USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=40 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 61 SER OG : rot 84:sc= 1.27 USER MOD Set 1.2: B 72 TYR OH : rot 160:sc= 0.405 USER MOD Set 2.1: B 42 ASN : amide:sc= 0.328 K(o=0.77,f=-0.085) USER MOD Set 2.2: B 44 SER OG : rot -96:sc= 0.444 USER MOD Set 3.1: B 37 LYS NZ :NH3+ 148:sc= 1.14 (180deg=0) USER MOD Set 3.2: B 40 THR OG1 : rot -160:sc= 1.06 USER MOD Set 4.1: B 27 LYS NZ :NH3+ -173:sc= 0.801 (180deg=0.682) USER MOD Set 4.2: B 91 TYR OH : rot 158:sc= -0.0648 USER MOD Set 5.1: A 73 HIS : no HE2:sc= 1.73 K(o=2.7,f=-8.6!) USER MOD Set 5.2: B 26 SER OG : rot -152:sc= 0.982 USER MOD Set 6.1: A 46 SER OG : rot -52:sc= 1.17 USER MOD Set 6.2: A 83 ASN : amide:sc= 1.03 K(o=2.2,f=-0.93) USER MOD Set 7.1: A 42 ASN : amide:sc= 0.676 K(o=1.5,f=-0.35) USER MOD Set 7.2: A 44 SER OG : rot -95:sc= 0.865 USER MOD Set 8.1: A 26 SER OG : rot -66:sc= 0.181 USER MOD Set 8.2: B 24 GLN : amide:sc= -2.03! C(o=-1.9!,f=-5.3!) USER MOD Single : A 24 GLN : amide:sc= 1.14 K(o=1.1,f=-0.2!) USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= 1.22 (180deg=1.06) USER MOD Single : A 28 GLN : amide:sc= -0.638 K(o=-0.64,f=-6.6!) USER MOD Single : A 31 SER OG : rot -86:sc= 1.21 USER MOD Single : A 32 HIS : +bothHN:sc= -1.95! C(o=-1.9!,f=-7!) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 1.34 (180deg=1.15) USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -0.0415 (180deg=-0.354) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.164 K(o=-0.16,f=-0.84) USER MOD Single : A 49 GLN : amide:sc= -0.0472 X(o=-0.047,f=-0.12) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0675) USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 1.29 (180deg=1.26) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.8!) USER MOD Single : A 91 TYR OH : rot -14:sc= 1.24 USER MOD Single : A 92 ASN : amide:sc= 0.0897 K(o=0.09,f=-1.1) USER MOD Single : B 28 GLN : amide:sc= 0.446 K(o=0.45,f=-0.28) USER MOD Single : B 31 SER OG : rot 85:sc= 0.328 USER MOD Single : B 32 HIS : +bothHN:sc= -2.84! C(o=-2.8!,f=-6.6!) USER MOD Single : B 34 LYS NZ :NH3+ 172:sc=-0.00244 (180deg=-0.0666) USER MOD Single : B 45 GLN : amide:sc= -0.446 K(o=-0.45,f=-1.6) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 GLN : amide:sc= -0.0523 X(o=-0.052,f=-0.13) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot -7:sc= 1.18 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.09) USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 TYR OH : rot 180:sc= 0 USER MOD Single : B 73 HIS : no HE2:sc= -1.08! C(o=-1.1!,f=-6.6!) USER MOD Single : B 80 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.2!) USER MOD Single : B 83 ASN :FLIP amide:sc= -0.227 F(o=-0.91,f=-0.23) USER MOD Single : B 92 ASN : amide:sc= 0.945 K(o=0.95,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -5.834 -4.396 -9.826 1.00 0.00 N ATOM 2 CA ALA A 22 -5.975 -4.330 -8.356 1.00 0.00 C ATOM 3 C ALA A 22 -4.996 -3.323 -7.789 1.00 0.00 C ATOM 4 O ALA A 22 -3.779 -3.482 -7.913 1.00 0.00 O ATOM 5 CB ALA A 22 -5.754 -5.697 -7.734 1.00 0.00 C ATOM 0 HA ALA A 22 -6.989 -4.010 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.862 -5.626 -6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.490 -6.399 -8.127 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.751 -6.049 -7.976 1.00 0.00 H new ATOM 13 N GLU A 23 -5.525 -2.281 -7.174 1.00 0.00 N ATOM 14 CA GLU A 23 -4.704 -1.179 -6.719 1.00 0.00 C ATOM 15 C GLU A 23 -4.462 -1.278 -5.219 1.00 0.00 C ATOM 16 O GLU A 23 -5.374 -1.067 -4.422 1.00 0.00 O ATOM 17 CB GLU A 23 -5.383 0.155 -7.049 1.00 0.00 C ATOM 18 CG GLU A 23 -6.182 0.151 -8.350 1.00 0.00 C ATOM 19 CD GLU A 23 -5.370 -0.288 -9.551 1.00 0.00 C ATOM 20 OE1 GLU A 23 -4.494 0.486 -9.988 1.00 0.00 O ATOM 21 OE2 GLU A 23 -5.608 -1.405 -10.063 1.00 0.00 O ATOM 0 H GLU A 23 -6.521 -2.177 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.744 -1.229 -7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.049 0.423 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.621 0.932 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.040 -0.511 -8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.573 1.152 -8.531 1.00 0.00 H new ATOM 28 N GLN A 24 -3.240 -1.614 -4.841 1.00 0.00 N ATOM 29 CA GLN A 24 -2.871 -1.661 -3.436 1.00 0.00 C ATOM 30 C GLN A 24 -2.317 -0.305 -3.022 1.00 0.00 C ATOM 31 O GLN A 24 -1.181 0.037 -3.353 1.00 0.00 O ATOM 32 CB GLN A 24 -1.839 -2.765 -3.185 1.00 0.00 C ATOM 33 CG GLN A 24 -1.652 -3.103 -1.714 1.00 0.00 C ATOM 34 CD GLN A 24 -0.689 -4.255 -1.496 1.00 0.00 C ATOM 35 OE1 GLN A 24 -1.083 -5.419 -1.500 1.00 0.00 O ATOM 36 NE2 GLN A 24 0.577 -3.942 -1.282 1.00 0.00 N ATOM 0 H GLN A 24 -2.488 -1.858 -5.486 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.753 -1.889 -2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.145 -3.664 -3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.881 -2.456 -3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.284 -2.223 -1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.618 -3.355 -1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.868 -2.965 -1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.263 -4.678 -1.113 1.00 0.00 H new ATOM 45 N VAL A 25 -3.132 0.470 -2.326 1.00 0.00 N ATOM 46 CA VAL A 25 -2.777 1.845 -1.985 1.00 0.00 C ATOM 47 C VAL A 25 -2.844 2.076 -0.482 1.00 0.00 C ATOM 48 O VAL A 25 -3.259 1.193 0.274 1.00 0.00 O ATOM 49 CB VAL A 25 -3.702 2.862 -2.695 1.00 0.00 C ATOM 50 CG1 VAL A 25 -3.524 2.793 -4.204 1.00 0.00 C ATOM 51 CG2 VAL A 25 -5.159 2.624 -2.318 1.00 0.00 C ATOM 0 H VAL A 25 -4.046 0.174 -1.984 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.753 1.998 -2.326 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.421 3.861 -2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.184 3.517 -4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.489 3.022 -4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.771 1.791 -4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.790 3.351 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.452 1.617 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.279 2.734 -1.240 1.00 0.00 H new ATOM 61 N SER A 26 -2.443 3.262 -0.050 1.00 0.00 N ATOM 62 CA SER A 26 -2.475 3.606 1.359 1.00 0.00 C ATOM 63 C SER A 26 -3.828 4.203 1.728 1.00 0.00 C ATOM 64 O SER A 26 -4.513 4.791 0.888 1.00 0.00 O ATOM 65 CB SER A 26 -1.355 4.593 1.694 1.00 0.00 C ATOM 66 OG SER A 26 -1.488 5.791 0.950 1.00 0.00 O ATOM 0 H SER A 26 -2.091 4.002 -0.658 1.00 0.00 H new ATOM 0 HA SER A 26 -2.323 2.696 1.940 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.374 4.820 2.760 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.388 4.136 1.482 1.00 0.00 H new ATOM 0 HG SER A 26 -1.356 5.601 -0.002 1.00 0.00 H new ATOM 72 N LYS A 27 -4.211 4.068 2.992 1.00 0.00 N ATOM 73 CA LYS A 27 -5.480 4.611 3.456 1.00 0.00 C ATOM 74 C LYS A 27 -5.403 6.135 3.498 1.00 0.00 C ATOM 75 O LYS A 27 -6.422 6.823 3.560 1.00 0.00 O ATOM 76 CB LYS A 27 -5.840 4.035 4.829 1.00 0.00 C ATOM 77 CG LYS A 27 -7.273 4.320 5.255 1.00 0.00 C ATOM 78 CD LYS A 27 -7.734 3.351 6.331 1.00 0.00 C ATOM 79 CE LYS A 27 -9.198 3.560 6.679 1.00 0.00 C ATOM 80 NZ LYS A 27 -9.754 2.411 7.442 1.00 0.00 N ATOM 0 H LYS A 27 -3.665 3.591 3.709 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.269 4.324 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.683 2.957 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.160 4.446 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.347 5.342 5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.933 4.247 4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.583 2.327 5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.124 3.482 7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.305 4.472 7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.773 3.701 5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.530 2.741 8.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.115 1.696 6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.007 1.991 8.031 1.00 0.00 H new ATOM 94 N GLN A 28 -4.178 6.649 3.448 1.00 0.00 N ATOM 95 CA GLN A 28 -3.938 8.080 3.343 1.00 0.00 C ATOM 96 C GLN A 28 -4.466 8.598 2.008 1.00 0.00 C ATOM 97 O GLN A 28 -5.055 9.675 1.940 1.00 0.00 O ATOM 98 CB GLN A 28 -2.439 8.389 3.472 1.00 0.00 C ATOM 99 CG GLN A 28 -1.884 8.270 4.891 1.00 0.00 C ATOM 100 CD GLN A 28 -1.940 6.859 5.456 1.00 0.00 C ATOM 101 OE1 GLN A 28 -1.861 5.868 4.725 1.00 0.00 O ATOM 102 NE2 GLN A 28 -2.079 6.759 6.769 1.00 0.00 N ATOM 0 H GLN A 28 -3.328 6.086 3.479 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.464 8.581 4.156 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.885 7.712 2.821 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.257 9.401 3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.849 8.613 4.896 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.444 8.937 5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.141 7.601 7.341 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.124 5.840 7.209 1.00 0.00 H new ATOM 111 N GLU A 29 -4.265 7.811 0.954 1.00 0.00 N ATOM 112 CA GLU A 29 -4.791 8.142 -0.365 1.00 0.00 C ATOM 113 C GLU A 29 -6.308 8.000 -0.361 1.00 0.00 C ATOM 114 O GLU A 29 -7.037 8.894 -0.800 1.00 0.00 O ATOM 115 CB GLU A 29 -4.190 7.211 -1.422 1.00 0.00 C ATOM 116 CG GLU A 29 -2.680 7.310 -1.542 1.00 0.00 C ATOM 117 CD GLU A 29 -2.084 6.170 -2.349 1.00 0.00 C ATOM 118 OE1 GLU A 29 -2.178 6.203 -3.593 1.00 0.00 O ATOM 119 OE2 GLU A 29 -1.528 5.230 -1.728 1.00 0.00 O ATOM 0 H GLU A 29 -3.740 6.937 0.989 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.522 9.171 -0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.459 6.182 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.637 7.439 -2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.418 8.258 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.239 7.314 -0.545 1.00 0.00 H new ATOM 126 N ILE A 30 -6.763 6.873 0.173 1.00 0.00 N ATOM 127 CA ILE A 30 -8.183 6.539 0.236 1.00 0.00 C ATOM 128 C ILE A 30 -9.006 7.645 0.901 1.00 0.00 C ATOM 129 O ILE A 30 -10.064 8.029 0.401 1.00 0.00 O ATOM 130 CB ILE A 30 -8.393 5.217 1.006 1.00 0.00 C ATOM 131 CG1 ILE A 30 -7.635 4.078 0.316 1.00 0.00 C ATOM 132 CG2 ILE A 30 -9.876 4.888 1.116 1.00 0.00 C ATOM 133 CD1 ILE A 30 -7.652 2.780 1.092 1.00 0.00 C ATOM 0 H ILE A 30 -6.155 6.161 0.577 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.528 6.429 -0.792 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.998 5.336 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.070 3.908 -0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.601 4.384 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.002 3.953 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.388 5.690 1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.301 4.785 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.096 2.020 0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.190 2.933 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.682 2.450 1.226 1.00 0.00 H new ATOM 145 N SER A 31 -8.512 8.163 2.017 1.00 0.00 N ATOM 146 CA SER A 31 -9.241 9.175 2.769 1.00 0.00 C ATOM 147 C SER A 31 -9.032 10.570 2.181 1.00 0.00 C ATOM 148 O SER A 31 -9.843 11.472 2.394 1.00 0.00 O ATOM 149 CB SER A 31 -8.823 9.142 4.243 1.00 0.00 C ATOM 150 OG SER A 31 -7.413 9.197 4.379 1.00 0.00 O ATOM 0 H SER A 31 -7.613 7.900 2.421 1.00 0.00 H new ATOM 0 HA SER A 31 -10.304 8.946 2.698 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.275 9.982 4.770 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.201 8.232 4.710 1.00 0.00 H new ATOM 0 HG SER A 31 -7.043 8.291 4.323 1.00 0.00 H new ATOM 156 N HIS A 32 -7.954 10.749 1.427 1.00 0.00 N ATOM 157 CA HIS A 32 -7.658 12.048 0.835 1.00 0.00 C ATOM 158 C HIS A 32 -8.538 12.284 -0.390 1.00 0.00 C ATOM 159 O HIS A 32 -9.063 13.382 -0.585 1.00 0.00 O ATOM 160 CB HIS A 32 -6.175 12.144 0.447 1.00 0.00 C ATOM 161 CG HIS A 32 -5.692 13.549 0.217 1.00 0.00 C ATOM 162 ND1 HIS A 32 -4.621 14.094 0.894 1.00 0.00 N ATOM 163 CD2 HIS A 32 -6.133 14.521 -0.620 1.00 0.00 C ATOM 164 CE1 HIS A 32 -4.430 15.333 0.487 1.00 0.00 C ATOM 165 NE2 HIS A 32 -5.331 15.619 -0.433 1.00 0.00 N ATOM 0 H HIS A 32 -7.276 10.018 1.212 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.871 12.818 1.577 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.574 11.689 1.234 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.009 11.561 -0.459 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -4.063 13.613 1.600 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.963 14.445 -1.307 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.663 16.003 0.847 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.417 16.509 -0.924 1.00 0.00 H new ATOM 174 N PHE A 33 -8.703 11.252 -1.206 1.00 0.00 N ATOM 175 CA PHE A 33 -9.465 11.375 -2.445 1.00 0.00 C ATOM 176 C PHE A 33 -10.913 10.924 -2.260 1.00 0.00 C ATOM 177 O PHE A 33 -11.757 11.189 -3.112 1.00 0.00 O ATOM 178 CB PHE A 33 -8.797 10.565 -3.561 1.00 0.00 C ATOM 179 CG PHE A 33 -7.423 11.059 -3.925 1.00 0.00 C ATOM 180 CD1 PHE A 33 -7.265 12.112 -4.812 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.292 10.472 -3.381 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.004 12.570 -5.148 1.00 0.00 C ATOM 183 CE2 PHE A 33 -5.029 10.925 -3.713 1.00 0.00 C ATOM 184 CZ PHE A 33 -4.886 11.975 -4.597 1.00 0.00 C ATOM 0 H PHE A 33 -8.321 10.322 -1.035 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.477 12.428 -2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.729 9.522 -3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.431 10.593 -4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.136 12.580 -5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.399 9.650 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.894 13.392 -5.840 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.156 10.458 -3.281 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.900 12.331 -4.858 1.00 0.00 H new ATOM 194 N LYS A 34 -11.181 10.261 -1.134 1.00 0.00 N ATOM 195 CA LYS A 34 -12.515 9.747 -0.803 1.00 0.00 C ATOM 196 C LYS A 34 -12.930 8.604 -1.727 1.00 0.00 C ATOM 197 O LYS A 34 -13.521 8.819 -2.786 1.00 0.00 O ATOM 198 CB LYS A 34 -13.585 10.851 -0.815 1.00 0.00 C ATOM 199 CG LYS A 34 -13.673 11.645 0.481 1.00 0.00 C ATOM 200 CD LYS A 34 -12.489 12.576 0.672 1.00 0.00 C ATOM 201 CE LYS A 34 -12.518 13.729 -0.317 1.00 0.00 C ATOM 202 NZ LYS A 34 -11.420 14.698 -0.064 1.00 0.00 N ATOM 0 H LYS A 34 -10.478 10.064 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.444 9.359 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.375 11.537 -1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.556 10.399 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.594 12.228 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.729 10.955 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.494 12.968 1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.562 12.016 0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.434 13.340 -1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.478 14.241 -0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.431 15.434 -0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.553 15.138 0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.507 14.201 -0.085 1.00 0.00 H new ATOM 216 N LEU A 35 -12.600 7.390 -1.318 1.00 0.00 N ATOM 217 CA LEU A 35 -13.005 6.199 -2.049 1.00 0.00 C ATOM 218 C LEU A 35 -14.150 5.502 -1.318 1.00 0.00 C ATOM 219 O LEU A 35 -14.339 5.707 -0.117 1.00 0.00 O ATOM 220 CB LEU A 35 -11.818 5.248 -2.214 1.00 0.00 C ATOM 221 CG LEU A 35 -10.624 5.833 -2.975 1.00 0.00 C ATOM 222 CD1 LEU A 35 -9.452 4.868 -2.956 1.00 0.00 C ATOM 223 CD2 LEU A 35 -11.018 6.164 -4.407 1.00 0.00 C ATOM 0 H LEU A 35 -12.050 7.202 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.350 6.493 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.482 4.935 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.158 4.352 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.317 6.753 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.614 5.302 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.154 4.678 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.745 3.930 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.159 6.579 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.350 5.257 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.828 6.894 -4.402 1.00 0.00 H new ATOM 235 N VAL A 36 -14.909 4.683 -2.036 1.00 0.00 N ATOM 236 CA VAL A 36 -16.070 4.017 -1.456 1.00 0.00 C ATOM 237 C VAL A 36 -15.706 2.627 -0.948 1.00 0.00 C ATOM 238 O VAL A 36 -15.220 1.788 -1.705 1.00 0.00 O ATOM 239 CB VAL A 36 -17.226 3.904 -2.473 1.00 0.00 C ATOM 240 CG1 VAL A 36 -18.408 3.156 -1.873 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.655 5.284 -2.943 1.00 0.00 C ATOM 0 H VAL A 36 -14.743 4.464 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.401 4.630 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.868 3.338 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.209 3.090 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.095 2.152 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.767 3.689 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.471 5.187 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.991 5.871 -2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.812 5.785 -3.419 1.00 0.00 H new ATOM 251 N LYS A 37 -15.936 2.398 0.336 1.00 0.00 N ATOM 252 CA LYS A 37 -15.665 1.106 0.947 1.00 0.00 C ATOM 253 C LYS A 37 -16.712 0.078 0.531 1.00 0.00 C ATOM 254 O LYS A 37 -17.913 0.276 0.729 1.00 0.00 O ATOM 255 CB LYS A 37 -15.630 1.243 2.472 1.00 0.00 C ATOM 256 CG LYS A 37 -15.511 -0.082 3.207 1.00 0.00 C ATOM 257 CD LYS A 37 -15.416 0.123 4.709 1.00 0.00 C ATOM 258 CE LYS A 37 -15.646 -1.174 5.467 1.00 0.00 C ATOM 259 NZ LYS A 37 -17.045 -1.655 5.324 1.00 0.00 N ATOM 0 H LYS A 37 -16.312 3.095 0.978 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.692 0.758 0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.789 1.879 2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.536 1.750 2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.375 -0.706 2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.629 -0.617 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.434 0.523 4.961 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.152 0.864 5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.960 -1.937 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.419 -1.024 6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.264 -2.320 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.697 -0.846 5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.155 -2.136 4.409 1.00 0.00 H new ATOM 273 N VAL A 38 -16.248 -1.019 -0.050 1.00 0.00 N ATOM 274 CA VAL A 38 -17.129 -2.097 -0.473 1.00 0.00 C ATOM 275 C VAL A 38 -17.238 -3.150 0.624 1.00 0.00 C ATOM 276 O VAL A 38 -18.328 -3.636 0.937 1.00 0.00 O ATOM 277 CB VAL A 38 -16.621 -2.768 -1.769 1.00 0.00 C ATOM 278 CG1 VAL A 38 -17.588 -3.848 -2.237 1.00 0.00 C ATOM 279 CG2 VAL A 38 -16.405 -1.732 -2.859 1.00 0.00 C ATOM 0 H VAL A 38 -15.260 -1.186 -0.240 1.00 0.00 H new ATOM 0 HA VAL A 38 -18.109 -1.661 -0.668 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.664 -3.242 -1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.208 -4.305 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.685 -4.610 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -18.564 -3.403 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.047 -2.224 -3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.346 -1.224 -3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.666 -1.003 -2.527 1.00 0.00 H new ATOM 289 N GLY A 39 -16.101 -3.485 1.215 1.00 0.00 N ATOM 290 CA GLY A 39 -16.074 -4.495 2.247 1.00 0.00 C ATOM 291 C GLY A 39 -14.692 -4.667 2.831 1.00 0.00 C ATOM 292 O GLY A 39 -13.768 -3.932 2.481 1.00 0.00 O ATOM 0 H GLY A 39 -15.194 -3.072 0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.772 -4.223 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.415 -5.445 1.834 1.00 0.00 H new ATOM 296 N THR A 40 -14.554 -5.632 3.720 1.00 0.00 N ATOM 297 CA THR A 40 -13.276 -5.923 4.345 1.00 0.00 C ATOM 298 C THR A 40 -12.948 -7.404 4.178 1.00 0.00 C ATOM 299 O THR A 40 -13.779 -8.268 4.467 1.00 0.00 O ATOM 300 CB THR A 40 -13.307 -5.561 5.844 1.00 0.00 C ATOM 301 OG1 THR A 40 -13.873 -4.254 6.019 1.00 0.00 O ATOM 302 CG2 THR A 40 -11.909 -5.591 6.447 1.00 0.00 C ATOM 0 H THR A 40 -15.318 -6.233 4.028 1.00 0.00 H new ATOM 0 HA THR A 40 -12.507 -5.322 3.860 1.00 0.00 H new ATOM 0 HB THR A 40 -13.921 -6.302 6.356 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.892 -4.031 6.973 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.963 -5.332 7.504 1.00 0.00 H new ATOM 0 HG22 THR A 40 -11.488 -6.591 6.340 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.274 -4.872 5.929 1.00 0.00 H new ATOM 310 N ILE A 41 -11.747 -7.695 3.702 1.00 0.00 N ATOM 311 CA ILE A 41 -11.338 -9.072 3.456 1.00 0.00 C ATOM 312 C ILE A 41 -10.268 -9.504 4.446 1.00 0.00 C ATOM 313 O ILE A 41 -9.551 -8.673 5.001 1.00 0.00 O ATOM 314 CB ILE A 41 -10.796 -9.271 2.023 1.00 0.00 C ATOM 315 CG1 ILE A 41 -9.639 -8.305 1.738 1.00 0.00 C ATOM 316 CG2 ILE A 41 -11.908 -9.093 1.004 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.017 -8.481 0.369 1.00 0.00 C ATOM 0 H ILE A 41 -11.038 -6.997 3.478 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.230 -9.685 3.580 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.414 -10.289 1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.001 -7.281 1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.869 -8.442 2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.508 -9.237 0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -12.693 -9.826 1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.322 -8.088 1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.207 -7.763 0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.623 -9.493 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.773 -8.314 -0.398 1.00 0.00 H new ATOM 329 N ASN A 42 -10.167 -10.803 4.669 1.00 0.00 N ATOM 330 CA ASN A 42 -9.116 -11.342 5.513 1.00 0.00 C ATOM 331 C ASN A 42 -8.673 -12.698 4.987 1.00 0.00 C ATOM 332 O ASN A 42 -9.496 -13.568 4.679 1.00 0.00 O ATOM 333 CB ASN A 42 -9.566 -11.447 6.981 1.00 0.00 C ATOM 334 CG ASN A 42 -10.456 -12.646 7.263 1.00 0.00 C ATOM 335 OD1 ASN A 42 -9.973 -13.728 7.610 1.00 0.00 O ATOM 336 ND2 ASN A 42 -11.762 -12.468 7.129 1.00 0.00 N ATOM 0 H ASN A 42 -10.799 -11.502 4.278 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.270 -10.655 5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.684 -11.502 7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.100 -10.537 7.254 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.403 -13.239 7.314 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.126 -11.560 6.840 1.00 0.00 H new ATOM 343 N VAL A 43 -7.372 -12.853 4.834 1.00 0.00 N ATOM 344 CA VAL A 43 -6.812 -14.131 4.436 1.00 0.00 C ATOM 345 C VAL A 43 -6.194 -14.810 5.646 1.00 0.00 C ATOM 346 O VAL A 43 -5.101 -14.457 6.079 1.00 0.00 O ATOM 347 CB VAL A 43 -5.743 -13.968 3.330 1.00 0.00 C ATOM 348 CG1 VAL A 43 -5.181 -15.323 2.920 1.00 0.00 C ATOM 349 CG2 VAL A 43 -6.328 -13.253 2.124 1.00 0.00 C ATOM 0 H VAL A 43 -6.685 -12.113 4.978 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.619 -14.742 4.033 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.929 -13.364 3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.431 -15.185 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.723 -15.803 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.987 -15.951 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.561 -13.147 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.162 -13.832 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.681 -12.266 2.422 1.00 0.00 H new ATOM 359 N SER A 44 -6.920 -15.766 6.197 1.00 0.00 N ATOM 360 CA SER A 44 -6.459 -16.510 7.354 1.00 0.00 C ATOM 361 C SER A 44 -6.215 -17.970 6.983 1.00 0.00 C ATOM 362 O SER A 44 -7.151 -18.765 6.885 1.00 0.00 O ATOM 363 CB SER A 44 -7.482 -16.386 8.485 1.00 0.00 C ATOM 364 OG SER A 44 -8.803 -16.303 7.967 1.00 0.00 O ATOM 0 H SER A 44 -7.840 -16.047 5.857 1.00 0.00 H new ATOM 0 HA SER A 44 -5.512 -16.094 7.699 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.401 -17.246 9.150 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.265 -15.500 9.082 1.00 0.00 H new ATOM 0 HG SER A 44 -9.064 -15.362 7.886 1.00 0.00 H new ATOM 370 N GLN A 45 -4.953 -18.309 6.756 1.00 0.00 N ATOM 371 CA GLN A 45 -4.589 -19.646 6.308 1.00 0.00 C ATOM 372 C GLN A 45 -3.514 -20.256 7.197 1.00 0.00 C ATOM 373 O GLN A 45 -2.683 -19.545 7.765 1.00 0.00 O ATOM 374 CB GLN A 45 -4.105 -19.612 4.857 1.00 0.00 C ATOM 375 CG GLN A 45 -5.216 -19.376 3.845 1.00 0.00 C ATOM 376 CD GLN A 45 -6.259 -20.479 3.859 1.00 0.00 C ATOM 377 OE1 GLN A 45 -5.962 -21.628 4.186 1.00 0.00 O ATOM 378 NE2 GLN A 45 -7.486 -20.142 3.495 1.00 0.00 N ATOM 0 H GLN A 45 -4.163 -17.675 6.875 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.481 -20.269 6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.357 -18.826 4.752 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.611 -20.556 4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.698 -18.422 4.056 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.784 -19.301 2.847 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.693 -19.179 3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.224 -20.845 3.479 1.00 0.00 H new ATOM 387 N SER A 46 -3.532 -21.578 7.290 1.00 0.00 N ATOM 388 CA SER A 46 -2.595 -22.324 8.120 1.00 0.00 C ATOM 389 C SER A 46 -1.272 -22.568 7.388 1.00 0.00 C ATOM 390 O SER A 46 -0.750 -23.685 7.383 1.00 0.00 O ATOM 391 CB SER A 46 -3.233 -23.658 8.503 1.00 0.00 C ATOM 392 OG SER A 46 -4.494 -23.454 9.124 1.00 0.00 O ATOM 0 H SER A 46 -4.199 -22.166 6.790 1.00 0.00 H new ATOM 0 HA SER A 46 -2.374 -21.740 9.014 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.356 -24.276 7.614 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.573 -24.201 9.179 1.00 0.00 H new ATOM 0 HG SER A 46 -4.396 -22.817 9.863 1.00 0.00 H new ATOM 398 N GLY A 47 -0.734 -21.519 6.777 1.00 0.00 N ATOM 399 CA GLY A 47 0.506 -21.647 6.035 1.00 0.00 C ATOM 400 C GLY A 47 0.315 -22.373 4.716 1.00 0.00 C ATOM 401 O GLY A 47 -0.813 -22.728 4.356 1.00 0.00 O ATOM 0 H GLY A 47 -1.135 -20.581 6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.917 -20.656 5.845 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.236 -22.184 6.641 1.00 0.00 H new ATOM 405 N GLY A 48 1.409 -22.588 3.991 1.00 0.00 N ATOM 406 CA GLY A 48 1.346 -23.287 2.715 1.00 0.00 C ATOM 407 C GLY A 48 0.771 -22.434 1.598 1.00 0.00 C ATOM 408 O GLY A 48 1.411 -22.235 0.566 1.00 0.00 O ATOM 0 H GLY A 48 2.345 -22.289 4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.348 -23.613 2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.738 -24.185 2.829 1.00 0.00 H new ATOM 412 N GLN A 49 -0.445 -21.940 1.811 1.00 0.00 N ATOM 413 CA GLN A 49 -1.142 -21.117 0.831 1.00 0.00 C ATOM 414 C GLN A 49 -0.350 -19.851 0.522 1.00 0.00 C ATOM 415 O GLN A 49 -0.222 -19.453 -0.634 1.00 0.00 O ATOM 416 CB GLN A 49 -2.537 -20.755 1.351 1.00 0.00 C ATOM 417 CG GLN A 49 -3.436 -21.961 1.580 1.00 0.00 C ATOM 418 CD GLN A 49 -3.782 -22.676 0.289 1.00 0.00 C ATOM 419 OE1 GLN A 49 -3.066 -23.578 -0.148 1.00 0.00 O ATOM 420 NE2 GLN A 49 -4.883 -22.280 -0.330 1.00 0.00 N ATOM 0 H GLN A 49 -0.974 -22.100 2.668 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.241 -21.689 -0.092 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.435 -20.206 2.287 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.018 -20.084 0.639 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.940 -22.657 2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.354 -21.639 2.071 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.448 -21.529 0.066 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.166 -22.726 -1.203 1.00 0.00 H new ATOM 429 N ILE A 50 0.181 -19.226 1.564 1.00 0.00 N ATOM 430 CA ILE A 50 1.000 -18.037 1.404 1.00 0.00 C ATOM 431 C ILE A 50 2.419 -18.323 1.878 1.00 0.00 C ATOM 432 O ILE A 50 2.660 -18.488 3.074 1.00 0.00 O ATOM 433 CB ILE A 50 0.436 -16.815 2.182 1.00 0.00 C ATOM 434 CG1 ILE A 50 -0.934 -16.386 1.639 1.00 0.00 C ATOM 435 CG2 ILE A 50 1.408 -15.645 2.121 1.00 0.00 C ATOM 436 CD1 ILE A 50 -2.090 -17.229 2.133 1.00 0.00 C ATOM 0 H ILE A 50 0.057 -19.525 2.531 1.00 0.00 H new ATOM 0 HA ILE A 50 0.994 -17.784 0.344 1.00 0.00 H new ATOM 0 HB ILE A 50 0.310 -17.119 3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.113 -15.347 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.909 -16.426 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.995 -14.800 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.359 -15.938 2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.567 -15.358 1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.020 -16.859 1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.938 -18.266 1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.145 -17.170 3.220 1.00 0.00 H new ATOM 448 N SER A 51 3.345 -18.420 0.937 1.00 0.00 N ATOM 449 CA SER A 51 4.741 -18.643 1.272 1.00 0.00 C ATOM 450 C SER A 51 5.539 -17.354 1.101 1.00 0.00 C ATOM 451 O SER A 51 6.553 -17.140 1.765 1.00 0.00 O ATOM 452 CB SER A 51 5.320 -19.750 0.392 1.00 0.00 C ATOM 453 OG SER A 51 4.510 -20.915 0.437 1.00 0.00 O ATOM 0 H SER A 51 3.155 -18.348 -0.063 1.00 0.00 H new ATOM 0 HA SER A 51 4.808 -18.954 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.399 -19.398 -0.636 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.330 -19.992 0.724 1.00 0.00 H new ATOM 0 HG SER A 51 4.901 -21.608 -0.136 1.00 0.00 H new ATOM 459 N SER A 52 5.077 -16.504 0.194 1.00 0.00 N ATOM 460 CA SER A 52 5.699 -15.215 -0.044 1.00 0.00 C ATOM 461 C SER A 52 4.623 -14.131 -0.147 1.00 0.00 C ATOM 462 O SER A 52 3.444 -14.446 -0.329 1.00 0.00 O ATOM 463 CB SER A 52 6.524 -15.276 -1.334 1.00 0.00 C ATOM 464 OG SER A 52 7.412 -16.381 -1.316 1.00 0.00 O ATOM 0 H SER A 52 4.264 -16.690 -0.393 1.00 0.00 H new ATOM 0 HA SER A 52 6.361 -14.970 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.858 -15.354 -2.193 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.090 -14.352 -1.452 1.00 0.00 H new ATOM 0 HG SER A 52 7.927 -16.401 -2.150 1.00 0.00 H new ATOM 470 N PRO A 53 5.001 -12.843 -0.024 1.00 0.00 N ATOM 471 CA PRO A 53 4.060 -11.725 -0.184 1.00 0.00 C ATOM 472 C PRO A 53 3.341 -11.766 -1.530 1.00 0.00 C ATOM 473 O PRO A 53 2.236 -11.241 -1.675 1.00 0.00 O ATOM 474 CB PRO A 53 4.952 -10.484 -0.096 1.00 0.00 C ATOM 475 CG PRO A 53 6.144 -10.928 0.676 1.00 0.00 C ATOM 476 CD PRO A 53 6.359 -12.371 0.309 1.00 0.00 C ATOM 0 HA PRO A 53 3.271 -11.749 0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.233 -10.127 -1.087 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.439 -9.663 0.405 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.018 -10.327 0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.978 -10.818 1.748 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.039 -12.474 -0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.790 -12.936 1.135 1.00 0.00 H new ATOM 484 N SER A 54 3.981 -12.395 -2.509 1.00 0.00 N ATOM 485 CA SER A 54 3.396 -12.578 -3.828 1.00 0.00 C ATOM 486 C SER A 54 2.122 -13.417 -3.737 1.00 0.00 C ATOM 487 O SER A 54 1.103 -13.082 -4.343 1.00 0.00 O ATOM 488 CB SER A 54 4.416 -13.247 -4.747 1.00 0.00 C ATOM 489 OG SER A 54 5.672 -12.592 -4.651 1.00 0.00 O ATOM 0 H SER A 54 4.916 -12.790 -2.410 1.00 0.00 H new ATOM 0 HA SER A 54 3.129 -11.605 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.525 -14.297 -4.477 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.061 -13.218 -5.777 1.00 0.00 H new ATOM 0 HG SER A 54 6.317 -13.032 -5.244 1.00 0.00 H new ATOM 495 N ASP A 55 2.184 -14.493 -2.952 1.00 0.00 N ATOM 496 CA ASP A 55 1.028 -15.360 -2.739 1.00 0.00 C ATOM 497 C ASP A 55 -0.075 -14.585 -2.042 1.00 0.00 C ATOM 498 O ASP A 55 -1.243 -14.668 -2.413 1.00 0.00 O ATOM 499 CB ASP A 55 1.396 -16.573 -1.875 1.00 0.00 C ATOM 500 CG ASP A 55 2.531 -17.394 -2.443 1.00 0.00 C ATOM 501 OD1 ASP A 55 2.267 -18.327 -3.229 1.00 0.00 O ATOM 502 OD2 ASP A 55 3.698 -17.114 -2.104 1.00 0.00 O ATOM 0 H ASP A 55 3.025 -14.784 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 55 0.689 -15.709 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.670 -16.229 -0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.518 -17.209 -1.763 1.00 0.00 H new ATOM 507 N LEU A 56 0.323 -13.821 -1.033 1.00 0.00 N ATOM 508 CA LEU A 56 -0.613 -13.053 -0.223 1.00 0.00 C ATOM 509 C LEU A 56 -1.430 -12.089 -1.076 1.00 0.00 C ATOM 510 O LEU A 56 -2.659 -12.074 -1.000 1.00 0.00 O ATOM 511 CB LEU A 56 0.138 -12.280 0.862 1.00 0.00 C ATOM 512 CG LEU A 56 -0.750 -11.485 1.817 1.00 0.00 C ATOM 513 CD1 LEU A 56 -1.705 -12.415 2.548 1.00 0.00 C ATOM 514 CD2 LEU A 56 0.099 -10.699 2.801 1.00 0.00 C ATOM 0 H LEU A 56 1.299 -13.717 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.302 -13.756 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.733 -12.984 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.836 -11.594 0.382 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.341 -10.776 1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.331 -11.834 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.335 -12.932 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.134 -13.147 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.549 -10.138 3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.715 -11.387 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.741 -10.007 2.256 1.00 0.00 H new ATOM 526 N ARG A 57 -0.749 -11.296 -1.894 1.00 0.00 N ATOM 527 CA ARG A 57 -1.429 -10.310 -2.726 1.00 0.00 C ATOM 528 C ARG A 57 -2.315 -10.985 -3.764 1.00 0.00 C ATOM 529 O ARG A 57 -3.347 -10.437 -4.154 1.00 0.00 O ATOM 530 CB ARG A 57 -0.428 -9.383 -3.410 1.00 0.00 C ATOM 531 CG ARG A 57 0.334 -8.498 -2.439 1.00 0.00 C ATOM 532 CD ARG A 57 1.027 -7.349 -3.152 1.00 0.00 C ATOM 533 NE ARG A 57 2.027 -7.806 -4.115 1.00 0.00 N ATOM 534 CZ ARG A 57 2.499 -7.047 -5.106 1.00 0.00 C ATOM 535 NH1 ARG A 57 2.014 -5.829 -5.305 1.00 0.00 N ATOM 536 NH2 ARG A 57 3.440 -7.511 -5.918 1.00 0.00 N ATOM 0 H ARG A 57 0.265 -11.315 -1.999 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.061 -9.711 -2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.283 -9.983 -3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.957 -8.754 -4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.353 -8.101 -1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.074 -9.095 -1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.281 -6.744 -3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.506 -6.705 -2.415 1.00 0.00 H new ATOM 0 HE ARG A 57 2.384 -8.757 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.277 -5.468 -4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.378 -5.253 -6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.807 -8.453 -5.787 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.796 -6.925 -6.673 1.00 0.00 H new ATOM 550 N GLU A 58 -1.919 -12.177 -4.196 1.00 0.00 N ATOM 551 CA GLU A 58 -2.713 -12.951 -5.140 1.00 0.00 C ATOM 552 C GLU A 58 -4.058 -13.320 -4.515 1.00 0.00 C ATOM 553 O GLU A 58 -5.101 -13.263 -5.172 1.00 0.00 O ATOM 554 CB GLU A 58 -1.954 -14.213 -5.565 1.00 0.00 C ATOM 555 CG GLU A 58 -2.690 -15.059 -6.590 1.00 0.00 C ATOM 556 CD GLU A 58 -1.894 -16.272 -7.019 1.00 0.00 C ATOM 557 OE1 GLU A 58 -1.881 -17.278 -6.277 1.00 0.00 O ATOM 558 OE2 GLU A 58 -1.277 -16.230 -8.102 1.00 0.00 O ATOM 0 H GLU A 58 -1.051 -12.628 -3.906 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.895 -12.344 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.987 -13.922 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.756 -14.821 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.643 -15.383 -6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.916 -14.449 -7.465 1.00 0.00 H new ATOM 565 N LYS A 59 -4.028 -13.681 -3.236 1.00 0.00 N ATOM 566 CA LYS A 59 -5.249 -14.008 -2.505 1.00 0.00 C ATOM 567 C LYS A 59 -6.101 -12.756 -2.326 1.00 0.00 C ATOM 568 O LYS A 59 -7.306 -12.765 -2.580 1.00 0.00 O ATOM 569 CB LYS A 59 -4.921 -14.596 -1.126 1.00 0.00 C ATOM 570 CG LYS A 59 -3.850 -15.676 -1.145 1.00 0.00 C ATOM 571 CD LYS A 59 -4.243 -16.860 -2.009 1.00 0.00 C ATOM 572 CE LYS A 59 -5.377 -17.661 -1.396 1.00 0.00 C ATOM 573 NZ LYS A 59 -5.734 -18.836 -2.233 1.00 0.00 N ATOM 0 H LYS A 59 -3.173 -13.755 -2.684 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.800 -14.750 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.596 -13.790 -0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.832 -15.011 -0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.916 -15.253 -1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.663 -16.018 -0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.542 -16.505 -2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.378 -17.507 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.088 -17.998 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.251 -17.021 -1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.512 -19.359 -1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.033 -18.513 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.907 -19.459 -2.327 1.00 0.00 H new ATOM 587 N LEU A 60 -5.449 -11.678 -1.899 1.00 0.00 N ATOM 588 CA LEU A 60 -6.120 -10.409 -1.641 1.00 0.00 C ATOM 589 C LEU A 60 -6.795 -9.868 -2.897 1.00 0.00 C ATOM 590 O LEU A 60 -7.952 -9.446 -2.855 1.00 0.00 O ATOM 591 CB LEU A 60 -5.115 -9.382 -1.115 1.00 0.00 C ATOM 592 CG LEU A 60 -4.450 -9.746 0.215 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.331 -8.771 0.533 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.475 -9.764 1.340 1.00 0.00 C ATOM 0 H LEU A 60 -4.444 -11.660 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.890 -10.587 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.337 -9.240 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.624 -8.425 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.024 -10.745 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.869 -9.044 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.582 -8.806 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.737 -7.762 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.983 -10.025 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.931 -8.778 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.246 -10.502 1.118 1.00 0.00 H new ATOM 606 N SER A 61 -6.069 -9.889 -4.009 1.00 0.00 N ATOM 607 CA SER A 61 -6.587 -9.384 -5.273 1.00 0.00 C ATOM 608 C SER A 61 -7.840 -10.147 -5.689 1.00 0.00 C ATOM 609 O SER A 61 -8.847 -9.544 -6.064 1.00 0.00 O ATOM 610 CB SER A 61 -5.513 -9.489 -6.362 1.00 0.00 C ATOM 611 OG SER A 61 -5.964 -8.936 -7.585 1.00 0.00 O ATOM 0 H SER A 61 -5.117 -10.252 -4.060 1.00 0.00 H new ATOM 0 HA SER A 61 -6.855 -8.336 -5.141 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.611 -8.971 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.244 -10.535 -6.511 1.00 0.00 H new ATOM 0 HG SER A 61 -5.258 -9.016 -8.260 1.00 0.00 H new ATOM 617 N GLU A 62 -7.781 -11.472 -5.591 1.00 0.00 N ATOM 618 CA GLU A 62 -8.897 -12.322 -5.985 1.00 0.00 C ATOM 619 C GLU A 62 -10.143 -12.001 -5.162 1.00 0.00 C ATOM 620 O GLU A 62 -11.234 -11.837 -5.711 1.00 0.00 O ATOM 621 CB GLU A 62 -8.513 -13.796 -5.822 1.00 0.00 C ATOM 622 CG GLU A 62 -9.541 -14.769 -6.380 1.00 0.00 C ATOM 623 CD GLU A 62 -9.082 -16.211 -6.293 1.00 0.00 C ATOM 624 OE1 GLU A 62 -8.114 -16.575 -6.996 1.00 0.00 O ATOM 625 OE2 GLU A 62 -9.683 -16.992 -5.527 1.00 0.00 O ATOM 0 H GLU A 62 -6.969 -11.980 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.127 -12.129 -7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.558 -13.969 -6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.365 -14.007 -4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.478 -14.656 -5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.746 -14.519 -7.421 1.00 0.00 H new ATOM 632 N LEU A 63 -9.969 -11.885 -3.850 1.00 0.00 N ATOM 633 CA LEU A 63 -11.082 -11.606 -2.947 1.00 0.00 C ATOM 634 C LEU A 63 -11.678 -10.224 -3.212 1.00 0.00 C ATOM 635 O LEU A 63 -12.900 -10.064 -3.269 1.00 0.00 O ATOM 636 CB LEU A 63 -10.623 -11.704 -1.491 1.00 0.00 C ATOM 637 CG LEU A 63 -10.114 -13.081 -1.059 1.00 0.00 C ATOM 638 CD1 LEU A 63 -9.639 -13.041 0.385 1.00 0.00 C ATOM 639 CD2 LEU A 63 -11.200 -14.133 -1.233 1.00 0.00 C ATOM 0 H LEU A 63 -9.066 -11.980 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.855 -12.352 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.831 -10.974 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.455 -11.423 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.271 -13.351 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.280 -14.028 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.830 -12.317 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.466 -12.749 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.818 -15.105 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.064 -13.869 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.497 -14.180 -2.281 1.00 0.00 H new ATOM 651 N ALA A 64 -10.813 -9.232 -3.379 1.00 0.00 N ATOM 652 CA ALA A 64 -11.257 -7.866 -3.627 1.00 0.00 C ATOM 653 C ALA A 64 -12.001 -7.767 -4.954 1.00 0.00 C ATOM 654 O ALA A 64 -13.090 -7.194 -5.027 1.00 0.00 O ATOM 655 CB ALA A 64 -10.072 -6.912 -3.612 1.00 0.00 C ATOM 0 H ALA A 64 -9.800 -9.347 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.945 -7.583 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.420 -5.896 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.583 -6.955 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.363 -7.201 -4.388 1.00 0.00 H new ATOM 661 N ASP A 65 -11.415 -8.348 -5.993 1.00 0.00 N ATOM 662 CA ASP A 65 -11.988 -8.293 -7.335 1.00 0.00 C ATOM 663 C ASP A 65 -13.302 -9.068 -7.407 1.00 0.00 C ATOM 664 O ASP A 65 -14.209 -8.698 -8.155 1.00 0.00 O ATOM 665 CB ASP A 65 -10.989 -8.840 -8.357 1.00 0.00 C ATOM 666 CG ASP A 65 -11.513 -8.787 -9.777 1.00 0.00 C ATOM 667 OD1 ASP A 65 -11.660 -7.671 -10.324 1.00 0.00 O ATOM 668 OD2 ASP A 65 -11.778 -9.865 -10.356 1.00 0.00 O ATOM 0 H ASP A 65 -10.538 -8.866 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.202 -7.250 -7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.063 -8.268 -8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.745 -9.871 -8.103 1.00 0.00 H new ATOM 673 N ALA A 66 -13.406 -10.135 -6.621 1.00 0.00 N ATOM 674 CA ALA A 66 -14.632 -10.925 -6.556 1.00 0.00 C ATOM 675 C ALA A 66 -15.792 -10.090 -6.021 1.00 0.00 C ATOM 676 O ALA A 66 -16.914 -10.166 -6.529 1.00 0.00 O ATOM 677 CB ALA A 66 -14.427 -12.160 -5.691 1.00 0.00 C ATOM 0 H ALA A 66 -12.655 -10.473 -6.019 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.880 -11.245 -7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.352 -12.736 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.633 -12.774 -6.116 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.149 -11.855 -4.682 1.00 0.00 H new ATOM 683 N LYS A 67 -15.512 -9.288 -5.000 1.00 0.00 N ATOM 684 CA LYS A 67 -16.522 -8.415 -4.412 1.00 0.00 C ATOM 685 C LYS A 67 -16.799 -7.221 -5.321 1.00 0.00 C ATOM 686 O LYS A 67 -17.865 -6.605 -5.254 1.00 0.00 O ATOM 687 CB LYS A 67 -16.069 -7.936 -3.033 1.00 0.00 C ATOM 688 CG LYS A 67 -15.890 -9.063 -2.030 1.00 0.00 C ATOM 689 CD LYS A 67 -15.364 -8.550 -0.703 1.00 0.00 C ATOM 690 CE LYS A 67 -15.155 -9.682 0.294 1.00 0.00 C ATOM 691 NZ LYS A 67 -16.431 -10.333 0.685 1.00 0.00 N ATOM 0 H LYS A 67 -14.593 -9.224 -4.562 1.00 0.00 H new ATOM 0 HA LYS A 67 -17.445 -8.984 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -15.127 -7.398 -3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.800 -7.227 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.844 -9.567 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.200 -9.804 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.421 -8.027 -0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.065 -7.825 -0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.488 -10.427 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.661 -9.292 1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.259 -10.990 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.114 -9.607 0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.815 -10.859 -0.126 1.00 0.00 H new ATOM 705 N GLY A 68 -15.839 -6.905 -6.177 1.00 0.00 N ATOM 706 CA GLY A 68 -16.005 -5.810 -7.112 1.00 0.00 C ATOM 707 C GLY A 68 -15.207 -4.591 -6.716 1.00 0.00 C ATOM 708 O GLY A 68 -15.530 -3.470 -7.107 1.00 0.00 O ATOM 0 H GLY A 68 -14.944 -7.389 -6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.698 -6.135 -8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.061 -5.546 -7.175 1.00 0.00 H new ATOM 712 N GLY A 69 -14.163 -4.806 -5.937 1.00 0.00 N ATOM 713 CA GLY A 69 -13.317 -3.711 -5.525 1.00 0.00 C ATOM 714 C GLY A 69 -12.178 -3.483 -6.493 1.00 0.00 C ATOM 715 O GLY A 69 -11.758 -4.402 -7.198 1.00 0.00 O ATOM 0 H GLY A 69 -13.886 -5.721 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.913 -2.802 -5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.915 -3.916 -4.533 1.00 0.00 H new ATOM 719 N LYS A 70 -11.690 -2.256 -6.541 1.00 0.00 N ATOM 720 CA LYS A 70 -10.569 -1.911 -7.400 1.00 0.00 C ATOM 721 C LYS A 70 -9.347 -1.613 -6.551 1.00 0.00 C ATOM 722 O LYS A 70 -8.227 -1.986 -6.894 1.00 0.00 O ATOM 723 CB LYS A 70 -10.911 -0.701 -8.270 1.00 0.00 C ATOM 724 CG LYS A 70 -12.051 -0.953 -9.240 1.00 0.00 C ATOM 725 CD LYS A 70 -12.360 0.279 -10.073 1.00 0.00 C ATOM 726 CE LYS A 70 -13.443 -0.004 -11.100 1.00 0.00 C ATOM 727 NZ LYS A 70 -13.823 1.218 -11.852 1.00 0.00 N ATOM 0 H LYS A 70 -12.054 -1.477 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.356 -2.756 -8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.173 0.138 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.025 -0.406 -8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.793 -1.782 -9.898 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.941 -1.251 -8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.679 1.091 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.455 0.614 -10.579 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.093 -0.765 -11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.322 -0.410 -10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.633 1.008 -12.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.084 1.970 -11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.019 1.534 -12.431 1.00 0.00 H new ATOM 741 N TYR A 71 -9.583 -0.954 -5.429 1.00 0.00 N ATOM 742 CA TYR A 71 -8.519 -0.596 -4.509 1.00 0.00 C ATOM 743 C TYR A 71 -8.583 -1.490 -3.285 1.00 0.00 C ATOM 744 O TYR A 71 -9.670 -1.847 -2.831 1.00 0.00 O ATOM 745 CB TYR A 71 -8.653 0.868 -4.067 1.00 0.00 C ATOM 746 CG TYR A 71 -8.697 1.874 -5.199 1.00 0.00 C ATOM 747 CD1 TYR A 71 -9.896 2.184 -5.834 1.00 0.00 C ATOM 748 CD2 TYR A 71 -7.546 2.526 -5.621 1.00 0.00 C ATOM 749 CE1 TYR A 71 -9.943 3.113 -6.855 1.00 0.00 C ATOM 750 CE2 TYR A 71 -7.584 3.455 -6.644 1.00 0.00 C ATOM 751 CZ TYR A 71 -8.786 3.743 -7.258 1.00 0.00 C ATOM 752 OH TYR A 71 -8.833 4.672 -8.273 1.00 0.00 O ATOM 0 H TYR A 71 -10.512 -0.654 -5.132 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.565 -0.726 -5.019 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.561 0.971 -3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.815 1.114 -3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.805 1.690 -5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.604 2.303 -5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.882 3.344 -7.335 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.679 3.952 -6.961 1.00 0.00 H new ATOM 0 HH TYR A 71 -7.933 5.024 -8.436 1.00 0.00 H new ATOM 762 N TYR A 72 -7.434 -1.856 -2.756 1.00 0.00 N ATOM 763 CA TYR A 72 -7.388 -2.609 -1.520 1.00 0.00 C ATOM 764 C TYR A 72 -6.180 -2.192 -0.697 1.00 0.00 C ATOM 765 O TYR A 72 -5.167 -1.741 -1.239 1.00 0.00 O ATOM 766 CB TYR A 72 -7.395 -4.125 -1.779 1.00 0.00 C ATOM 767 CG TYR A 72 -6.162 -4.672 -2.462 1.00 0.00 C ATOM 768 CD1 TYR A 72 -5.967 -4.515 -3.828 1.00 0.00 C ATOM 769 CD2 TYR A 72 -5.202 -5.367 -1.738 1.00 0.00 C ATOM 770 CE1 TYR A 72 -4.849 -5.030 -4.452 1.00 0.00 C ATOM 771 CE2 TYR A 72 -4.082 -5.889 -2.356 1.00 0.00 C ATOM 772 CZ TYR A 72 -3.912 -5.717 -3.712 1.00 0.00 C ATOM 773 OH TYR A 72 -2.801 -6.237 -4.334 1.00 0.00 O ATOM 0 H TYR A 72 -6.522 -1.645 -3.161 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.289 -2.382 -0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.520 -4.639 -0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.265 -4.368 -2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.702 -3.981 -4.412 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.333 -5.502 -0.674 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.709 -4.895 -5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.345 -6.428 -1.780 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.238 -6.691 -3.673 1.00 0.00 H new ATOM 783 N HIS A 73 -6.304 -2.316 0.613 1.00 0.00 N ATOM 784 CA HIS A 73 -5.262 -1.876 1.528 1.00 0.00 C ATOM 785 C HIS A 73 -5.197 -2.783 2.751 1.00 0.00 C ATOM 786 O HIS A 73 -6.200 -2.994 3.424 1.00 0.00 O ATOM 787 CB HIS A 73 -5.524 -0.426 1.961 1.00 0.00 C ATOM 788 CG HIS A 73 -4.642 0.035 3.078 1.00 0.00 C ATOM 789 ND1 HIS A 73 -5.120 0.352 4.326 1.00 0.00 N ATOM 790 CD2 HIS A 73 -3.302 0.204 3.136 1.00 0.00 C ATOM 791 CE1 HIS A 73 -4.113 0.693 5.106 1.00 0.00 C ATOM 792 NE2 HIS A 73 -2.991 0.609 4.410 1.00 0.00 N ATOM 0 H HIS A 73 -7.121 -2.720 1.070 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.304 -1.929 1.011 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.383 0.231 1.103 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.565 -0.330 2.268 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.101 0.327 4.606 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.603 0.049 2.327 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.191 0.991 6.141 1.00 0.00 H new ATOM 801 N ILE A 74 -4.015 -3.308 3.035 1.00 0.00 N ATOM 802 CA ILE A 74 -3.815 -4.138 4.213 1.00 0.00 C ATOM 803 C ILE A 74 -3.707 -3.258 5.453 1.00 0.00 C ATOM 804 O ILE A 74 -2.928 -2.303 5.481 1.00 0.00 O ATOM 805 CB ILE A 74 -2.545 -5.024 4.104 1.00 0.00 C ATOM 806 CG1 ILE A 74 -2.644 -6.006 2.929 1.00 0.00 C ATOM 807 CG2 ILE A 74 -2.313 -5.789 5.399 1.00 0.00 C ATOM 808 CD1 ILE A 74 -2.397 -5.380 1.572 1.00 0.00 C ATOM 0 H ILE A 74 -3.179 -3.174 2.466 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.677 -4.800 4.289 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.699 -4.361 3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.925 -6.811 3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.635 -6.460 2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.418 -6.404 5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.182 -5.084 6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.172 -6.428 5.603 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.486 -6.142 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.132 -4.595 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.395 -4.952 1.546 1.00 0.00 H new ATOM 820 N ILE A 75 -4.510 -3.559 6.462 1.00 0.00 N ATOM 821 CA ILE A 75 -4.461 -2.818 7.715 1.00 0.00 C ATOM 822 C ILE A 75 -3.792 -3.638 8.806 1.00 0.00 C ATOM 823 O ILE A 75 -3.112 -3.097 9.680 1.00 0.00 O ATOM 824 CB ILE A 75 -5.867 -2.389 8.194 1.00 0.00 C ATOM 825 CG1 ILE A 75 -6.841 -3.573 8.155 1.00 0.00 C ATOM 826 CG2 ILE A 75 -6.382 -1.237 7.352 1.00 0.00 C ATOM 827 CD1 ILE A 75 -8.227 -3.244 8.667 1.00 0.00 C ATOM 0 H ILE A 75 -5.202 -4.308 6.439 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.875 -1.920 7.520 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.791 -2.052 9.228 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.919 -3.933 7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.429 -4.389 8.749 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.373 -0.946 7.701 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.702 -0.389 7.441 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.441 -1.547 6.309 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.857 -4.131 8.607 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.163 -2.913 9.704 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.660 -2.450 8.059 1.00 0.00 H new ATOM 839 N ALA A 76 -3.974 -4.947 8.744 1.00 0.00 N ATOM 840 CA ALA A 76 -3.437 -5.827 9.761 1.00 0.00 C ATOM 841 C ALA A 76 -2.945 -7.135 9.162 1.00 0.00 C ATOM 842 O ALA A 76 -3.725 -8.063 8.943 1.00 0.00 O ATOM 843 CB ALA A 76 -4.483 -6.095 10.835 1.00 0.00 C ATOM 0 H ALA A 76 -4.489 -5.420 8.001 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.582 -5.328 10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.065 -6.758 11.593 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.777 -5.154 11.299 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.356 -6.565 10.383 1.00 0.00 H new ATOM 849 N ALA A 77 -1.658 -7.192 8.866 1.00 0.00 N ATOM 850 CA ALA A 77 -1.025 -8.436 8.474 1.00 0.00 C ATOM 851 C ALA A 77 -0.556 -9.163 9.725 1.00 0.00 C ATOM 852 O ALA A 77 0.632 -9.162 10.059 1.00 0.00 O ATOM 853 CB ALA A 77 0.136 -8.181 7.521 1.00 0.00 C ATOM 0 H ALA A 77 -1.031 -6.388 8.890 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.745 -9.058 7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.593 -9.130 7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.231 -7.679 6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.878 -7.551 8.012 1.00 0.00 H new ATOM 859 N ARG A 78 -1.508 -9.751 10.432 1.00 0.00 N ATOM 860 CA ARG A 78 -1.244 -10.345 11.729 1.00 0.00 C ATOM 861 C ARG A 78 -0.880 -11.814 11.607 1.00 0.00 C ATOM 862 O ARG A 78 -1.270 -12.498 10.660 1.00 0.00 O ATOM 863 CB ARG A 78 -2.442 -10.162 12.666 1.00 0.00 C ATOM 864 CG ARG A 78 -3.787 -10.206 11.961 1.00 0.00 C ATOM 865 CD ARG A 78 -4.936 -10.089 12.945 1.00 0.00 C ATOM 866 NE ARG A 78 -5.301 -11.380 13.520 1.00 0.00 N ATOM 867 CZ ARG A 78 -5.698 -11.553 14.777 1.00 0.00 C ATOM 868 NH1 ARG A 78 -5.667 -10.545 15.638 1.00 0.00 N ATOM 869 NH2 ARG A 78 -6.105 -12.748 15.174 1.00 0.00 N ATOM 0 H ARG A 78 -2.477 -9.829 10.124 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.387 -9.826 12.158 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.417 -10.941 13.428 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.344 -9.207 13.182 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.845 -9.395 11.235 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.877 -11.139 11.405 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.659 -9.402 13.745 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.802 -9.659 12.441 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.248 -12.202 12.919 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.337 -9.628 15.338 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.974 -10.687 16.600 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.113 -13.528 14.517 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.411 -12.889 16.137 1.00 0.00 H new ATOM 883 N GLU A 79 -0.123 -12.280 12.575 1.00 0.00 N ATOM 884 CA GLU A 79 0.381 -13.636 12.580 1.00 0.00 C ATOM 885 C GLU A 79 -0.196 -14.401 13.762 1.00 0.00 C ATOM 886 O GLU A 79 -0.208 -13.904 14.890 1.00 0.00 O ATOM 887 CB GLU A 79 1.903 -13.590 12.653 1.00 0.00 C ATOM 888 CG GLU A 79 2.593 -14.908 12.368 1.00 0.00 C ATOM 889 CD GLU A 79 4.085 -14.725 12.230 1.00 0.00 C ATOM 890 OE1 GLU A 79 4.772 -14.625 13.267 1.00 0.00 O ATOM 891 OE2 GLU A 79 4.574 -14.640 11.084 1.00 0.00 O ATOM 0 H GLU A 79 0.162 -11.728 13.384 1.00 0.00 H new ATOM 0 HA GLU A 79 0.080 -14.152 11.668 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.264 -12.846 11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.195 -13.251 13.647 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.383 -15.613 13.173 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.191 -15.341 11.452 1.00 0.00 H new ATOM 898 N HIS A 80 -0.677 -15.602 13.506 1.00 0.00 N ATOM 899 CA HIS A 80 -1.304 -16.414 14.535 1.00 0.00 C ATOM 900 C HIS A 80 -0.538 -17.719 14.688 1.00 0.00 C ATOM 901 O HIS A 80 -1.113 -18.805 14.604 1.00 0.00 O ATOM 902 CB HIS A 80 -2.763 -16.695 14.161 1.00 0.00 C ATOM 903 CG HIS A 80 -3.703 -16.689 15.327 1.00 0.00 C ATOM 904 ND1 HIS A 80 -4.860 -15.945 15.345 1.00 0.00 N ATOM 905 CD2 HIS A 80 -3.658 -17.334 16.516 1.00 0.00 C ATOM 906 CE1 HIS A 80 -5.484 -16.127 16.491 1.00 0.00 C ATOM 907 NE2 HIS A 80 -4.778 -16.967 17.221 1.00 0.00 N ATOM 0 H HIS A 80 -0.646 -16.042 12.586 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.285 -15.877 15.483 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.092 -15.948 13.438 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.820 -17.665 13.666 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.185 -15.344 14.587 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.885 -18.011 16.848 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.416 -15.666 16.783 1.00 0.00 H new ATOM 916 N GLY A 81 0.766 -17.601 14.894 1.00 0.00 N ATOM 917 CA GLY A 81 1.615 -18.771 14.974 1.00 0.00 C ATOM 918 C GLY A 81 1.844 -19.381 13.610 1.00 0.00 C ATOM 919 O GLY A 81 2.387 -18.720 12.722 1.00 0.00 O ATOM 0 H GLY A 81 1.252 -16.712 15.008 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.573 -18.498 15.417 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.158 -19.510 15.632 1.00 0.00 H new ATOM 923 N PRO A 82 1.435 -20.642 13.404 1.00 0.00 N ATOM 924 CA PRO A 82 1.499 -21.299 12.098 1.00 0.00 C ATOM 925 C PRO A 82 0.466 -20.727 11.130 1.00 0.00 C ATOM 926 O PRO A 82 0.546 -20.929 9.920 1.00 0.00 O ATOM 927 CB PRO A 82 1.185 -22.772 12.404 1.00 0.00 C ATOM 928 CG PRO A 82 1.238 -22.895 13.889 1.00 0.00 C ATOM 929 CD PRO A 82 0.896 -21.539 14.433 1.00 0.00 C ATOM 0 HA PRO A 82 2.468 -21.158 11.619 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.203 -23.050 12.023 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.910 -23.434 11.930 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.532 -23.646 14.243 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.229 -23.208 14.219 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.179 -21.412 14.560 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.355 -21.364 15.406 1.00 0.00 H new ATOM 937 N ASN A 83 -0.503 -20.008 11.680 1.00 0.00 N ATOM 938 CA ASN A 83 -1.547 -19.395 10.876 1.00 0.00 C ATOM 939 C ASN A 83 -1.199 -17.946 10.576 1.00 0.00 C ATOM 940 O ASN A 83 -0.580 -17.264 11.394 1.00 0.00 O ATOM 941 CB ASN A 83 -2.904 -19.456 11.588 1.00 0.00 C ATOM 942 CG ASN A 83 -3.435 -20.869 11.734 1.00 0.00 C ATOM 943 OD1 ASN A 83 -4.100 -21.388 10.838 1.00 0.00 O ATOM 944 ND2 ASN A 83 -3.169 -21.495 12.871 1.00 0.00 N ATOM 0 H ASN A 83 -0.586 -19.836 12.682 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.618 -19.954 9.943 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.810 -19.005 12.576 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.627 -18.858 11.032 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.519 -22.440 13.027 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.614 -21.032 13.591 1.00 0.00 H new ATOM 951 N PHE A 84 -1.593 -17.480 9.408 1.00 0.00 N ATOM 952 CA PHE A 84 -1.372 -16.096 9.024 1.00 0.00 C ATOM 953 C PHE A 84 -2.701 -15.450 8.667 1.00 0.00 C ATOM 954 O PHE A 84 -3.483 -16.022 7.908 1.00 0.00 O ATOM 955 CB PHE A 84 -0.398 -16.020 7.844 1.00 0.00 C ATOM 956 CG PHE A 84 -0.089 -14.619 7.402 1.00 0.00 C ATOM 957 CD1 PHE A 84 0.737 -13.805 8.161 1.00 0.00 C ATOM 958 CD2 PHE A 84 -0.626 -14.113 6.231 1.00 0.00 C ATOM 959 CE1 PHE A 84 1.020 -12.515 7.758 1.00 0.00 C ATOM 960 CE2 PHE A 84 -0.348 -12.824 5.824 1.00 0.00 C ATOM 961 CZ PHE A 84 0.477 -12.024 6.588 1.00 0.00 C ATOM 0 H PHE A 84 -2.071 -18.041 8.703 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.931 -15.556 9.862 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.532 -16.517 8.120 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.817 -16.572 7.003 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.164 -14.184 9.078 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.271 -14.735 5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.666 -11.891 8.358 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.776 -12.442 4.909 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.697 -11.015 6.271 1.00 0.00 H new ATOM 971 N GLU A 85 -2.959 -14.275 9.224 1.00 0.00 N ATOM 972 CA GLU A 85 -4.212 -13.578 8.988 1.00 0.00 C ATOM 973 C GLU A 85 -3.953 -12.184 8.435 1.00 0.00 C ATOM 974 O GLU A 85 -3.491 -11.298 9.151 1.00 0.00 O ATOM 975 CB GLU A 85 -5.023 -13.478 10.284 1.00 0.00 C ATOM 976 CG GLU A 85 -5.324 -14.822 10.926 1.00 0.00 C ATOM 977 CD GLU A 85 -6.179 -14.694 12.169 1.00 0.00 C ATOM 978 OE1 GLU A 85 -5.615 -14.543 13.274 1.00 0.00 O ATOM 979 OE2 GLU A 85 -7.418 -14.741 12.047 1.00 0.00 O ATOM 0 H GLU A 85 -2.314 -13.785 9.844 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.784 -14.148 8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.477 -12.860 10.996 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.963 -12.968 10.075 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.833 -15.460 10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.387 -15.316 11.183 1.00 0.00 H new ATOM 986 N ALA A 86 -4.236 -11.991 7.164 1.00 0.00 N ATOM 987 CA ALA A 86 -4.051 -10.696 6.535 1.00 0.00 C ATOM 988 C ALA A 86 -5.384 -10.007 6.323 1.00 0.00 C ATOM 989 O ALA A 86 -6.165 -10.398 5.454 1.00 0.00 O ATOM 990 CB ALA A 86 -3.312 -10.844 5.219 1.00 0.00 C ATOM 0 H ALA A 86 -4.596 -12.715 6.543 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.449 -10.076 7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.183 -9.863 4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.335 -11.292 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.887 -11.483 4.549 1.00 0.00 H new ATOM 996 N VAL A 87 -5.650 -8.992 7.130 1.00 0.00 N ATOM 997 CA VAL A 87 -6.885 -8.233 7.029 1.00 0.00 C ATOM 998 C VAL A 87 -6.677 -7.010 6.140 1.00 0.00 C ATOM 999 O VAL A 87 -5.804 -6.177 6.408 1.00 0.00 O ATOM 1000 CB VAL A 87 -7.387 -7.781 8.418 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -8.734 -7.080 8.305 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -7.479 -8.968 9.367 1.00 0.00 C ATOM 0 H VAL A 87 -5.021 -8.674 7.867 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.639 -8.885 6.588 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.667 -7.071 8.825 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.067 -6.771 9.296 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.635 -6.203 7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.465 -7.764 7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.834 -8.629 10.340 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.174 -9.704 8.963 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.494 -9.422 9.478 1.00 0.00 H new ATOM 1012 N ALA A 88 -7.472 -6.915 5.088 1.00 0.00 N ATOM 1013 CA ALA A 88 -7.343 -5.833 4.127 1.00 0.00 C ATOM 1014 C ALA A 88 -8.701 -5.208 3.824 1.00 0.00 C ATOM 1015 O ALA A 88 -9.745 -5.821 4.043 1.00 0.00 O ATOM 1016 CB ALA A 88 -6.695 -6.339 2.848 1.00 0.00 C ATOM 0 H ALA A 88 -8.218 -7.578 4.877 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.706 -5.064 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.604 -5.518 2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.705 -6.735 3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.311 -7.128 2.415 1.00 0.00 H new ATOM 1022 N GLU A 89 -8.669 -3.996 3.305 1.00 0.00 N ATOM 1023 CA GLU A 89 -9.878 -3.254 2.984 1.00 0.00 C ATOM 1024 C GLU A 89 -10.143 -3.317 1.483 1.00 0.00 C ATOM 1025 O GLU A 89 -9.210 -3.447 0.694 1.00 0.00 O ATOM 1026 CB GLU A 89 -9.707 -1.793 3.396 1.00 0.00 C ATOM 1027 CG GLU A 89 -9.178 -1.598 4.806 1.00 0.00 C ATOM 1028 CD GLU A 89 -8.851 -0.149 5.101 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -9.751 0.585 5.561 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -7.694 0.269 4.872 1.00 0.00 O ATOM 0 H GLU A 89 -7.806 -3.496 3.093 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.717 -3.695 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.028 -1.308 2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.669 -1.288 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.918 -1.954 5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.283 -2.205 4.944 1.00 0.00 H new ATOM 1037 N VAL A 90 -11.411 -3.229 1.098 1.00 0.00 N ATOM 1038 CA VAL A 90 -11.793 -3.238 -0.311 1.00 0.00 C ATOM 1039 C VAL A 90 -12.545 -1.956 -0.667 1.00 0.00 C ATOM 1040 O VAL A 90 -13.580 -1.650 -0.070 1.00 0.00 O ATOM 1041 CB VAL A 90 -12.683 -4.458 -0.647 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -13.045 -4.478 -2.123 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -11.994 -5.753 -0.248 1.00 0.00 C ATOM 0 H VAL A 90 -12.196 -3.150 1.745 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.876 -3.302 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.606 -4.369 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.671 -5.346 -2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.589 -3.568 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.135 -4.535 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.637 -6.598 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.052 -5.845 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.798 -5.745 0.824 1.00 0.00 H new ATOM 1053 N TYR A 91 -12.024 -1.209 -1.635 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.623 0.063 -2.027 1.00 0.00 C ATOM 1055 C TYR A 91 -12.904 0.119 -3.529 1.00 0.00 C ATOM 1056 O TYR A 91 -12.222 -0.519 -4.336 1.00 0.00 O ATOM 1057 CB TYR A 91 -11.718 1.234 -1.625 1.00 0.00 C ATOM 1058 CG TYR A 91 -11.627 1.455 -0.131 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -10.696 0.772 0.637 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -12.478 2.345 0.511 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -10.615 0.970 2.000 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -12.403 2.545 1.878 1.00 0.00 C ATOM 1063 CZ TYR A 91 -11.468 1.856 2.617 1.00 0.00 C ATOM 1064 OH TYR A 91 -11.395 2.038 3.981 1.00 0.00 O ATOM 0 H TYR A 91 -11.189 -1.462 -2.163 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.574 0.146 -1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -10.717 1.058 -2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.089 2.145 -2.095 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -10.024 0.074 0.161 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.210 2.890 -0.066 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.883 0.430 2.582 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.075 3.238 2.363 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.860 1.320 4.379 1.00 0.00 H new ATOM 1074 N ASN A 92 -13.923 0.884 -3.886 1.00 0.00 N ATOM 1075 CA ASN A 92 -14.300 1.105 -5.278 1.00 0.00 C ATOM 1076 C ASN A 92 -14.256 2.608 -5.564 1.00 0.00 C ATOM 1077 O ASN A 92 -14.109 3.406 -4.634 1.00 0.00 O ATOM 1078 CB ASN A 92 -15.711 0.548 -5.529 1.00 0.00 C ATOM 1079 CG ASN A 92 -16.087 0.459 -7.002 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -16.581 1.418 -7.590 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -15.880 -0.704 -7.601 1.00 0.00 N ATOM 0 H ASN A 92 -14.517 1.373 -3.216 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.606 0.590 -5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.783 -0.445 -5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.437 1.180 -5.017 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.133 -0.825 -8.582 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.468 -1.479 -7.082 1.00 0.00 H new ATOM 1088 N ASP A 93 -14.369 2.996 -6.830 1.00 0.00 N ATOM 1089 CA ASP A 93 -14.378 4.411 -7.193 1.00 0.00 C ATOM 1090 C ASP A 93 -15.672 5.068 -6.726 1.00 0.00 C ATOM 1091 O ASP A 93 -16.679 4.393 -6.516 1.00 0.00 O ATOM 1092 CB ASP A 93 -14.189 4.604 -8.705 1.00 0.00 C ATOM 1093 CG ASP A 93 -15.165 3.797 -9.543 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -14.843 2.636 -9.870 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -16.243 4.319 -9.897 1.00 0.00 O ATOM 0 H ASP A 93 -14.455 2.355 -7.619 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.538 4.892 -6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.303 5.661 -8.946 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.171 4.323 -8.975 1.00 0.00 H new ATOM 1100 N ALA A 94 -15.639 6.380 -6.554 1.00 0.00 N ATOM 1101 CA ALA A 94 -16.767 7.097 -5.979 1.00 0.00 C ATOM 1102 C ALA A 94 -17.520 7.908 -7.027 1.00 0.00 C ATOM 1103 O ALA A 94 -17.273 9.102 -7.185 1.00 0.00 O ATOM 1104 CB ALA A 94 -16.298 8.002 -4.847 1.00 0.00 C ATOM 0 H ALA A 94 -14.845 6.970 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 94 -17.458 6.354 -5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -17.153 8.532 -4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -15.827 7.399 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -15.578 8.724 -5.233 1.00 0.00 H new ATOM 1290 N ALA B 22 7.543 -1.217 -8.611 1.00 0.00 N ATOM 1291 CA ALA B 22 7.660 -0.849 -7.184 1.00 0.00 C ATOM 1292 C ALA B 22 6.296 -0.907 -6.513 1.00 0.00 C ATOM 1293 O ALA B 22 5.365 -0.202 -6.908 1.00 0.00 O ATOM 1294 CB ALA B 22 8.275 0.535 -7.043 1.00 0.00 C ATOM 0 HA ALA B 22 8.316 -1.564 -6.688 1.00 0.00 H new ATOM 0 HB1 ALA B 22 8.355 0.792 -5.987 1.00 0.00 H new ATOM 0 HB2 ALA B 22 9.268 0.540 -7.493 1.00 0.00 H new ATOM 0 HB3 ALA B 22 7.644 1.267 -7.548 1.00 0.00 H new ATOM 1302 N GLU B 23 6.187 -1.745 -5.494 1.00 0.00 N ATOM 1303 CA GLU B 23 4.909 -1.996 -4.846 1.00 0.00 C ATOM 1304 C GLU B 23 4.789 -1.159 -3.577 1.00 0.00 C ATOM 1305 O GLU B 23 5.793 -0.863 -2.928 1.00 0.00 O ATOM 1306 CB GLU B 23 4.780 -3.482 -4.494 1.00 0.00 C ATOM 1307 CG GLU B 23 5.408 -4.427 -5.514 1.00 0.00 C ATOM 1308 CD GLU B 23 4.796 -4.322 -6.899 1.00 0.00 C ATOM 1309 OE1 GLU B 23 3.745 -4.952 -7.139 1.00 0.00 O ATOM 1310 OE2 GLU B 23 5.375 -3.630 -7.758 1.00 0.00 O ATOM 0 H GLU B 23 6.970 -2.264 -5.097 1.00 0.00 H new ATOM 0 HA GLU B 23 4.110 -1.719 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU B 23 5.244 -3.655 -3.523 1.00 0.00 H new ATOM 0 HB3 GLU B 23 3.723 -3.728 -4.391 1.00 0.00 H new ATOM 0 HG2 GLU B 23 6.476 -4.218 -5.581 1.00 0.00 H new ATOM 0 HG3 GLU B 23 5.306 -5.452 -5.158 1.00 0.00 H new ATOM 1317 N GLN B 24 3.570 -0.773 -3.222 1.00 0.00 N ATOM 1318 CA GLN B 24 3.353 -0.036 -1.984 1.00 0.00 C ATOM 1319 C GLN B 24 2.724 -0.940 -0.935 1.00 0.00 C ATOM 1320 O GLN B 24 1.656 -1.506 -1.155 1.00 0.00 O ATOM 1321 CB GLN B 24 2.455 1.189 -2.193 1.00 0.00 C ATOM 1322 CG GLN B 24 2.529 2.157 -1.021 1.00 0.00 C ATOM 1323 CD GLN B 24 1.383 3.148 -0.952 1.00 0.00 C ATOM 1324 OE1 GLN B 24 1.022 3.596 0.135 1.00 0.00 O ATOM 1325 NE2 GLN B 24 0.807 3.497 -2.093 1.00 0.00 N ATOM 0 H GLN B 24 2.726 -0.955 -3.766 1.00 0.00 H new ATOM 0 HA GLN B 24 4.329 0.310 -1.644 1.00 0.00 H new ATOM 0 HB2 GLN B 24 2.751 1.703 -3.107 1.00 0.00 H new ATOM 0 HB3 GLN B 24 1.424 0.863 -2.330 1.00 0.00 H new ATOM 0 HG2 GLN B 24 2.554 1.584 -0.094 1.00 0.00 H new ATOM 0 HG3 GLN B 24 3.467 2.709 -1.080 1.00 0.00 H new ATOM 0 HE21 GLN B 24 1.138 3.101 -2.973 1.00 0.00 H new ATOM 0 HE22 GLN B 24 0.033 4.161 -2.091 1.00 0.00 H new ATOM 1334 N VAL B 25 3.395 -1.076 0.195 1.00 0.00 N ATOM 1335 CA VAL B 25 2.871 -1.843 1.318 1.00 0.00 C ATOM 1336 C VAL B 25 2.726 -0.931 2.528 1.00 0.00 C ATOM 1337 O VAL B 25 3.149 0.227 2.484 1.00 0.00 O ATOM 1338 CB VAL B 25 3.785 -3.037 1.677 1.00 0.00 C ATOM 1339 CG1 VAL B 25 3.826 -4.050 0.541 1.00 0.00 C ATOM 1340 CG2 VAL B 25 5.191 -2.560 2.017 1.00 0.00 C ATOM 0 H VAL B 25 4.312 -0.662 0.363 1.00 0.00 H new ATOM 0 HA VAL B 25 1.900 -2.244 1.027 1.00 0.00 H new ATOM 0 HB VAL B 25 3.367 -3.527 2.557 1.00 0.00 H new ATOM 0 HG11 VAL B 25 4.475 -4.881 0.817 1.00 0.00 H new ATOM 0 HG12 VAL B 25 2.820 -4.424 0.350 1.00 0.00 H new ATOM 0 HG13 VAL B 25 4.212 -3.572 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL B 25 5.816 -3.418 2.266 1.00 0.00 H new ATOM 0 HG22 VAL B 25 5.616 -2.039 1.159 1.00 0.00 H new ATOM 0 HG23 VAL B 25 5.149 -1.882 2.869 1.00 0.00 H new ATOM 1350 N SER B 26 2.134 -1.424 3.604 1.00 0.00 N ATOM 1351 CA SER B 26 2.005 -0.624 4.802 1.00 0.00 C ATOM 1352 C SER B 26 3.084 -1.011 5.802 1.00 0.00 C ATOM 1353 O SER B 26 3.735 -2.051 5.664 1.00 0.00 O ATOM 1354 CB SER B 26 0.611 -0.785 5.411 1.00 0.00 C ATOM 1355 OG SER B 26 -0.391 -0.452 4.467 1.00 0.00 O ATOM 0 H SER B 26 1.741 -2.363 3.669 1.00 0.00 H new ATOM 0 HA SER B 26 2.135 0.426 4.541 1.00 0.00 H new ATOM 0 HB2 SER B 26 0.473 -1.812 5.748 1.00 0.00 H new ATOM 0 HB3 SER B 26 0.517 -0.146 6.289 1.00 0.00 H new ATOM 0 HG SER B 26 -1.186 -0.124 4.936 1.00 0.00 H new ATOM 1361 N LYS B 27 3.269 -0.179 6.816 1.00 0.00 N ATOM 1362 CA LYS B 27 4.317 -0.404 7.798 1.00 0.00 C ATOM 1363 C LYS B 27 3.982 -1.623 8.656 1.00 0.00 C ATOM 1364 O LYS B 27 4.795 -2.079 9.455 1.00 0.00 O ATOM 1365 CB LYS B 27 4.498 0.848 8.660 1.00 0.00 C ATOM 1366 CG LYS B 27 5.918 1.043 9.172 1.00 0.00 C ATOM 1367 CD LYS B 27 6.086 2.414 9.807 1.00 0.00 C ATOM 1368 CE LYS B 27 7.516 2.654 10.268 1.00 0.00 C ATOM 1369 NZ LYS B 27 8.486 2.676 9.136 1.00 0.00 N ATOM 0 H LYS B 27 2.708 0.657 6.980 1.00 0.00 H new ATOM 0 HA LYS B 27 5.257 -0.604 7.284 1.00 0.00 H new ATOM 0 HB2 LYS B 27 4.208 1.723 8.078 1.00 0.00 H new ATOM 0 HB3 LYS B 27 3.819 0.793 9.511 1.00 0.00 H new ATOM 0 HG2 LYS B 27 6.154 0.269 9.902 1.00 0.00 H new ATOM 0 HG3 LYS B 27 6.624 0.931 8.349 1.00 0.00 H new ATOM 0 HD2 LYS B 27 5.802 3.184 9.089 1.00 0.00 H new ATOM 0 HD3 LYS B 27 5.410 2.506 10.657 1.00 0.00 H new ATOM 0 HE2 LYS B 27 7.567 3.602 10.804 1.00 0.00 H new ATOM 0 HE3 LYS B 27 7.803 1.873 10.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 9.455 2.723 9.510 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 8.376 1.812 8.568 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 8.304 3.508 8.539 1.00 0.00 H new ATOM 1383 N GLN B 28 2.782 -2.154 8.455 1.00 0.00 N ATOM 1384 CA GLN B 28 2.342 -3.356 9.139 1.00 0.00 C ATOM 1385 C GLN B 28 3.073 -4.566 8.566 1.00 0.00 C ATOM 1386 O GLN B 28 3.569 -5.418 9.305 1.00 0.00 O ATOM 1387 CB GLN B 28 0.830 -3.528 8.976 1.00 0.00 C ATOM 1388 CG GLN B 28 0.214 -4.501 9.966 1.00 0.00 C ATOM 1389 CD GLN B 28 0.187 -3.947 11.377 1.00 0.00 C ATOM 1390 OE1 GLN B 28 1.129 -4.121 12.147 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -0.897 -3.270 11.722 1.00 0.00 N ATOM 0 H GLN B 28 2.091 -1.762 7.815 1.00 0.00 H new ATOM 0 HA GLN B 28 2.571 -3.270 10.201 1.00 0.00 H new ATOM 0 HB2 GLN B 28 0.349 -2.556 9.088 1.00 0.00 H new ATOM 0 HB3 GLN B 28 0.620 -3.873 7.963 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -0.802 -4.740 9.653 1.00 0.00 H new ATOM 0 HG3 GLN B 28 0.779 -5.433 9.955 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -1.657 -3.148 11.053 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -0.972 -2.870 12.657 1.00 0.00 H new ATOM 1400 N GLU B 29 3.150 -4.626 7.238 1.00 0.00 N ATOM 1401 CA GLU B 29 3.838 -5.716 6.563 1.00 0.00 C ATOM 1402 C GLU B 29 5.341 -5.547 6.726 1.00 0.00 C ATOM 1403 O GLU B 29 6.081 -6.522 6.881 1.00 0.00 O ATOM 1404 CB GLU B 29 3.486 -5.764 5.069 1.00 0.00 C ATOM 1405 CG GLU B 29 1.992 -5.748 4.770 1.00 0.00 C ATOM 1406 CD GLU B 29 1.449 -4.344 4.585 1.00 0.00 C ATOM 1407 OE1 GLU B 29 1.317 -3.615 5.585 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.164 -3.959 3.434 1.00 0.00 O ATOM 0 H GLU B 29 2.744 -3.931 6.611 1.00 0.00 H new ATOM 0 HA GLU B 29 3.515 -6.653 7.017 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.952 -4.914 4.572 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.921 -6.665 4.635 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.799 -6.330 3.869 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.457 -6.236 5.585 1.00 0.00 H new ATOM 1415 N ILE B 30 5.777 -4.296 6.707 1.00 0.00 N ATOM 1416 CA ILE B 30 7.186 -3.960 6.865 1.00 0.00 C ATOM 1417 C ILE B 30 7.726 -4.464 8.203 1.00 0.00 C ATOM 1418 O ILE B 30 8.797 -5.072 8.260 1.00 0.00 O ATOM 1419 CB ILE B 30 7.402 -2.439 6.757 1.00 0.00 C ATOM 1420 CG1 ILE B 30 6.948 -1.942 5.382 1.00 0.00 C ATOM 1421 CG2 ILE B 30 8.863 -2.089 7.002 1.00 0.00 C ATOM 1422 CD1 ILE B 30 6.977 -0.437 5.231 1.00 0.00 C ATOM 0 H ILE B 30 5.168 -3.488 6.582 1.00 0.00 H new ATOM 0 HA ILE B 30 7.732 -4.453 6.061 1.00 0.00 H new ATOM 0 HB ILE B 30 6.803 -1.943 7.521 1.00 0.00 H new ATOM 0 HG12 ILE B 30 7.586 -2.386 4.618 1.00 0.00 H new ATOM 0 HG13 ILE B 30 5.934 -2.296 5.196 1.00 0.00 H new ATOM 0 HG21 ILE B 30 8.997 -1.010 6.922 1.00 0.00 H new ATOM 0 HG22 ILE B 30 9.153 -2.418 8.000 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.486 -2.588 6.260 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.642 -0.165 4.230 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.316 0.016 5.970 1.00 0.00 H new ATOM 0 HD13 ILE B 30 7.994 -0.076 5.384 1.00 0.00 H new ATOM 1434 N SER B 31 6.970 -4.232 9.268 1.00 0.00 N ATOM 1435 CA SER B 31 7.368 -4.667 10.600 1.00 0.00 C ATOM 1436 C SER B 31 7.108 -6.161 10.795 1.00 0.00 C ATOM 1437 O SER B 31 7.415 -6.725 11.847 1.00 0.00 O ATOM 1438 CB SER B 31 6.617 -3.857 11.660 1.00 0.00 C ATOM 1439 OG SER B 31 6.912 -2.474 11.543 1.00 0.00 O ATOM 0 H SER B 31 6.075 -3.744 9.235 1.00 0.00 H new ATOM 0 HA SER B 31 8.439 -4.496 10.708 1.00 0.00 H new ATOM 0 HB2 SER B 31 5.544 -4.015 11.551 1.00 0.00 H new ATOM 0 HB3 SER B 31 6.892 -4.209 12.654 1.00 0.00 H new ATOM 0 HG SER B 31 6.321 -2.069 10.874 1.00 0.00 H new ATOM 1445 N HIS B 32 6.534 -6.801 9.785 1.00 0.00 N ATOM 1446 CA HIS B 32 6.303 -8.235 9.840 1.00 0.00 C ATOM 1447 C HIS B 32 7.455 -8.968 9.155 1.00 0.00 C ATOM 1448 O HIS B 32 8.074 -9.847 9.749 1.00 0.00 O ATOM 1449 CB HIS B 32 4.970 -8.601 9.169 1.00 0.00 C ATOM 1450 CG HIS B 32 4.473 -9.977 9.515 1.00 0.00 C ATOM 1451 ND1 HIS B 32 3.217 -10.211 10.030 1.00 0.00 N ATOM 1452 CD2 HIS B 32 5.066 -11.192 9.419 1.00 0.00 C ATOM 1453 CE1 HIS B 32 3.063 -11.503 10.240 1.00 0.00 C ATOM 1454 NE2 HIS B 32 4.168 -12.125 9.879 1.00 0.00 N ATOM 0 H HIS B 32 6.222 -6.352 8.924 1.00 0.00 H new ATOM 0 HA HIS B 32 6.251 -8.539 10.885 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.216 -7.869 9.458 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.086 -8.528 8.088 1.00 0.00 H new ATOM 0 HD1 HIS B 32 2.515 -9.496 10.219 1.00 0.00 H new ATOM 0 HD2 HIS B 32 6.061 -11.390 9.049 1.00 0.00 H new ATOM 0 HE1 HIS B 32 2.178 -11.974 10.641 1.00 0.00 H new ATOM 0 HE2 HIS B 32 4.329 -13.131 9.932 1.00 0.00 H new ATOM 1463 N PHE B 33 7.745 -8.581 7.916 1.00 0.00 N ATOM 1464 CA PHE B 33 8.781 -9.245 7.123 1.00 0.00 C ATOM 1465 C PHE B 33 10.159 -8.638 7.383 1.00 0.00 C ATOM 1466 O PHE B 33 11.167 -9.128 6.869 1.00 0.00 O ATOM 1467 CB PHE B 33 8.447 -9.158 5.632 1.00 0.00 C ATOM 1468 CG PHE B 33 7.173 -9.865 5.253 1.00 0.00 C ATOM 1469 CD1 PHE B 33 7.150 -11.242 5.105 1.00 0.00 C ATOM 1470 CD2 PHE B 33 6.002 -9.152 5.043 1.00 0.00 C ATOM 1471 CE1 PHE B 33 5.983 -11.896 4.755 1.00 0.00 C ATOM 1472 CE2 PHE B 33 4.832 -9.801 4.693 1.00 0.00 C ATOM 1473 CZ PHE B 33 4.822 -11.174 4.550 1.00 0.00 C ATOM 0 H PHE B 33 7.278 -7.811 7.437 1.00 0.00 H new ATOM 0 HA PHE B 33 8.809 -10.292 7.426 1.00 0.00 H new ATOM 0 HB2 PHE B 33 8.368 -8.109 5.347 1.00 0.00 H new ATOM 0 HB3 PHE B 33 9.271 -9.582 5.059 1.00 0.00 H new ATOM 0 HD1 PHE B 33 8.054 -11.811 5.265 1.00 0.00 H new ATOM 0 HD2 PHE B 33 6.004 -8.078 5.154 1.00 0.00 H new ATOM 0 HE1 PHE B 33 5.979 -12.970 4.642 1.00 0.00 H new ATOM 0 HE2 PHE B 33 3.927 -9.234 4.532 1.00 0.00 H new ATOM 0 HZ PHE B 33 3.909 -11.683 4.279 1.00 0.00 H new ATOM 1483 N LYS B 34 10.184 -7.563 8.171 1.00 0.00 N ATOM 1484 CA LYS B 34 11.429 -6.903 8.575 1.00 0.00 C ATOM 1485 C LYS B 34 12.184 -6.372 7.358 1.00 0.00 C ATOM 1486 O LYS B 34 13.343 -6.727 7.122 1.00 0.00 O ATOM 1487 CB LYS B 34 12.320 -7.862 9.376 1.00 0.00 C ATOM 1488 CG LYS B 34 11.603 -8.551 10.530 1.00 0.00 C ATOM 1489 CD LYS B 34 10.991 -7.550 11.495 1.00 0.00 C ATOM 1490 CE LYS B 34 10.216 -8.246 12.603 1.00 0.00 C ATOM 1491 NZ LYS B 34 11.095 -9.067 13.478 1.00 0.00 N ATOM 0 H LYS B 34 9.344 -7.124 8.548 1.00 0.00 H new ATOM 0 HA LYS B 34 11.167 -6.059 9.213 1.00 0.00 H new ATOM 0 HB2 LYS B 34 12.717 -8.621 8.703 1.00 0.00 H new ATOM 0 HB3 LYS B 34 13.172 -7.308 9.769 1.00 0.00 H new ATOM 0 HG2 LYS B 34 10.821 -9.200 10.136 1.00 0.00 H new ATOM 0 HG3 LYS B 34 12.306 -9.188 11.066 1.00 0.00 H new ATOM 0 HD2 LYS B 34 11.778 -6.935 11.931 1.00 0.00 H new ATOM 0 HD3 LYS B 34 10.327 -6.878 10.951 1.00 0.00 H new ATOM 0 HE2 LYS B 34 9.701 -7.499 13.207 1.00 0.00 H new ATOM 0 HE3 LYS B 34 9.449 -8.883 12.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 10.549 -9.411 14.294 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 11.461 -9.878 12.939 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 11.890 -8.487 13.814 1.00 0.00 H new ATOM 1505 N LEU B 35 11.520 -5.518 6.588 1.00 0.00 N ATOM 1506 CA LEU B 35 12.112 -4.953 5.380 1.00 0.00 C ATOM 1507 C LEU B 35 13.205 -3.946 5.726 1.00 0.00 C ATOM 1508 O LEU B 35 13.211 -3.364 6.814 1.00 0.00 O ATOM 1509 CB LEU B 35 11.037 -4.286 4.517 1.00 0.00 C ATOM 1510 CG LEU B 35 9.975 -5.230 3.951 1.00 0.00 C ATOM 1511 CD1 LEU B 35 8.944 -4.452 3.152 1.00 0.00 C ATOM 1512 CD2 LEU B 35 10.620 -6.302 3.085 1.00 0.00 C ATOM 0 H LEU B 35 10.570 -5.201 6.779 1.00 0.00 H new ATOM 0 HA LEU B 35 12.563 -5.769 4.814 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.539 -3.521 5.113 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.526 -3.776 3.687 1.00 0.00 H new ATOM 0 HG LEU B 35 9.470 -5.718 4.784 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.196 -5.139 2.757 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.459 -3.720 3.798 1.00 0.00 H new ATOM 0 HD13 LEU B 35 9.436 -3.937 2.327 1.00 0.00 H new ATOM 0 HD21 LEU B 35 9.849 -6.964 2.691 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.151 -5.831 2.258 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.323 -6.880 3.685 1.00 0.00 H new ATOM 1524 N VAL B 36 14.124 -3.745 4.794 1.00 0.00 N ATOM 1525 CA VAL B 36 15.254 -2.850 5.003 1.00 0.00 C ATOM 1526 C VAL B 36 14.996 -1.511 4.319 1.00 0.00 C ATOM 1527 O VAL B 36 14.669 -1.464 3.132 1.00 0.00 O ATOM 1528 CB VAL B 36 16.560 -3.468 4.455 1.00 0.00 C ATOM 1529 CG1 VAL B 36 17.754 -2.575 4.746 1.00 0.00 C ATOM 1530 CG2 VAL B 36 16.777 -4.858 5.034 1.00 0.00 C ATOM 0 H VAL B 36 14.109 -4.193 3.878 1.00 0.00 H new ATOM 0 HA VAL B 36 15.367 -2.695 6.076 1.00 0.00 H new ATOM 0 HB VAL B 36 16.463 -3.555 3.373 1.00 0.00 H new ATOM 0 HG11 VAL B 36 18.658 -3.036 4.349 1.00 0.00 H new ATOM 0 HG12 VAL B 36 17.605 -1.603 4.275 1.00 0.00 H new ATOM 0 HG13 VAL B 36 17.857 -2.444 5.823 1.00 0.00 H new ATOM 0 HG21 VAL B 36 17.701 -5.277 4.637 1.00 0.00 H new ATOM 0 HG22 VAL B 36 16.845 -4.793 6.120 1.00 0.00 H new ATOM 0 HG23 VAL B 36 15.940 -5.501 4.761 1.00 0.00 H new ATOM 1540 N LYS B 37 15.129 -0.429 5.070 1.00 0.00 N ATOM 1541 CA LYS B 37 14.846 0.897 4.547 1.00 0.00 C ATOM 1542 C LYS B 37 16.070 1.479 3.847 1.00 0.00 C ATOM 1543 O LYS B 37 17.143 1.612 4.441 1.00 0.00 O ATOM 1544 CB LYS B 37 14.370 1.812 5.678 1.00 0.00 C ATOM 1545 CG LYS B 37 13.849 3.157 5.209 1.00 0.00 C ATOM 1546 CD LYS B 37 12.921 3.771 6.244 1.00 0.00 C ATOM 1547 CE LYS B 37 12.425 5.140 5.817 1.00 0.00 C ATOM 1548 NZ LYS B 37 13.481 6.173 5.942 1.00 0.00 N ATOM 0 H LYS B 37 15.431 -0.444 6.044 1.00 0.00 H new ATOM 0 HA LYS B 37 14.051 0.820 3.805 1.00 0.00 H new ATOM 0 HB2 LYS B 37 13.583 1.304 6.235 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.196 1.976 6.370 1.00 0.00 H new ATOM 0 HG2 LYS B 37 14.686 3.830 5.021 1.00 0.00 H new ATOM 0 HG3 LYS B 37 13.318 3.036 4.265 1.00 0.00 H new ATOM 0 HD2 LYS B 37 12.069 3.110 6.405 1.00 0.00 H new ATOM 0 HD3 LYS B 37 13.444 3.855 7.196 1.00 0.00 H new ATOM 0 HE2 LYS B 37 12.081 5.096 4.784 1.00 0.00 H new ATOM 0 HE3 LYS B 37 11.567 5.422 6.427 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 13.350 6.894 5.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 13.419 6.621 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 14.415 5.730 5.831 1.00 0.00 H new ATOM 1562 N VAL B 38 15.897 1.817 2.575 1.00 0.00 N ATOM 1563 CA VAL B 38 16.986 2.334 1.756 1.00 0.00 C ATOM 1564 C VAL B 38 17.066 3.855 1.862 1.00 0.00 C ATOM 1565 O VAL B 38 18.148 4.441 1.801 1.00 0.00 O ATOM 1566 CB VAL B 38 16.807 1.933 0.274 1.00 0.00 C ATOM 1567 CG1 VAL B 38 18.002 2.374 -0.562 1.00 0.00 C ATOM 1568 CG2 VAL B 38 16.590 0.432 0.147 1.00 0.00 C ATOM 0 H VAL B 38 15.005 1.741 2.085 1.00 0.00 H new ATOM 0 HA VAL B 38 17.912 1.898 2.130 1.00 0.00 H new ATOM 0 HB VAL B 38 15.923 2.444 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL B 38 17.849 2.079 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL B 38 18.106 3.457 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL B 38 18.907 1.902 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL B 38 16.466 0.170 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.453 -0.096 0.553 1.00 0.00 H new ATOM 0 HG23 VAL B 38 15.696 0.146 0.700 1.00 0.00 H new ATOM 1578 N GLY B 39 15.913 4.487 2.024 1.00 0.00 N ATOM 1579 CA GLY B 39 15.872 5.929 2.126 1.00 0.00 C ATOM 1580 C GLY B 39 14.459 6.451 2.249 1.00 0.00 C ATOM 1581 O GLY B 39 13.525 5.683 2.494 1.00 0.00 O ATOM 0 H GLY B 39 15.005 4.026 2.087 1.00 0.00 H new ATOM 0 HA2 GLY B 39 16.452 6.247 2.992 1.00 0.00 H new ATOM 0 HA3 GLY B 39 16.345 6.368 1.247 1.00 0.00 H new ATOM 1585 N THR B 40 14.301 7.752 2.080 1.00 0.00 N ATOM 1586 CA THR B 40 12.997 8.386 2.152 1.00 0.00 C ATOM 1587 C THR B 40 12.809 9.314 0.959 1.00 0.00 C ATOM 1588 O THR B 40 13.732 10.040 0.585 1.00 0.00 O ATOM 1589 CB THR B 40 12.851 9.202 3.455 1.00 0.00 C ATOM 1590 OG1 THR B 40 13.305 8.429 4.573 1.00 0.00 O ATOM 1591 CG2 THR B 40 11.406 9.617 3.687 1.00 0.00 C ATOM 0 H THR B 40 15.069 8.396 1.890 1.00 0.00 H new ATOM 0 HA THR B 40 12.238 7.604 2.140 1.00 0.00 H new ATOM 0 HB THR B 40 13.460 10.101 3.354 1.00 0.00 H new ATOM 0 HG1 THR B 40 12.930 8.798 5.400 1.00 0.00 H new ATOM 0 HG21 THR B 40 11.336 10.190 4.612 1.00 0.00 H new ATOM 0 HG22 THR B 40 11.065 10.231 2.853 1.00 0.00 H new ATOM 0 HG23 THR B 40 10.780 8.728 3.762 1.00 0.00 H new ATOM 1599 N ILE B 41 11.630 9.285 0.358 1.00 0.00 N ATOM 1600 CA ILE B 41 11.338 10.145 -0.777 1.00 0.00 C ATOM 1601 C ILE B 41 10.103 10.989 -0.500 1.00 0.00 C ATOM 1602 O ILE B 41 9.128 10.508 0.078 1.00 0.00 O ATOM 1603 CB ILE B 41 11.122 9.341 -2.080 1.00 0.00 C ATOM 1604 CG1 ILE B 41 10.053 8.258 -1.881 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.434 8.729 -2.551 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.697 7.509 -3.147 1.00 0.00 C ATOM 0 H ILE B 41 10.861 8.676 0.637 1.00 0.00 H new ATOM 0 HA ILE B 41 12.206 10.789 -0.916 1.00 0.00 H new ATOM 0 HB ILE B 41 10.767 10.025 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.406 7.545 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE B 41 9.152 8.720 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE B 41 12.264 8.167 -3.469 1.00 0.00 H new ATOM 0 HG22 ILE B 41 13.158 9.522 -2.740 1.00 0.00 H new ATOM 0 HG23 ILE B 41 12.820 8.060 -1.782 1.00 0.00 H new ATOM 0 HD11 ILE B 41 8.936 6.761 -2.925 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.312 8.210 -3.888 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.586 7.016 -3.540 1.00 0.00 H new ATOM 1618 N ASN B 42 10.151 12.251 -0.888 1.00 0.00 N ATOM 1619 CA ASN B 42 9.003 13.123 -0.736 1.00 0.00 C ATOM 1620 C ASN B 42 8.716 13.830 -2.051 1.00 0.00 C ATOM 1621 O ASN B 42 9.609 14.415 -2.670 1.00 0.00 O ATOM 1622 CB ASN B 42 9.217 14.143 0.399 1.00 0.00 C ATOM 1623 CG ASN B 42 10.178 15.272 0.046 1.00 0.00 C ATOM 1624 OD1 ASN B 42 9.763 16.326 -0.444 1.00 0.00 O ATOM 1625 ND2 ASN B 42 11.463 15.067 0.293 1.00 0.00 N ATOM 0 H ASN B 42 10.969 12.692 -1.309 1.00 0.00 H new ATOM 0 HA ASN B 42 8.141 12.513 -0.465 1.00 0.00 H new ATOM 0 HB2 ASN B 42 8.254 14.573 0.674 1.00 0.00 H new ATOM 0 HB3 ASN B 42 9.595 13.620 1.277 1.00 0.00 H new ATOM 0 HD21 ASN B 42 12.146 15.793 0.077 1.00 0.00 H new ATOM 0 HD22 ASN B 42 11.770 14.183 0.699 1.00 0.00 H new ATOM 1632 N VAL B 43 7.482 13.739 -2.504 1.00 0.00 N ATOM 1633 CA VAL B 43 7.070 14.450 -3.691 1.00 0.00 C ATOM 1634 C VAL B 43 6.290 15.687 -3.284 1.00 0.00 C ATOM 1635 O VAL B 43 5.119 15.606 -2.908 1.00 0.00 O ATOM 1636 CB VAL B 43 6.210 13.581 -4.632 1.00 0.00 C ATOM 1637 CG1 VAL B 43 5.898 14.336 -5.914 1.00 0.00 C ATOM 1638 CG2 VAL B 43 6.900 12.265 -4.942 1.00 0.00 C ATOM 0 H VAL B 43 6.750 13.180 -2.067 1.00 0.00 H new ATOM 0 HA VAL B 43 7.970 14.726 -4.241 1.00 0.00 H new ATOM 0 HB VAL B 43 5.272 13.357 -4.123 1.00 0.00 H new ATOM 0 HG11 VAL B 43 5.291 13.709 -6.567 1.00 0.00 H new ATOM 0 HG12 VAL B 43 5.351 15.248 -5.675 1.00 0.00 H new ATOM 0 HG13 VAL B 43 6.828 14.593 -6.420 1.00 0.00 H new ATOM 0 HG21 VAL B 43 6.272 11.673 -5.607 1.00 0.00 H new ATOM 0 HG22 VAL B 43 7.857 12.461 -5.426 1.00 0.00 H new ATOM 0 HG23 VAL B 43 7.068 11.715 -4.016 1.00 0.00 H new ATOM 1648 N SER B 44 6.964 16.815 -3.319 1.00 0.00 N ATOM 1649 CA SER B 44 6.361 18.084 -2.970 1.00 0.00 C ATOM 1650 C SER B 44 6.080 18.891 -4.228 1.00 0.00 C ATOM 1651 O SER B 44 7.000 19.342 -4.914 1.00 0.00 O ATOM 1652 CB SER B 44 7.285 18.841 -2.012 1.00 0.00 C ATOM 1653 OG SER B 44 8.643 18.477 -2.226 1.00 0.00 O ATOM 0 H SER B 44 7.945 16.879 -3.590 1.00 0.00 H new ATOM 0 HA SER B 44 5.410 17.915 -2.466 1.00 0.00 H new ATOM 0 HB2 SER B 44 7.165 19.915 -2.156 1.00 0.00 H new ATOM 0 HB3 SER B 44 7.004 18.624 -0.981 1.00 0.00 H new ATOM 0 HG SER B 44 8.897 17.774 -1.592 1.00 0.00 H new ATOM 1659 N GLN B 45 4.805 19.042 -4.549 1.00 0.00 N ATOM 1660 CA GLN B 45 4.409 19.725 -5.767 1.00 0.00 C ATOM 1661 C GLN B 45 3.538 20.929 -5.469 1.00 0.00 C ATOM 1662 O GLN B 45 2.738 20.917 -4.530 1.00 0.00 O ATOM 1663 CB GLN B 45 3.671 18.770 -6.707 1.00 0.00 C ATOM 1664 CG GLN B 45 4.590 17.781 -7.405 1.00 0.00 C ATOM 1665 CD GLN B 45 5.656 18.475 -8.234 1.00 0.00 C ATOM 1666 OE1 GLN B 45 5.442 19.575 -8.749 1.00 0.00 O ATOM 1667 NE2 GLN B 45 6.806 17.840 -8.370 1.00 0.00 N ATOM 0 H GLN B 45 4.028 18.701 -3.983 1.00 0.00 H new ATOM 0 HA GLN B 45 5.319 20.074 -6.256 1.00 0.00 H new ATOM 0 HB2 GLN B 45 2.921 18.219 -6.139 1.00 0.00 H new ATOM 0 HB3 GLN B 45 3.137 19.352 -7.459 1.00 0.00 H new ATOM 0 HG2 GLN B 45 5.068 17.144 -6.661 1.00 0.00 H new ATOM 0 HG3 GLN B 45 3.998 17.130 -8.049 1.00 0.00 H new ATOM 0 HE21 GLN B 45 6.942 16.931 -7.927 1.00 0.00 H new ATOM 0 HE22 GLN B 45 7.558 18.258 -8.918 1.00 0.00 H new ATOM 1676 N SER B 46 3.710 21.965 -6.275 1.00 0.00 N ATOM 1677 CA SER B 46 2.914 23.173 -6.162 1.00 0.00 C ATOM 1678 C SER B 46 1.464 22.884 -6.545 1.00 0.00 C ATOM 1679 O SER B 46 0.535 23.492 -6.019 1.00 0.00 O ATOM 1680 CB SER B 46 3.493 24.255 -7.075 1.00 0.00 C ATOM 1681 OG SER B 46 4.911 24.301 -6.973 1.00 0.00 O ATOM 0 H SER B 46 4.403 21.991 -7.023 1.00 0.00 H new ATOM 0 HA SER B 46 2.939 23.523 -5.130 1.00 0.00 H new ATOM 0 HB2 SER B 46 3.205 24.057 -8.108 1.00 0.00 H new ATOM 0 HB3 SER B 46 3.074 25.225 -6.807 1.00 0.00 H new ATOM 0 HG SER B 46 5.259 24.999 -7.567 1.00 0.00 H new ATOM 1687 N GLY B 47 1.288 21.940 -7.460 1.00 0.00 N ATOM 1688 CA GLY B 47 -0.035 21.573 -7.917 1.00 0.00 C ATOM 1689 C GLY B 47 -0.050 21.304 -9.405 1.00 0.00 C ATOM 1690 O GLY B 47 0.897 21.663 -10.110 1.00 0.00 O ATOM 0 H GLY B 47 2.048 21.418 -7.897 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -0.373 20.686 -7.382 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -0.737 22.373 -7.683 1.00 0.00 H new ATOM 1694 N GLY B 48 -1.090 20.638 -9.882 1.00 0.00 N ATOM 1695 CA GLY B 48 -1.230 20.391 -11.305 1.00 0.00 C ATOM 1696 C GLY B 48 -0.510 19.136 -11.756 1.00 0.00 C ATOM 1697 O GLY B 48 -1.076 18.316 -12.477 1.00 0.00 O ATOM 0 H GLY B 48 -1.844 20.262 -9.307 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -2.288 20.306 -11.552 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -0.841 21.246 -11.858 1.00 0.00 H new ATOM 1701 N GLN B 49 0.745 18.996 -11.335 1.00 0.00 N ATOM 1702 CA GLN B 49 1.562 17.841 -11.698 1.00 0.00 C ATOM 1703 C GLN B 49 0.911 16.545 -11.223 1.00 0.00 C ATOM 1704 O GLN B 49 0.625 15.654 -12.022 1.00 0.00 O ATOM 1705 CB GLN B 49 2.967 17.976 -11.102 1.00 0.00 C ATOM 1706 CG GLN B 49 3.710 19.218 -11.574 1.00 0.00 C ATOM 1707 CD GLN B 49 3.949 19.225 -13.072 1.00 0.00 C ATOM 1708 OE1 GLN B 49 3.115 19.701 -13.842 1.00 0.00 O ATOM 1709 NE2 GLN B 49 5.094 18.714 -13.494 1.00 0.00 N ATOM 0 H GLN B 49 1.220 19.673 -10.738 1.00 0.00 H new ATOM 0 HA GLN B 49 1.641 17.807 -12.785 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.891 17.999 -10.015 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.550 17.093 -11.362 1.00 0.00 H new ATOM 0 HG2 GLN B 49 3.139 20.105 -11.297 1.00 0.00 H new ATOM 0 HG3 GLN B 49 4.668 19.281 -11.057 1.00 0.00 H new ATOM 0 HE21 GLN B 49 5.759 18.329 -12.823 1.00 0.00 H new ATOM 0 HE22 GLN B 49 5.312 18.705 -14.490 1.00 0.00 H new ATOM 1718 N ILE B 50 0.679 16.447 -9.923 1.00 0.00 N ATOM 1719 CA ILE B 50 -0.011 15.297 -9.362 1.00 0.00 C ATOM 1720 C ILE B 50 -1.434 15.677 -8.994 1.00 0.00 C ATOM 1721 O ILE B 50 -1.656 16.594 -8.201 1.00 0.00 O ATOM 1722 CB ILE B 50 0.712 14.734 -8.118 1.00 0.00 C ATOM 1723 CG1 ILE B 50 2.081 14.179 -8.512 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -0.131 13.655 -7.444 1.00 0.00 C ATOM 1725 CD1 ILE B 50 2.804 13.494 -7.376 1.00 0.00 C ATOM 0 H ILE B 50 0.958 17.149 -9.238 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.017 14.517 -10.124 1.00 0.00 H new ATOM 0 HB ILE B 50 0.856 15.545 -7.404 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.955 13.471 -9.331 1.00 0.00 H new ATOM 0 HG13 ILE B 50 2.700 14.994 -8.887 1.00 0.00 H new ATOM 0 HG21 ILE B 50 0.398 13.273 -6.571 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.085 14.080 -7.133 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.308 12.840 -8.146 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.767 13.125 -7.728 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.962 14.204 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.205 12.658 -7.015 1.00 0.00 H new ATOM 1737 N SER B 51 -2.391 14.985 -9.582 1.00 0.00 N ATOM 1738 CA SER B 51 -3.794 15.271 -9.337 1.00 0.00 C ATOM 1739 C SER B 51 -4.534 14.008 -8.902 1.00 0.00 C ATOM 1740 O SER B 51 -5.540 14.075 -8.190 1.00 0.00 O ATOM 1741 CB SER B 51 -4.427 15.861 -10.601 1.00 0.00 C ATOM 1742 OG SER B 51 -5.750 16.312 -10.358 1.00 0.00 O ATOM 0 H SER B 51 -2.223 14.219 -10.234 1.00 0.00 H new ATOM 0 HA SER B 51 -3.871 15.999 -8.529 1.00 0.00 H new ATOM 0 HB2 SER B 51 -3.819 16.691 -10.960 1.00 0.00 H new ATOM 0 HB3 SER B 51 -4.437 15.108 -11.389 1.00 0.00 H new ATOM 0 HG SER B 51 -6.125 16.684 -11.183 1.00 0.00 H new ATOM 1748 N SER B 52 -4.021 12.858 -9.317 1.00 0.00 N ATOM 1749 CA SER B 52 -4.649 11.585 -9.017 1.00 0.00 C ATOM 1750 C SER B 52 -3.638 10.625 -8.392 1.00 0.00 C ATOM 1751 O SER B 52 -2.429 10.857 -8.471 1.00 0.00 O ATOM 1752 CB SER B 52 -5.223 10.988 -10.307 1.00 0.00 C ATOM 1753 OG SER B 52 -4.206 10.815 -11.285 1.00 0.00 O ATOM 0 H SER B 52 -3.165 12.784 -9.866 1.00 0.00 H new ATOM 0 HA SER B 52 -5.456 11.742 -8.301 1.00 0.00 H new ATOM 0 HB2 SER B 52 -5.691 10.028 -10.091 1.00 0.00 H new ATOM 0 HB3 SER B 52 -6.002 11.642 -10.699 1.00 0.00 H new ATOM 0 HG SER B 52 -3.374 11.225 -10.968 1.00 0.00 H new ATOM 1759 N PRO B 53 -4.111 9.533 -7.759 1.00 0.00 N ATOM 1760 CA PRO B 53 -3.230 8.492 -7.211 1.00 0.00 C ATOM 1761 C PRO B 53 -2.367 7.845 -8.293 1.00 0.00 C ATOM 1762 O PRO B 53 -1.371 7.183 -7.997 1.00 0.00 O ATOM 1763 CB PRO B 53 -4.201 7.464 -6.619 1.00 0.00 C ATOM 1764 CG PRO B 53 -5.472 8.208 -6.407 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.531 9.241 -7.495 1.00 0.00 C ATOM 0 HA PRO B 53 -2.529 8.897 -6.481 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -4.345 6.622 -7.296 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -3.821 7.057 -5.682 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -6.330 7.538 -6.458 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -5.491 8.676 -5.423 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -6.036 8.862 -8.383 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -6.073 10.131 -7.176 1.00 0.00 H new ATOM 1773 N SER B 54 -2.757 8.043 -9.550 1.00 0.00 N ATOM 1774 CA SER B 54 -2.004 7.521 -10.679 1.00 0.00 C ATOM 1775 C SER B 54 -0.668 8.254 -10.800 1.00 0.00 C ATOM 1776 O SER B 54 0.385 7.624 -10.903 1.00 0.00 O ATOM 1777 CB SER B 54 -2.815 7.661 -11.972 1.00 0.00 C ATOM 1778 OG SER B 54 -2.180 6.999 -13.051 1.00 0.00 O ATOM 0 H SER B 54 -3.595 8.564 -9.809 1.00 0.00 H new ATOM 0 HA SER B 54 -1.807 6.462 -10.512 1.00 0.00 H new ATOM 0 HB2 SER B 54 -3.813 7.247 -11.825 1.00 0.00 H new ATOM 0 HB3 SER B 54 -2.940 8.717 -12.213 1.00 0.00 H new ATOM 0 HG SER B 54 -2.720 7.103 -13.862 1.00 0.00 H new ATOM 1784 N ASP B 55 -0.719 9.586 -10.752 1.00 0.00 N ATOM 1785 CA ASP B 55 0.495 10.400 -10.809 1.00 0.00 C ATOM 1786 C ASP B 55 1.344 10.110 -9.582 1.00 0.00 C ATOM 1787 O ASP B 55 2.567 9.976 -9.660 1.00 0.00 O ATOM 1788 CB ASP B 55 0.170 11.901 -10.835 1.00 0.00 C ATOM 1789 CG ASP B 55 -1.002 12.261 -11.725 1.00 0.00 C ATOM 1790 OD1 ASP B 55 -0.814 12.419 -12.949 1.00 0.00 O ATOM 1791 OD2 ASP B 55 -2.125 12.407 -11.192 1.00 0.00 O ATOM 0 H ASP B 55 -1.584 10.122 -10.674 1.00 0.00 H new ATOM 0 HA ASP B 55 1.028 10.146 -11.725 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -0.042 12.234 -9.819 1.00 0.00 H new ATOM 0 HB3 ASP B 55 1.051 12.447 -11.172 1.00 0.00 H new ATOM 1796 N LEU B 56 0.661 9.998 -8.449 1.00 0.00 N ATOM 1797 CA LEU B 56 1.298 9.754 -7.164 1.00 0.00 C ATOM 1798 C LEU B 56 2.131 8.474 -7.186 1.00 0.00 C ATOM 1799 O LEU B 56 3.342 8.511 -6.955 1.00 0.00 O ATOM 1800 CB LEU B 56 0.228 9.674 -6.072 1.00 0.00 C ATOM 1801 CG LEU B 56 0.751 9.465 -4.652 1.00 0.00 C ATOM 1802 CD1 LEU B 56 1.706 10.581 -4.269 1.00 0.00 C ATOM 1803 CD2 LEU B 56 -0.405 9.393 -3.668 1.00 0.00 C ATOM 0 H LEU B 56 -0.355 10.074 -8.397 1.00 0.00 H new ATOM 0 HA LEU B 56 1.975 10.582 -6.953 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.357 10.593 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.452 8.857 -6.314 1.00 0.00 H new ATOM 0 HG LEU B 56 1.294 8.520 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU B 56 2.069 10.417 -3.255 1.00 0.00 H new ATOM 0 HD12 LEU B 56 2.549 10.591 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU B 56 1.186 11.538 -4.318 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -0.017 9.244 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -0.972 10.323 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -1.057 8.560 -3.933 1.00 0.00 H new ATOM 1815 N ARG B 57 1.485 7.348 -7.483 1.00 0.00 N ATOM 1816 CA ARG B 57 2.161 6.053 -7.480 1.00 0.00 C ATOM 1817 C ARG B 57 3.307 6.030 -8.487 1.00 0.00 C ATOM 1818 O ARG B 57 4.333 5.385 -8.256 1.00 0.00 O ATOM 1819 CB ARG B 57 1.180 4.916 -7.791 1.00 0.00 C ATOM 1820 CG ARG B 57 0.675 4.917 -9.227 1.00 0.00 C ATOM 1821 CD ARG B 57 -0.154 3.685 -9.535 1.00 0.00 C ATOM 1822 NE ARG B 57 -1.387 3.637 -8.753 1.00 0.00 N ATOM 1823 CZ ARG B 57 -2.371 2.767 -8.978 1.00 0.00 C ATOM 1824 NH1 ARG B 57 -2.253 1.853 -9.932 1.00 0.00 N ATOM 1825 NH2 ARG B 57 -3.474 2.803 -8.242 1.00 0.00 N ATOM 0 H ARG B 57 0.496 7.307 -7.728 1.00 0.00 H new ATOM 0 HA ARG B 57 2.567 5.903 -6.480 1.00 0.00 H new ATOM 0 HB2 ARG B 57 1.667 3.962 -7.588 1.00 0.00 H new ATOM 0 HB3 ARG B 57 0.328 4.989 -7.116 1.00 0.00 H new ATOM 0 HG2 ARG B 57 0.076 5.811 -9.401 1.00 0.00 H new ATOM 0 HG3 ARG B 57 1.523 4.964 -9.910 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -0.399 3.671 -10.597 1.00 0.00 H new ATOM 0 HD3 ARG B 57 0.437 2.792 -9.332 1.00 0.00 H new ATOM 0 HE ARG B 57 -1.501 4.307 -7.992 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -1.406 1.813 -10.498 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -3.010 1.190 -10.099 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -3.571 3.498 -7.502 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -4.226 2.136 -8.417 1.00 0.00 H new ATOM 1839 N GLU B 58 3.135 6.743 -9.596 1.00 0.00 N ATOM 1840 CA GLU B 58 4.143 6.768 -10.643 1.00 0.00 C ATOM 1841 C GLU B 58 5.398 7.474 -10.159 1.00 0.00 C ATOM 1842 O GLU B 58 6.505 6.966 -10.333 1.00 0.00 O ATOM 1843 CB GLU B 58 3.609 7.451 -11.899 1.00 0.00 C ATOM 1844 CG GLU B 58 4.587 7.409 -13.061 1.00 0.00 C ATOM 1845 CD GLU B 58 4.044 8.061 -14.307 1.00 0.00 C ATOM 1846 OE1 GLU B 58 3.297 7.401 -15.056 1.00 0.00 O ATOM 1847 OE2 GLU B 58 4.374 9.240 -14.558 1.00 0.00 O ATOM 0 H GLU B 58 2.309 7.309 -9.790 1.00 0.00 H new ATOM 0 HA GLU B 58 4.393 5.737 -10.892 1.00 0.00 H new ATOM 0 HB2 GLU B 58 2.677 6.971 -12.198 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.373 8.490 -11.668 1.00 0.00 H new ATOM 0 HG2 GLU B 58 5.512 7.907 -12.770 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.839 6.371 -13.280 1.00 0.00 H new ATOM 1854 N LYS B 59 5.224 8.639 -9.543 1.00 0.00 N ATOM 1855 CA LYS B 59 6.352 9.390 -9.007 1.00 0.00 C ATOM 1856 C LYS B 59 7.059 8.592 -7.921 1.00 0.00 C ATOM 1857 O LYS B 59 8.285 8.525 -7.889 1.00 0.00 O ATOM 1858 CB LYS B 59 5.894 10.738 -8.445 1.00 0.00 C ATOM 1859 CG LYS B 59 5.339 11.707 -9.483 1.00 0.00 C ATOM 1860 CD LYS B 59 6.393 12.137 -10.498 1.00 0.00 C ATOM 1861 CE LYS B 59 6.404 11.239 -11.726 1.00 0.00 C ATOM 1862 NZ LYS B 59 7.384 11.699 -12.744 1.00 0.00 N ATOM 0 H LYS B 59 4.316 9.082 -9.403 1.00 0.00 H new ATOM 0 HA LYS B 59 7.050 9.572 -9.824 1.00 0.00 H new ATOM 0 HB2 LYS B 59 5.129 10.560 -7.689 1.00 0.00 H new ATOM 0 HB3 LYS B 59 6.737 11.211 -7.941 1.00 0.00 H new ATOM 0 HG2 LYS B 59 4.505 11.238 -10.005 1.00 0.00 H new ATOM 0 HG3 LYS B 59 4.943 12.588 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS B 59 6.203 13.166 -10.803 1.00 0.00 H new ATOM 0 HD3 LYS B 59 7.376 12.120 -10.028 1.00 0.00 H new ATOM 0 HE2 LYS B 59 6.644 10.219 -11.427 1.00 0.00 H new ATOM 0 HE3 LYS B 59 5.407 11.216 -12.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 7.288 11.122 -13.604 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 7.203 12.697 -12.975 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 8.348 11.601 -12.367 1.00 0.00 H new ATOM 1876 N LEU B 60 6.276 7.972 -7.047 1.00 0.00 N ATOM 1877 CA LEU B 60 6.828 7.165 -5.967 1.00 0.00 C ATOM 1878 C LEU B 60 7.642 5.999 -6.522 1.00 0.00 C ATOM 1879 O LEU B 60 8.771 5.766 -6.094 1.00 0.00 O ATOM 1880 CB LEU B 60 5.712 6.643 -5.065 1.00 0.00 C ATOM 1881 CG LEU B 60 4.894 7.724 -4.357 1.00 0.00 C ATOM 1882 CD1 LEU B 60 3.774 7.095 -3.549 1.00 0.00 C ATOM 1883 CD2 LEU B 60 5.787 8.572 -3.461 1.00 0.00 C ATOM 0 H LEU B 60 5.257 8.013 -7.065 1.00 0.00 H new ATOM 0 HA LEU B 60 7.490 7.799 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.037 6.032 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.150 5.989 -4.312 1.00 0.00 H new ATOM 0 HG LEU B 60 4.453 8.373 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.201 7.877 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.118 6.532 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.197 6.424 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.186 9.335 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.257 7.937 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.558 9.052 -4.065 1.00 0.00 H new ATOM 1895 N SER B 61 7.072 5.282 -7.487 1.00 0.00 N ATOM 1896 CA SER B 61 7.767 4.170 -8.124 1.00 0.00 C ATOM 1897 C SER B 61 9.023 4.664 -8.839 1.00 0.00 C ATOM 1898 O SER B 61 10.081 4.049 -8.748 1.00 0.00 O ATOM 1899 CB SER B 61 6.847 3.460 -9.121 1.00 0.00 C ATOM 1900 OG SER B 61 5.693 2.934 -8.481 1.00 0.00 O ATOM 0 H SER B 61 6.132 5.452 -7.844 1.00 0.00 H new ATOM 0 HA SER B 61 8.057 3.462 -7.348 1.00 0.00 H new ATOM 0 HB2 SER B 61 6.545 4.159 -9.901 1.00 0.00 H new ATOM 0 HB3 SER B 61 7.393 2.653 -9.610 1.00 0.00 H new ATOM 0 HG SER B 61 5.014 3.636 -8.403 1.00 0.00 H new ATOM 1906 N GLU B 62 8.887 5.791 -9.526 1.00 0.00 N ATOM 1907 CA GLU B 62 9.976 6.384 -10.292 1.00 0.00 C ATOM 1908 C GLU B 62 11.163 6.718 -9.387 1.00 0.00 C ATOM 1909 O GLU B 62 12.308 6.356 -9.681 1.00 0.00 O ATOM 1910 CB GLU B 62 9.456 7.644 -10.993 1.00 0.00 C ATOM 1911 CG GLU B 62 10.446 8.316 -11.928 1.00 0.00 C ATOM 1912 CD GLU B 62 9.824 9.488 -12.662 1.00 0.00 C ATOM 1913 OE1 GLU B 62 9.746 10.591 -12.082 1.00 0.00 O ATOM 1914 OE2 GLU B 62 9.393 9.312 -13.822 1.00 0.00 O ATOM 0 H GLU B 62 8.016 6.321 -9.568 1.00 0.00 H new ATOM 0 HA GLU B 62 10.326 5.669 -11.037 1.00 0.00 H new ATOM 0 HB2 GLU B 62 8.563 7.383 -11.561 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.151 8.364 -10.233 1.00 0.00 H new ATOM 0 HG2 GLU B 62 11.308 8.661 -11.357 1.00 0.00 H new ATOM 0 HG3 GLU B 62 10.814 7.588 -12.651 1.00 0.00 H new ATOM 1921 N LEU B 63 10.879 7.388 -8.276 1.00 0.00 N ATOM 1922 CA LEU B 63 11.920 7.801 -7.344 1.00 0.00 C ATOM 1923 C LEU B 63 12.498 6.602 -6.595 1.00 0.00 C ATOM 1924 O LEU B 63 13.715 6.472 -6.473 1.00 0.00 O ATOM 1925 CB LEU B 63 11.372 8.828 -6.350 1.00 0.00 C ATOM 1926 CG LEU B 63 10.811 10.108 -6.976 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.331 11.063 -5.895 1.00 0.00 C ATOM 1928 CD2 LEU B 63 11.855 10.779 -7.856 1.00 0.00 C ATOM 0 H LEU B 63 9.935 7.657 -7.999 1.00 0.00 H new ATOM 0 HA LEU B 63 12.722 8.260 -7.922 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.585 8.356 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.169 9.100 -5.658 1.00 0.00 H new ATOM 0 HG LEU B 63 9.960 9.838 -7.601 1.00 0.00 H new ATOM 0 HD11 LEU B 63 9.936 11.967 -6.358 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.548 10.584 -5.308 1.00 0.00 H new ATOM 0 HD13 LEU B 63 11.165 11.324 -5.243 1.00 0.00 H new ATOM 0 HD21 LEU B 63 11.436 11.686 -8.291 1.00 0.00 H new ATOM 0 HD22 LEU B 63 12.728 11.034 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU B 63 12.151 10.098 -8.654 1.00 0.00 H new ATOM 1940 N ALA B 64 11.629 5.724 -6.107 1.00 0.00 N ATOM 1941 CA ALA B 64 12.070 4.545 -5.362 1.00 0.00 C ATOM 1942 C ALA B 64 12.948 3.651 -6.232 1.00 0.00 C ATOM 1943 O ALA B 64 13.946 3.096 -5.767 1.00 0.00 O ATOM 1944 CB ALA B 64 10.876 3.763 -4.836 1.00 0.00 C ATOM 0 H ALA B 64 10.618 5.804 -6.212 1.00 0.00 H new ATOM 0 HA ALA B 64 12.662 4.886 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.227 2.890 -4.285 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.288 4.398 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.256 3.439 -5.672 1.00 0.00 H new ATOM 1950 N ASP B 65 12.573 3.535 -7.499 1.00 0.00 N ATOM 1951 CA ASP B 65 13.329 2.745 -8.461 1.00 0.00 C ATOM 1952 C ASP B 65 14.740 3.298 -8.627 1.00 0.00 C ATOM 1953 O ASP B 65 15.713 2.541 -8.667 1.00 0.00 O ATOM 1954 CB ASP B 65 12.610 2.737 -9.808 1.00 0.00 C ATOM 1955 CG ASP B 65 13.363 1.969 -10.872 1.00 0.00 C ATOM 1956 OD1 ASP B 65 13.312 0.723 -10.859 1.00 0.00 O ATOM 1957 OD2 ASP B 65 13.987 2.611 -11.743 1.00 0.00 O ATOM 0 H ASP B 65 11.742 3.982 -7.887 1.00 0.00 H new ATOM 0 HA ASP B 65 13.402 1.724 -8.086 1.00 0.00 H new ATOM 0 HB2 ASP B 65 11.620 2.299 -9.683 1.00 0.00 H new ATOM 0 HB3 ASP B 65 12.464 3.764 -10.143 1.00 0.00 H new ATOM 1962 N ALA B 66 14.845 4.621 -8.705 1.00 0.00 N ATOM 1963 CA ALA B 66 16.137 5.284 -8.843 1.00 0.00 C ATOM 1964 C ALA B 66 16.974 5.132 -7.574 1.00 0.00 C ATOM 1965 O ALA B 66 18.203 5.047 -7.633 1.00 0.00 O ATOM 1966 CB ALA B 66 15.940 6.756 -9.176 1.00 0.00 C ATOM 0 H ALA B 66 14.048 5.257 -8.675 1.00 0.00 H new ATOM 0 HA ALA B 66 16.677 4.806 -9.660 1.00 0.00 H new ATOM 0 HB1 ALA B 66 16.912 7.240 -9.276 1.00 0.00 H new ATOM 0 HB2 ALA B 66 15.391 6.847 -10.113 1.00 0.00 H new ATOM 0 HB3 ALA B 66 15.376 7.237 -8.377 1.00 0.00 H new ATOM 1972 N LYS B 67 16.301 5.086 -6.430 1.00 0.00 N ATOM 1973 CA LYS B 67 16.980 4.931 -5.145 1.00 0.00 C ATOM 1974 C LYS B 67 17.496 3.507 -4.967 1.00 0.00 C ATOM 1975 O LYS B 67 18.486 3.279 -4.271 1.00 0.00 O ATOM 1976 CB LYS B 67 16.035 5.284 -3.994 1.00 0.00 C ATOM 1977 CG LYS B 67 15.567 6.730 -4.004 1.00 0.00 C ATOM 1978 CD LYS B 67 16.723 7.698 -3.821 1.00 0.00 C ATOM 1979 CE LYS B 67 16.249 9.140 -3.866 1.00 0.00 C ATOM 1980 NZ LYS B 67 17.346 10.094 -3.567 1.00 0.00 N ATOM 0 H LYS B 67 15.285 5.154 -6.364 1.00 0.00 H new ATOM 0 HA LYS B 67 17.830 5.613 -5.133 1.00 0.00 H new ATOM 0 HB2 LYS B 67 15.164 4.630 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.538 5.082 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS B 67 15.061 6.942 -4.946 1.00 0.00 H new ATOM 0 HG3 LYS B 67 14.837 6.881 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS B 67 17.215 7.504 -2.868 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.465 7.533 -4.602 1.00 0.00 H new ATOM 0 HE2 LYS B 67 15.839 9.356 -4.852 1.00 0.00 H new ATOM 0 HE3 LYS B 67 15.441 9.279 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 16.981 11.067 -3.608 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 17.721 9.905 -2.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 18.106 9.980 -4.268 1.00 0.00 H new ATOM 1994 N GLY B 68 16.826 2.554 -5.599 1.00 0.00 N ATOM 1995 CA GLY B 68 17.223 1.164 -5.479 1.00 0.00 C ATOM 1996 C GLY B 68 16.290 0.381 -4.580 1.00 0.00 C ATOM 1997 O GLY B 68 16.680 -0.626 -3.986 1.00 0.00 O ATOM 0 H GLY B 68 16.014 2.718 -6.194 1.00 0.00 H new ATOM 0 HA2 GLY B 68 17.242 0.706 -6.468 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.237 1.110 -5.083 1.00 0.00 H new ATOM 2001 N GLY B 69 15.058 0.850 -4.472 1.00 0.00 N ATOM 2002 CA GLY B 69 14.074 0.163 -3.669 1.00 0.00 C ATOM 2003 C GLY B 69 13.068 -0.568 -4.527 1.00 0.00 C ATOM 2004 O GLY B 69 12.901 -0.248 -5.706 1.00 0.00 O ATOM 0 H GLY B 69 14.722 1.698 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY B 69 14.573 -0.546 -3.009 1.00 0.00 H new ATOM 0 HA3 GLY B 69 13.557 0.881 -3.033 1.00 0.00 H new ATOM 2008 N LYS B 70 12.414 -1.560 -3.947 1.00 0.00 N ATOM 2009 CA LYS B 70 11.398 -2.325 -4.658 1.00 0.00 C ATOM 2010 C LYS B 70 10.027 -2.082 -4.045 1.00 0.00 C ATOM 2011 O LYS B 70 8.995 -2.282 -4.688 1.00 0.00 O ATOM 2012 CB LYS B 70 11.730 -3.819 -4.622 1.00 0.00 C ATOM 2013 CG LYS B 70 12.966 -4.190 -5.427 1.00 0.00 C ATOM 2014 CD LYS B 70 12.779 -3.874 -6.903 1.00 0.00 C ATOM 2015 CE LYS B 70 13.980 -4.304 -7.727 1.00 0.00 C ATOM 2016 NZ LYS B 70 13.765 -4.062 -9.176 1.00 0.00 N ATOM 0 H LYS B 70 12.567 -1.857 -2.983 1.00 0.00 H new ATOM 0 HA LYS B 70 11.383 -1.994 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS B 70 11.877 -4.125 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS B 70 10.877 -4.381 -5.003 1.00 0.00 H new ATOM 0 HG2 LYS B 70 13.829 -3.647 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS B 70 13.177 -5.252 -5.304 1.00 0.00 H new ATOM 0 HD2 LYS B 70 11.885 -4.377 -7.272 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.617 -2.803 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS B 70 14.864 -3.760 -7.394 1.00 0.00 H new ATOM 0 HE3 LYS B 70 14.176 -5.363 -7.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 14.605 -4.367 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 12.936 -4.601 -9.499 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 13.603 -3.048 -9.338 1.00 0.00 H new ATOM 2030 N TYR B 71 10.027 -1.640 -2.799 1.00 0.00 N ATOM 2031 CA TYR B 71 8.794 -1.383 -2.079 1.00 0.00 C ATOM 2032 C TYR B 71 8.836 0.013 -1.483 1.00 0.00 C ATOM 2033 O TYR B 71 9.910 0.529 -1.176 1.00 0.00 O ATOM 2034 CB TYR B 71 8.601 -2.413 -0.960 1.00 0.00 C ATOM 2035 CG TYR B 71 8.733 -3.847 -1.420 1.00 0.00 C ATOM 2036 CD1 TYR B 71 7.663 -4.515 -2.003 1.00 0.00 C ATOM 2037 CD2 TYR B 71 9.933 -4.534 -1.273 1.00 0.00 C ATOM 2038 CE1 TYR B 71 7.785 -5.823 -2.428 1.00 0.00 C ATOM 2039 CE2 TYR B 71 10.063 -5.842 -1.698 1.00 0.00 C ATOM 2040 CZ TYR B 71 8.987 -6.483 -2.273 1.00 0.00 C ATOM 2041 OH TYR B 71 9.115 -7.785 -2.700 1.00 0.00 O ATOM 0 H TYR B 71 10.874 -1.451 -2.263 1.00 0.00 H new ATOM 0 HA TYR B 71 7.959 -1.461 -2.775 1.00 0.00 H new ATOM 0 HB2 TYR B 71 9.334 -2.224 -0.175 1.00 0.00 H new ATOM 0 HB3 TYR B 71 7.615 -2.273 -0.516 1.00 0.00 H new ATOM 0 HD1 TYR B 71 6.720 -4.003 -2.126 1.00 0.00 H new ATOM 0 HD2 TYR B 71 10.777 -4.037 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR B 71 6.944 -6.327 -2.880 1.00 0.00 H new ATOM 0 HE2 TYR B 71 11.003 -6.360 -1.580 1.00 0.00 H new ATOM 0 HH TYR B 71 10.025 -8.101 -2.518 1.00 0.00 H new ATOM 2051 N TYR B 72 7.682 0.629 -1.337 1.00 0.00 N ATOM 2052 CA TYR B 72 7.596 1.919 -0.680 1.00 0.00 C ATOM 2053 C TYR B 72 6.322 2.006 0.140 1.00 0.00 C ATOM 2054 O TYR B 72 5.411 1.196 -0.025 1.00 0.00 O ATOM 2055 CB TYR B 72 7.685 3.074 -1.689 1.00 0.00 C ATOM 2056 CG TYR B 72 6.696 3.000 -2.833 1.00 0.00 C ATOM 2057 CD1 TYR B 72 5.424 3.547 -2.721 1.00 0.00 C ATOM 2058 CD2 TYR B 72 7.044 2.392 -4.029 1.00 0.00 C ATOM 2059 CE1 TYR B 72 4.528 3.486 -3.774 1.00 0.00 C ATOM 2060 CE2 TYR B 72 6.156 2.331 -5.083 1.00 0.00 C ATOM 2061 CZ TYR B 72 4.901 2.877 -4.951 1.00 0.00 C ATOM 2062 OH TYR B 72 4.016 2.815 -6.002 1.00 0.00 O ATOM 0 H TYR B 72 6.790 0.259 -1.664 1.00 0.00 H new ATOM 0 HA TYR B 72 8.449 2.014 -0.008 1.00 0.00 H new ATOM 0 HB2 TYR B 72 7.534 4.014 -1.158 1.00 0.00 H new ATOM 0 HB3 TYR B 72 8.694 3.100 -2.101 1.00 0.00 H new ATOM 0 HD1 TYR B 72 5.130 4.027 -1.799 1.00 0.00 H new ATOM 0 HD2 TYR B 72 8.027 1.959 -4.138 1.00 0.00 H new ATOM 0 HE1 TYR B 72 3.542 3.914 -3.673 1.00 0.00 H new ATOM 0 HE2 TYR B 72 6.446 1.856 -6.009 1.00 0.00 H new ATOM 0 HH TYR B 72 4.508 2.657 -6.835 1.00 0.00 H new ATOM 2072 N HIS B 73 6.272 2.978 1.033 1.00 0.00 N ATOM 2073 CA HIS B 73 5.128 3.158 1.912 1.00 0.00 C ATOM 2074 C HIS B 73 4.896 4.636 2.193 1.00 0.00 C ATOM 2075 O HIS B 73 5.787 5.322 2.686 1.00 0.00 O ATOM 2076 CB HIS B 73 5.353 2.403 3.229 1.00 0.00 C ATOM 2077 CG HIS B 73 4.388 2.780 4.314 1.00 0.00 C ATOM 2078 ND1 HIS B 73 4.786 3.332 5.508 1.00 0.00 N ATOM 2079 CD2 HIS B 73 3.039 2.704 4.368 1.00 0.00 C ATOM 2080 CE1 HIS B 73 3.726 3.584 6.249 1.00 0.00 C ATOM 2081 NE2 HIS B 73 2.645 3.215 5.582 1.00 0.00 N ATOM 0 H HIS B 73 7.017 3.661 1.170 1.00 0.00 H new ATOM 0 HA HIS B 73 4.244 2.756 1.416 1.00 0.00 H new ATOM 0 HB2 HIS B 73 5.274 1.332 3.041 1.00 0.00 H new ATOM 0 HB3 HIS B 73 6.369 2.592 3.577 1.00 0.00 H new ATOM 0 HD1 HIS B 73 5.752 3.518 5.778 1.00 0.00 H new ATOM 0 HD2 HIS B 73 2.390 2.313 3.598 1.00 0.00 H new ATOM 0 HE1 HIS B 73 3.738 4.020 7.237 1.00 0.00 H new ATOM 2090 N ILE B 74 3.702 5.117 1.883 1.00 0.00 N ATOM 2091 CA ILE B 74 3.341 6.493 2.184 1.00 0.00 C ATOM 2092 C ILE B 74 3.035 6.643 3.670 1.00 0.00 C ATOM 2093 O ILE B 74 2.179 5.940 4.212 1.00 0.00 O ATOM 2094 CB ILE B 74 2.116 6.950 1.363 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.395 6.805 -0.135 1.00 0.00 C ATOM 2096 CG2 ILE B 74 1.753 8.392 1.702 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.220 7.180 -1.009 1.00 0.00 C ATOM 0 H ILE B 74 2.969 4.576 1.424 1.00 0.00 H new ATOM 0 HA ILE B 74 4.190 7.121 1.915 1.00 0.00 H new ATOM 0 HB ILE B 74 1.270 6.313 1.621 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.248 7.430 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE B 74 2.679 5.774 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.887 8.697 1.114 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.516 8.468 2.763 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.596 9.043 1.471 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.491 7.053 -2.057 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.371 6.538 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE B 74 0.949 8.220 -0.828 1.00 0.00 H new ATOM 2109 N ILE B 75 3.757 7.536 4.333 1.00 0.00 N ATOM 2110 CA ILE B 75 3.513 7.810 5.742 1.00 0.00 C ATOM 2111 C ILE B 75 2.677 9.068 5.906 1.00 0.00 C ATOM 2112 O ILE B 75 1.946 9.217 6.887 1.00 0.00 O ATOM 2113 CB ILE B 75 4.822 7.964 6.547 1.00 0.00 C ATOM 2114 CG1 ILE B 75 5.773 8.953 5.865 1.00 0.00 C ATOM 2115 CG2 ILE B 75 5.488 6.612 6.733 1.00 0.00 C ATOM 2116 CD1 ILE B 75 7.053 9.200 6.635 1.00 0.00 C ATOM 0 H ILE B 75 4.514 8.081 3.920 1.00 0.00 H new ATOM 0 HA ILE B 75 2.972 6.950 6.136 1.00 0.00 H new ATOM 0 HB ILE B 75 4.575 8.365 7.530 1.00 0.00 H new ATOM 0 HG12 ILE B 75 6.024 8.577 4.873 1.00 0.00 H new ATOM 0 HG13 ILE B 75 5.256 9.902 5.724 1.00 0.00 H new ATOM 0 HG21 ILE B 75 6.409 6.736 7.302 1.00 0.00 H new ATOM 0 HG22 ILE B 75 4.815 5.946 7.273 1.00 0.00 H new ATOM 0 HG23 ILE B 75 5.718 6.183 5.758 1.00 0.00 H new ATOM 0 HD11 ILE B 75 7.674 9.910 6.090 1.00 0.00 H new ATOM 0 HD12 ILE B 75 6.814 9.607 7.618 1.00 0.00 H new ATOM 0 HD13 ILE B 75 7.594 8.261 6.753 1.00 0.00 H new ATOM 2128 N ALA B 76 2.780 9.966 4.935 1.00 0.00 N ATOM 2129 CA ALA B 76 2.045 11.215 4.979 1.00 0.00 C ATOM 2130 C ALA B 76 1.723 11.718 3.577 1.00 0.00 C ATOM 2131 O ALA B 76 2.596 12.224 2.873 1.00 0.00 O ATOM 2132 CB ALA B 76 2.831 12.268 5.748 1.00 0.00 C ATOM 0 H ALA B 76 3.367 9.849 4.109 1.00 0.00 H new ATOM 0 HA ALA B 76 1.103 11.029 5.495 1.00 0.00 H new ATOM 0 HB1 ALA B 76 2.265 13.199 5.771 1.00 0.00 H new ATOM 0 HB2 ALA B 76 3.002 11.922 6.767 1.00 0.00 H new ATOM 0 HB3 ALA B 76 3.789 12.438 5.257 1.00 0.00 H new ATOM 2138 N ALA B 77 0.476 11.545 3.170 1.00 0.00 N ATOM 2139 CA ALA B 77 -0.014 12.138 1.936 1.00 0.00 C ATOM 2140 C ALA B 77 -0.800 13.393 2.280 1.00 0.00 C ATOM 2141 O ALA B 77 -2.034 13.411 2.232 1.00 0.00 O ATOM 2142 CB ALA B 77 -0.874 11.149 1.159 1.00 0.00 C ATOM 0 H ALA B 77 -0.218 10.997 3.678 1.00 0.00 H new ATOM 0 HA ALA B 77 0.829 12.400 1.296 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -1.228 11.618 0.241 1.00 0.00 H new ATOM 0 HB2 ALA B 77 -0.282 10.268 0.912 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -1.728 10.853 1.768 1.00 0.00 H new ATOM 2148 N ARG B 78 -0.072 14.435 2.650 1.00 0.00 N ATOM 2149 CA ARG B 78 -0.677 15.618 3.238 1.00 0.00 C ATOM 2150 C ARG B 78 -0.878 16.718 2.207 1.00 0.00 C ATOM 2151 O ARG B 78 -0.060 16.912 1.304 1.00 0.00 O ATOM 2152 CB ARG B 78 0.183 16.130 4.398 1.00 0.00 C ATOM 2153 CG ARG B 78 1.581 16.551 3.986 1.00 0.00 C ATOM 2154 CD ARG B 78 2.431 16.929 5.187 1.00 0.00 C ATOM 2155 NE ARG B 78 3.727 17.467 4.780 1.00 0.00 N ATOM 2156 CZ ARG B 78 4.882 17.200 5.391 1.00 0.00 C ATOM 2157 NH1 ARG B 78 4.913 16.418 6.463 1.00 0.00 N ATOM 2158 NH2 ARG B 78 6.008 17.725 4.927 1.00 0.00 N ATOM 0 H ARG B 78 0.942 14.485 2.553 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.659 15.335 3.616 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -0.319 16.978 4.863 1.00 0.00 H new ATOM 0 HB3 ARG B 78 0.257 15.349 5.155 1.00 0.00 H new ATOM 0 HG2 ARG B 78 2.061 15.737 3.442 1.00 0.00 H new ATOM 0 HG3 ARG B 78 1.519 17.398 3.303 1.00 0.00 H new ATOM 0 HD2 ARG B 78 1.903 17.668 5.790 1.00 0.00 H new ATOM 0 HD3 ARG B 78 2.582 16.053 5.817 1.00 0.00 H new ATOM 0 HE ARG B 78 3.750 18.090 3.973 1.00 0.00 H new ATOM 0 HH11 ARG B 78 4.049 16.016 6.826 1.00 0.00 H new ATOM 0 HH12 ARG B 78 5.801 16.219 6.924 1.00 0.00 H new ATOM 0 HH21 ARG B 78 5.988 18.330 4.106 1.00 0.00 H new ATOM 0 HH22 ARG B 78 6.894 17.524 5.391 1.00 0.00 H new ATOM 2172 N GLU B 79 -1.983 17.423 2.346 1.00 0.00 N ATOM 2173 CA GLU B 79 -2.297 18.540 1.480 1.00 0.00 C ATOM 2174 C GLU B 79 -1.833 19.834 2.133 1.00 0.00 C ATOM 2175 O GLU B 79 -2.343 20.232 3.182 1.00 0.00 O ATOM 2176 CB GLU B 79 -3.800 18.570 1.222 1.00 0.00 C ATOM 2177 CG GLU B 79 -4.214 19.421 0.040 1.00 0.00 C ATOM 2178 CD GLU B 79 -5.643 19.148 -0.365 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -5.881 18.142 -1.067 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -6.540 19.917 0.035 1.00 0.00 O ATOM 0 H GLU B 79 -2.687 17.238 3.061 1.00 0.00 H new ATOM 0 HA GLU B 79 -1.781 18.431 0.526 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -4.149 17.550 1.060 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -4.303 18.941 2.115 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -4.101 20.475 0.292 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -3.552 19.222 -0.803 1.00 0.00 H new ATOM 2187 N HIS B 80 -0.861 20.482 1.518 1.00 0.00 N ATOM 2188 CA HIS B 80 -0.261 21.677 2.090 1.00 0.00 C ATOM 2189 C HIS B 80 -0.904 22.915 1.481 1.00 0.00 C ATOM 2190 O HIS B 80 -0.272 23.643 0.715 1.00 0.00 O ATOM 2191 CB HIS B 80 1.252 21.679 1.838 1.00 0.00 C ATOM 2192 CG HIS B 80 2.025 22.643 2.691 1.00 0.00 C ATOM 2193 ND1 HIS B 80 3.044 22.244 3.521 1.00 0.00 N ATOM 2194 CD2 HIS B 80 1.942 23.988 2.822 1.00 0.00 C ATOM 2195 CE1 HIS B 80 3.552 23.297 4.129 1.00 0.00 C ATOM 2196 NE2 HIS B 80 2.906 24.372 3.723 1.00 0.00 N ATOM 0 H HIS B 80 -0.468 20.201 0.620 1.00 0.00 H new ATOM 0 HA HIS B 80 -0.431 21.685 3.167 1.00 0.00 H new ATOM 0 HB2 HIS B 80 1.637 20.674 2.008 1.00 0.00 H new ATOM 0 HB3 HIS B 80 1.432 21.916 0.790 1.00 0.00 H new ATOM 0 HD1 HIS B 80 3.359 21.282 3.647 1.00 0.00 H new ATOM 0 HD2 HIS B 80 1.247 24.639 2.313 1.00 0.00 H new ATOM 0 HE1 HIS B 80 4.363 23.282 4.842 1.00 0.00 H new ATOM 2205 N GLY B 81 -2.174 23.125 1.791 1.00 0.00 N ATOM 2206 CA GLY B 81 -2.888 24.246 1.226 1.00 0.00 C ATOM 2207 C GLY B 81 -3.224 23.996 -0.226 1.00 0.00 C ATOM 2208 O GLY B 81 -3.955 23.060 -0.542 1.00 0.00 O ATOM 0 H GLY B 81 -2.721 22.540 2.423 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -3.804 24.420 1.790 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -2.283 25.149 1.313 1.00 0.00 H new ATOM 2212 N PRO B 82 -2.690 24.816 -1.140 1.00 0.00 N ATOM 2213 CA PRO B 82 -2.828 24.585 -2.572 1.00 0.00 C ATOM 2214 C PRO B 82 -1.759 23.629 -3.096 1.00 0.00 C ATOM 2215 O PRO B 82 -1.762 23.257 -4.267 1.00 0.00 O ATOM 2216 CB PRO B 82 -2.635 25.981 -3.155 1.00 0.00 C ATOM 2217 CG PRO B 82 -1.690 26.653 -2.216 1.00 0.00 C ATOM 2218 CD PRO B 82 -1.930 26.050 -0.853 1.00 0.00 C ATOM 0 HA PRO B 82 -3.779 24.123 -2.838 1.00 0.00 H new ATOM 0 HB2 PRO B 82 -2.226 25.936 -4.164 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -3.581 26.519 -3.218 1.00 0.00 H new ATOM 0 HG2 PRO B 82 -0.658 26.500 -2.531 1.00 0.00 H new ATOM 0 HG3 PRO B 82 -1.862 27.729 -2.199 1.00 0.00 H new ATOM 0 HD2 PRO B 82 -0.992 25.832 -0.342 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -2.494 26.726 -0.210 1.00 0.00 H new ATOM 2226 N ASN B 83 -0.841 23.240 -2.214 1.00 0.00 N ATOM 2227 CA ASN B 83 0.259 22.356 -2.578 1.00 0.00 C ATOM 2228 C ASN B 83 -0.001 20.948 -2.060 1.00 0.00 C ATOM 2229 O ASN B 83 -0.920 20.730 -1.271 1.00 0.00 O ATOM 2230 CB ASN B 83 1.586 22.866 -2.000 1.00 0.00 C ATOM 2231 CG ASN B 83 1.939 24.281 -2.430 1.00 0.00 C ATOM 2232 OD1 ASN B 83 1.482 24.691 -3.604 1.00 0.00 O flip ATOM 2233 ND2 ASN B 83 2.623 25.006 -1.703 1.00 0.00 N flip ATOM 0 H ASN B 83 -0.840 23.527 -1.235 1.00 0.00 H new ATOM 0 HA ASN B 83 0.327 22.340 -3.666 1.00 0.00 H new ATOM 0 HB2 ASN B 83 1.536 22.829 -0.912 1.00 0.00 H new ATOM 0 HB3 ASN B 83 2.387 22.193 -2.305 1.00 0.00 H new ATOM 0 HD21 ASN B 83 2.958 24.657 -0.805 1.00 0.00 H new ATOM 0 HD22 ASN B 83 2.853 25.954 -2.000 1.00 0.00 H new ATOM 2240 N PHE B 84 0.819 19.999 -2.484 1.00 0.00 N ATOM 2241 CA PHE B 84 0.677 18.618 -2.045 1.00 0.00 C ATOM 2242 C PHE B 84 2.037 18.033 -1.684 1.00 0.00 C ATOM 2243 O PHE B 84 3.008 18.195 -2.429 1.00 0.00 O ATOM 2244 CB PHE B 84 0.008 17.784 -3.142 1.00 0.00 C ATOM 2245 CG PHE B 84 -0.248 16.353 -2.752 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -1.255 16.034 -1.854 1.00 0.00 C ATOM 2247 CD2 PHE B 84 0.518 15.328 -3.286 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.491 14.720 -1.494 1.00 0.00 C ATOM 2249 CE2 PHE B 84 0.285 14.013 -2.929 1.00 0.00 C ATOM 2250 CZ PHE B 84 -0.721 13.709 -2.033 1.00 0.00 C ATOM 0 H PHE B 84 1.590 20.159 -3.132 1.00 0.00 H new ATOM 0 HA PHE B 84 0.047 18.595 -1.156 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -0.939 18.251 -3.413 1.00 0.00 H new ATOM 0 HB3 PHE B 84 0.638 17.800 -4.032 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -1.862 16.821 -1.431 1.00 0.00 H new ATOM 0 HD2 PHE B 84 1.305 15.559 -3.988 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.277 14.485 -0.792 1.00 0.00 H new ATOM 0 HE2 PHE B 84 0.890 13.224 -3.351 1.00 0.00 H new ATOM 0 HZ PHE B 84 -0.905 12.682 -1.754 1.00 0.00 H new ATOM 2260 N GLU B 85 2.105 17.366 -0.538 1.00 0.00 N ATOM 2261 CA GLU B 85 3.337 16.731 -0.092 1.00 0.00 C ATOM 2262 C GLU B 85 3.120 15.240 0.123 1.00 0.00 C ATOM 2263 O GLU B 85 2.382 14.833 1.024 1.00 0.00 O ATOM 2264 CB GLU B 85 3.841 17.354 1.210 1.00 0.00 C ATOM 2265 CG GLU B 85 4.278 18.802 1.091 1.00 0.00 C ATOM 2266 CD GLU B 85 4.823 19.329 2.400 1.00 0.00 C ATOM 2267 OE1 GLU B 85 4.028 19.835 3.220 1.00 0.00 O ATOM 2268 OE2 GLU B 85 6.041 19.201 2.640 1.00 0.00 O ATOM 0 H GLU B 85 1.318 17.251 0.101 1.00 0.00 H new ATOM 0 HA GLU B 85 4.084 16.885 -0.870 1.00 0.00 H new ATOM 0 HB2 GLU B 85 3.052 17.287 1.959 1.00 0.00 H new ATOM 0 HB3 GLU B 85 4.680 16.764 1.578 1.00 0.00 H new ATOM 0 HG2 GLU B 85 5.041 18.890 0.317 1.00 0.00 H new ATOM 0 HG3 GLU B 85 3.432 19.413 0.776 1.00 0.00 H new ATOM 2275 N ALA B 86 3.754 14.430 -0.706 1.00 0.00 N ATOM 2276 CA ALA B 86 3.678 12.986 -0.565 1.00 0.00 C ATOM 2277 C ALA B 86 4.976 12.434 0.004 1.00 0.00 C ATOM 2278 O ALA B 86 5.979 12.333 -0.702 1.00 0.00 O ATOM 2279 CB ALA B 86 3.373 12.342 -1.905 1.00 0.00 C ATOM 0 H ALA B 86 4.329 14.748 -1.486 1.00 0.00 H new ATOM 0 HA ALA B 86 2.871 12.749 0.129 1.00 0.00 H new ATOM 0 HB1 ALA B 86 3.319 11.260 -1.785 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.419 12.714 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA B 86 4.162 12.589 -2.615 1.00 0.00 H new ATOM 2285 N VAL B 87 4.960 12.098 1.282 1.00 0.00 N ATOM 2286 CA VAL B 87 6.143 11.565 1.941 1.00 0.00 C ATOM 2287 C VAL B 87 6.048 10.048 2.056 1.00 0.00 C ATOM 2288 O VAL B 87 5.118 9.520 2.680 1.00 0.00 O ATOM 2289 CB VAL B 87 6.330 12.175 3.346 1.00 0.00 C ATOM 2290 CG1 VAL B 87 7.655 11.734 3.952 1.00 0.00 C ATOM 2291 CG2 VAL B 87 6.244 13.694 3.291 1.00 0.00 C ATOM 0 H VAL B 87 4.142 12.184 1.885 1.00 0.00 H new ATOM 0 HA VAL B 87 7.006 11.832 1.331 1.00 0.00 H new ATOM 0 HB VAL B 87 5.524 11.811 3.984 1.00 0.00 H new ATOM 0 HG11 VAL B 87 7.767 12.175 4.942 1.00 0.00 H new ATOM 0 HG12 VAL B 87 7.673 10.647 4.035 1.00 0.00 H new ATOM 0 HG13 VAL B 87 8.475 12.063 3.313 1.00 0.00 H new ATOM 0 HG21 VAL B 87 6.379 14.103 4.293 1.00 0.00 H new ATOM 0 HG22 VAL B 87 7.024 14.079 2.634 1.00 0.00 H new ATOM 0 HG23 VAL B 87 5.268 13.989 2.907 1.00 0.00 H new ATOM 2301 N ALA B 88 7.004 9.352 1.453 1.00 0.00 N ATOM 2302 CA ALA B 88 7.006 7.899 1.441 1.00 0.00 C ATOM 2303 C ALA B 88 8.369 7.338 1.842 1.00 0.00 C ATOM 2304 O ALA B 88 9.399 8.004 1.708 1.00 0.00 O ATOM 2305 CB ALA B 88 6.610 7.387 0.064 1.00 0.00 C ATOM 0 H ALA B 88 7.792 9.776 0.963 1.00 0.00 H new ATOM 0 HA ALA B 88 6.276 7.556 2.175 1.00 0.00 H new ATOM 0 HB1 ALA B 88 6.615 6.297 0.066 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.611 7.745 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.320 7.752 -0.678 1.00 0.00 H new ATOM 2311 N GLU B 89 8.362 6.105 2.322 1.00 0.00 N ATOM 2312 CA GLU B 89 9.579 5.422 2.737 1.00 0.00 C ATOM 2313 C GLU B 89 10.007 4.440 1.650 1.00 0.00 C ATOM 2314 O GLU B 89 9.169 3.749 1.077 1.00 0.00 O ATOM 2315 CB GLU B 89 9.328 4.645 4.033 1.00 0.00 C ATOM 2316 CG GLU B 89 8.649 5.450 5.131 1.00 0.00 C ATOM 2317 CD GLU B 89 8.257 4.594 6.325 1.00 0.00 C ATOM 2318 OE1 GLU B 89 7.233 3.876 6.242 1.00 0.00 O ATOM 2319 OE2 GLU B 89 8.967 4.633 7.352 1.00 0.00 O ATOM 0 H GLU B 89 7.514 5.549 2.435 1.00 0.00 H new ATOM 0 HA GLU B 89 10.361 6.163 2.901 1.00 0.00 H new ATOM 0 HB2 GLU B 89 8.713 3.774 3.806 1.00 0.00 H new ATOM 0 HB3 GLU B 89 10.281 4.273 4.409 1.00 0.00 H new ATOM 0 HG2 GLU B 89 9.319 6.244 5.462 1.00 0.00 H new ATOM 0 HG3 GLU B 89 7.759 5.932 4.726 1.00 0.00 H new ATOM 2326 N VAL B 90 11.303 4.379 1.367 1.00 0.00 N ATOM 2327 CA VAL B 90 11.828 3.457 0.363 1.00 0.00 C ATOM 2328 C VAL B 90 12.374 2.199 1.030 1.00 0.00 C ATOM 2329 O VAL B 90 13.262 2.276 1.882 1.00 0.00 O ATOM 2330 CB VAL B 90 12.944 4.110 -0.483 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.461 3.146 -1.543 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.446 5.393 -1.125 1.00 0.00 C ATOM 0 H VAL B 90 12.012 4.957 1.819 1.00 0.00 H new ATOM 0 HA VAL B 90 11.002 3.195 -0.298 1.00 0.00 H new ATOM 0 HB VAL B 90 13.772 4.355 0.182 1.00 0.00 H new ATOM 0 HG11 VAL B 90 14.245 3.631 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL B 90 13.865 2.256 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.643 2.860 -2.205 1.00 0.00 H new ATOM 0 HG21 VAL B 90 13.246 5.838 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.597 5.171 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL B 90 12.137 6.092 -0.348 1.00 0.00 H new ATOM 2342 N TYR B 91 11.850 1.048 0.640 1.00 0.00 N ATOM 2343 CA TYR B 91 12.241 -0.213 1.248 1.00 0.00 C ATOM 2344 C TYR B 91 12.700 -1.230 0.211 1.00 0.00 C ATOM 2345 O TYR B 91 12.267 -1.219 -0.945 1.00 0.00 O ATOM 2346 CB TYR B 91 11.081 -0.810 2.047 1.00 0.00 C ATOM 2347 CG TYR B 91 10.852 -0.158 3.391 1.00 0.00 C ATOM 2348 CD1 TYR B 91 11.524 -0.608 4.518 1.00 0.00 C ATOM 2349 CD2 TYR B 91 9.957 0.891 3.536 1.00 0.00 C ATOM 2350 CE1 TYR B 91 11.311 -0.033 5.753 1.00 0.00 C ATOM 2351 CE2 TYR B 91 9.741 1.476 4.769 1.00 0.00 C ATOM 2352 CZ TYR B 91 10.419 1.009 5.875 1.00 0.00 C ATOM 2353 OH TYR B 91 10.198 1.578 7.107 1.00 0.00 O ATOM 0 H TYR B 91 11.151 0.961 -0.097 1.00 0.00 H new ATOM 0 HA TYR B 91 13.077 0.006 1.912 1.00 0.00 H new ATOM 0 HB2 TYR B 91 10.168 -0.729 1.456 1.00 0.00 H new ATOM 0 HB3 TYR B 91 11.269 -1.873 2.199 1.00 0.00 H new ATOM 0 HD1 TYR B 91 12.226 -1.423 4.426 1.00 0.00 H new ATOM 0 HD2 TYR B 91 9.421 1.256 2.673 1.00 0.00 H new ATOM 0 HE1 TYR B 91 11.841 -0.398 6.620 1.00 0.00 H new ATOM 0 HE2 TYR B 91 9.044 2.295 4.866 1.00 0.00 H new ATOM 0 HH TYR B 91 9.834 2.480 6.990 1.00 0.00 H new ATOM 2363 N ASN B 92 13.596 -2.095 0.646 1.00 0.00 N ATOM 2364 CA ASN B 92 14.000 -3.264 -0.111 1.00 0.00 C ATOM 2365 C ASN B 92 14.303 -4.372 0.897 1.00 0.00 C ATOM 2366 O ASN B 92 14.035 -4.212 2.088 1.00 0.00 O ATOM 2367 CB ASN B 92 15.235 -2.954 -0.976 1.00 0.00 C ATOM 2368 CG ASN B 92 15.410 -3.916 -2.146 1.00 0.00 C ATOM 2369 OD1 ASN B 92 14.969 -5.063 -2.110 1.00 0.00 O ATOM 2370 ND2 ASN B 92 16.065 -3.458 -3.197 1.00 0.00 N ATOM 0 H ASN B 92 14.069 -2.005 1.545 1.00 0.00 H new ATOM 0 HA ASN B 92 13.207 -3.574 -0.792 1.00 0.00 H new ATOM 0 HB2 ASN B 92 15.155 -1.937 -1.360 1.00 0.00 H new ATOM 0 HB3 ASN B 92 16.126 -2.989 -0.350 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.216 -4.060 -4.006 1.00 0.00 H new ATOM 0 HD22 ASN B 92 16.420 -2.502 -3.200 1.00 0.00 H new ATOM 2377 N ASP B 93 14.838 -5.481 0.438 1.00 0.00 N ATOM 2378 CA ASP B 93 15.203 -6.573 1.322 1.00 0.00 C ATOM 2379 C ASP B 93 16.672 -6.930 1.150 1.00 0.00 C ATOM 2380 O ASP B 93 17.191 -6.949 0.032 1.00 0.00 O ATOM 2381 CB ASP B 93 14.322 -7.794 1.054 1.00 0.00 C ATOM 2382 CG ASP B 93 14.909 -9.059 1.638 1.00 0.00 C ATOM 2383 OD1 ASP B 93 14.914 -9.205 2.880 1.00 0.00 O ATOM 2384 OD2 ASP B 93 15.419 -9.885 0.852 1.00 0.00 O ATOM 0 H ASP B 93 15.032 -5.654 -0.548 1.00 0.00 H new ATOM 0 HA ASP B 93 15.045 -6.251 2.351 1.00 0.00 H new ATOM 0 HB2 ASP B 93 13.332 -7.626 1.477 1.00 0.00 H new ATOM 0 HB3 ASP B 93 14.192 -7.918 -0.021 1.00 0.00 H new ATOM 2389 N ALA B 94 17.338 -7.209 2.259 1.00 0.00 N ATOM 2390 CA ALA B 94 18.749 -7.565 2.235 1.00 0.00 C ATOM 2391 C ALA B 94 18.926 -9.079 2.264 1.00 0.00 C ATOM 2392 O ALA B 94 19.993 -9.599 1.934 1.00 0.00 O ATOM 2393 CB ALA B 94 19.478 -6.922 3.405 1.00 0.00 C ATOM 0 H ALA B 94 16.923 -7.196 3.191 1.00 0.00 H new ATOM 0 HA ALA B 94 19.180 -7.189 1.307 1.00 0.00 H new ATOM 0 HB1 ALA B 94 20.532 -7.198 3.373 1.00 0.00 H new ATOM 0 HB2 ALA B 94 19.385 -5.838 3.341 1.00 0.00 H new ATOM 0 HB3 ALA B 94 19.041 -7.269 4.341 1.00 0.00 H new