988 7.218 1.00 0.00 O ATOM 0 H TYR B 91 11.582 1.200 0.253 1.00 0.00 H new ATOM 0 HA TYR B 91 13.509 0.412 2.338 1.00 0.00 H new ATOM 0 HB2 TYR B 91 10.733 -0.658 1.738 1.00 0.00 H new ATOM 0 HB3 TYR B 91 11.920 -1.610 2.608 1.00 0.00 H new ATOM 0 HD1 TYR B 91 12.815 -0.757 4.807 1.00 0.00 H new ATOM 0 HD2 TYR B 91 9.537 1.122 2.837 1.00 0.00 H new ATOM 0 HE1 TYR B 91 12.196 0.357 6.904 1.00 0.00 H new ATOM 0 HE2 TYR B 91 8.920 2.239 4.933 1.00 0.00 H new ATOM 0 HH TYR B 91 9.383 2.547 7.070 1.00 0.00 H new ATOM 2363 N ASN B 92 14.491 -1.379 0.996 1.00 0.00 N ATOM 2364 CA ASN B 92 15.196 -2.365 0.192 1.00 0.00 C ATOM 2365 C ASN B 92 14.970 -3.755 0.785 1.00 0.00 C ATOM 2366 O ASN B 92 14.718 -3.880 1.984 1.00 0.00 O ATOM 2367 CB ASN B 92 16.692 -2.025 0.162 1.00 0.00 C ATOM 2368 CG ASN B 92 17.510 -3.016 -0.640 1.00 0.00 C ATOM 2369 OD1 ASN B 92 17.979 -4.018 -0.109 1.00 0.00 O ATOM 2370 ND2 ASN B 92 17.706 -2.730 -1.917 1.00 0.00 N ATOM 0 H ASN B 92 14.953 -1.160 1.879 1.00 0.00 H new ATOM 0 HA ASN B 92 14.816 -2.354 -0.830 1.00 0.00 H new ATOM 0 HB2 ASN B 92 16.824 -1.029 -0.260 1.00 0.00 H new ATOM 0 HB3 ASN B 92 17.072 -1.992 1.183 1.00 0.00 H new ATOM 0 HD21 ASN B 92 18.265 -3.353 -2.499 1.00 0.00 H new ATOM 0 HD22 ASN B 92 17.298 -1.886 -2.319 1.00 0.00 H new ATOM 2377 N ASP B 93 15.070 -4.795 -0.043 1.00 0.00 N ATOM 2378 CA ASP B 93 14.804 -6.168 0.401 1.00 0.00 C ATOM 2379 C ASP B 93 16.026 -6.753 1.116 1.00 0.00 C ATOM 2380 O ASP B 93 16.436 -7.881 0.850 1.00 0.00 O ATOM 2381 CB ASP B 93 14.420 -7.044 -0.802 1.00 0.00 C ATOM 2382 CG ASP B 93 13.692 -8.322 -0.407 1.00 0.00 C ATOM 2383 OD1 ASP B 93 12.450 -8.281 -0.263 1.00 0.00 O ATOM 2384 OD2 ASP B 93 14.347 -9.378 -0.259 1.00 0.00 O ATOM 0 H ASP B 93 15.333 -4.715 -1.025 1.00 0.00 H new ATOM 0 HA ASP B 93 13.973 -6.150 1.106 1.00 0.00 H new ATOM 0 HB2 ASP B 93 13.787 -6.467 -1.476 1.00 0.00 H new ATOM 0 HB3 ASP B 93 15.322 -7.304 -1.356 1.00 0.00 H new ATOM 2389 N ALA B 94 16.616 -5.951 2.009 1.00 0.00 N ATOM 2390 CA ALA B 94 17.757 -6.356 2.842 1.00 0.00 C ATOM 2391 C ALA B 94 19.054 -6.518 2.043 1.00 0.00 C ATOM 2392 O ALA B 94 20.146 -6.493 2.614 1.00 0.00 O ATOM 2393 CB ALA B 94 17.445 -7.630 3.617 1.00 0.00 C ATOM 0 H ALA B 94 16.312 -4.992 2.177 1.00 0.00 H new ATOM 0 HA ALA B 94 17.921 -5.543 3.549 1.00 0.00 H new ATOM 0 HB1 ALA B 94 18.307 -7.906 4.225 1.00 0.00 H new ATOM 0 HB2 ALA B 94 16.584 -7.461 4.264 1.00 0.00 H new ATOM 0 HB3 ALA B 94 17.221 -8.436 2.918 1.00 0.00 H new