USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1102 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 45 GLN : amide:sc= -0.404 K(o=0.28,f=-1.6) USER MOD Set 1.2: B 49 GLN : amide:sc= 0.681 K(o=0.28,f=-1) USER MOD Set 2.1: A 24 GLN : amide:sc= 1.28 K(o=0.61,f=-4.4!) USER MOD Set 2.2: A 73 HIS : no HE2:sc= -0.697 K(o=0.61,f=0.023) USER MOD Set 2.3: B 26 SER OG : rot 104:sc= 0.0351 USER MOD Set 3.1: A 52 SER OG : rot 180:sc= -0.672 USER MOD Set 3.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 83 ASN : amide:sc= -1.74! K(o=-1.7!,f=0.51) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= -0.0442 (180deg=-0.418) USER MOD Single : A 28 GLN : amide:sc= -0.847! C(o=-0.85!,f=-5.9!) USER MOD Single : A 31 SER OG : rot 78:sc= 1.18 USER MOD Single : A 32 HIS : no HD1:sc= -1.44! C(o=-1.4!,f=-3.5!) USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0.926) USER MOD Single : A 37 LYS NZ :NH3+ 131:sc= 1.18 (180deg=0.69) USER MOD Single : A 40 THR OG1 : rot -78:sc= 1.29 USER MOD Single : A 42 ASN : amide:sc= -0.575 X(o=-0.57,f=-0.41) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.59 K(o=-0.59,f=-2.2) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 51 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 95:sc= 1.34 USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= -0.0231 (180deg=-0.159) USER MOD Single : A 70 LYS NZ :NH3+ -169:sc=-0.00835 (180deg=-0.148) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 150:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -0.327 K(o=-0.33,f=-6.5!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc=-0.00303 K(o=-0.003,f=-3.2!) USER MOD Single : B 24 GLN : amide:sc= 0.63 K(o=0.63,f=-1.6!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 GLN : amide:sc= 0.849 K(o=0.85,f=-8.1!) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -163:sc= 0.228 (180deg=0.13) USER MOD Single : B 37 LYS NZ :NH3+ -96:sc= 1.24 (180deg=0.453) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 ASN : amide:sc= -0.0609 K(o=-0.061,f=-1.4) USER MOD Single : B 44 SER OG : rot 180:sc= -0.0863 USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 159:sc= -0.133 (180deg=-0.61) USER MOD Single : B 61 SER OG : rot -81:sc= 0.472 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ 154:sc= 0.369 (180deg=-0.233) USER MOD Single : B 71 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 TYR OH : rot 180:sc= 0.246 USER MOD Single : B 73 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.014) USER MOD Single : B 80 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.4!) USER MOD Single : B 83 ASN : amide:sc= -0.148 K(o=-0.15,f=-4.5!) USER MOD Single : B 91 TYR OH : rot 108:sc= 0.0137 USER MOD Single : B 92 ASN : amide:sc= -0.657 K(o=-0.66,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -6.404 -5.429 -8.365 1.00 0.00 N ATOM 2 CA ALA A 22 -6.615 -4.472 -7.260 1.00 0.00 C ATOM 3 C ALA A 22 -5.293 -4.155 -6.575 1.00 0.00 C ATOM 4 O ALA A 22 -4.475 -5.045 -6.345 1.00 0.00 O ATOM 5 CB ALA A 22 -7.614 -5.032 -6.258 1.00 0.00 C ATOM 0 HA ALA A 22 -7.021 -3.548 -7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.759 -4.315 -5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.566 -5.214 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.233 -5.968 -5.849 1.00 0.00 H new ATOM 13 N GLU A 23 -5.087 -2.885 -6.255 1.00 0.00 N ATOM 14 CA GLU A 23 -3.844 -2.436 -5.641 1.00 0.00 C ATOM 15 C GLU A 23 -4.072 -2.065 -4.179 1.00 0.00 C ATOM 16 O GLU A 23 -5.192 -1.727 -3.786 1.00 0.00 O ATOM 17 CB GLU A 23 -3.294 -1.220 -6.394 1.00 0.00 C ATOM 18 CG GLU A 23 -3.000 -1.476 -7.866 1.00 0.00 C ATOM 19 CD GLU A 23 -1.871 -2.463 -8.076 1.00 0.00 C ATOM 20 OE1 GLU A 23 -0.702 -2.096 -7.829 1.00 0.00 O ATOM 21 OE2 GLU A 23 -2.143 -3.607 -8.495 1.00 0.00 O ATOM 0 H GLU A 23 -5.769 -2.143 -6.411 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.123 -3.252 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.012 -0.403 -6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.378 -0.888 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.900 -1.852 -8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.747 -0.533 -8.351 1.00 0.00 H new ATOM 28 N GLN A 24 -3.021 -2.136 -3.372 1.00 0.00 N ATOM 29 CA GLN A 24 -3.106 -1.675 -1.996 1.00 0.00 C ATOM 30 C GLN A 24 -2.675 -0.221 -1.906 1.00 0.00 C ATOM 31 O GLN A 24 -1.596 0.150 -2.374 1.00 0.00 O ATOM 32 CB GLN A 24 -2.252 -2.521 -1.044 1.00 0.00 C ATOM 33 CG GLN A 24 -2.347 -2.033 0.397 1.00 0.00 C ATOM 34 CD GLN A 24 -1.546 -2.849 1.395 1.00 0.00 C ATOM 35 OE1 GLN A 24 -1.936 -2.956 2.557 1.00 0.00 O ATOM 36 NE2 GLN A 24 -0.428 -3.413 0.967 1.00 0.00 N ATOM 0 H GLN A 24 -2.110 -2.505 -3.644 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.146 -1.777 -1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.574 -3.561 -1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.212 -2.492 -1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.008 -0.998 0.439 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.394 -2.039 0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.139 -3.300 -0.005 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.145 -3.961 1.609 1.00 0.00 H new ATOM 45 N VAL A 25 -3.527 0.594 -1.312 1.00 0.00 N ATOM 46 CA VAL A 25 -3.229 2.003 -1.118 1.00 0.00 C ATOM 47 C VAL A 25 -3.102 2.325 0.367 1.00 0.00 C ATOM 48 O VAL A 25 -3.515 1.535 1.228 1.00 0.00 O ATOM 49 CB VAL A 25 -4.308 2.907 -1.756 1.00 0.00 C ATOM 50 CG1 VAL A 25 -4.254 2.814 -3.273 1.00 0.00 C ATOM 51 CG2 VAL A 25 -5.693 2.534 -1.247 1.00 0.00 C ATOM 0 H VAL A 25 -4.436 0.303 -0.953 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.279 2.204 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.104 3.938 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.021 3.457 -3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.273 3.135 -3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.430 1.783 -3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.437 3.183 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.907 1.496 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.728 2.655 -0.164 1.00 0.00 H new ATOM 61 N SER A 26 -2.518 3.472 0.665 1.00 0.00 N ATOM 62 CA SER A 26 -2.357 3.917 2.034 1.00 0.00 C ATOM 63 C SER A 26 -3.678 4.461 2.569 1.00 0.00 C ATOM 64 O SER A 26 -4.538 4.904 1.806 1.00 0.00 O ATOM 65 CB SER A 26 -1.266 4.991 2.116 1.00 0.00 C ATOM 66 OG SER A 26 -1.053 5.413 3.455 1.00 0.00 O ATOM 0 H SER A 26 -2.145 4.116 -0.032 1.00 0.00 H new ATOM 0 HA SER A 26 -2.056 3.067 2.647 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.336 4.599 1.704 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.550 5.847 1.504 1.00 0.00 H new ATOM 0 HG SER A 26 -0.351 6.096 3.475 1.00 0.00 H new ATOM 72 N LYS A 27 -3.826 4.430 3.887 1.00 0.00 N ATOM 73 CA LYS A 27 -5.037 4.903 4.545 1.00 0.00 C ATOM 74 C LYS A 27 -5.263 6.387 4.254 1.00 0.00 C ATOM 75 O LYS A 27 -6.403 6.854 4.177 1.00 0.00 O ATOM 76 CB LYS A 27 -4.928 4.647 6.052 1.00 0.00 C ATOM 77 CG LYS A 27 -6.090 5.184 6.870 1.00 0.00 C ATOM 78 CD LYS A 27 -5.970 4.760 8.323 1.00 0.00 C ATOM 79 CE LYS A 27 -6.960 5.497 9.209 1.00 0.00 C ATOM 80 NZ LYS A 27 -6.696 6.960 9.239 1.00 0.00 N ATOM 0 H LYS A 27 -3.114 4.078 4.527 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.897 4.357 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.848 3.573 6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.005 5.096 6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.114 6.272 6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.030 4.819 6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.139 3.686 8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.956 4.950 8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.973 5.318 8.848 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.908 5.098 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.143 7.376 10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.670 7.127 9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.090 7.401 8.384 1.00 0.00 H new ATOM 94 N GLN A 28 -4.170 7.112 4.060 1.00 0.00 N ATOM 95 CA GLN A 28 -4.239 8.527 3.732 1.00 0.00 C ATOM 96 C GLN A 28 -4.763 8.730 2.314 1.00 0.00 C ATOM 97 O GLN A 28 -5.512 9.667 2.052 1.00 0.00 O ATOM 98 CB GLN A 28 -2.865 9.176 3.893 1.00 0.00 C ATOM 99 CG GLN A 28 -2.396 9.242 5.337 1.00 0.00 C ATOM 100 CD GLN A 28 -0.999 9.810 5.471 1.00 0.00 C ATOM 101 OE1 GLN A 28 -0.813 11.023 5.578 1.00 0.00 O ATOM 102 NE2 GLN A 28 -0.006 8.938 5.481 1.00 0.00 N ATOM 0 H GLN A 28 -3.222 6.741 4.125 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.934 9.006 4.422 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.136 8.617 3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.897 10.185 3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.090 9.855 5.913 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.420 8.242 5.769 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.202 7.941 5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.956 9.262 5.580 1.00 0.00 H new ATOM 111 N GLU A 29 -4.389 7.830 1.410 1.00 0.00 N ATOM 112 CA GLU A 29 -4.852 7.899 0.028 1.00 0.00 C ATOM 113 C GLU A 29 -6.352 7.645 -0.027 1.00 0.00 C ATOM 114 O GLU A 29 -7.095 8.374 -0.685 1.00 0.00 O ATOM 115 CB GLU A 29 -4.113 6.879 -0.838 1.00 0.00 C ATOM 116 CG GLU A 29 -2.616 7.124 -0.924 1.00 0.00 C ATOM 117 CD GLU A 29 -1.899 6.049 -1.714 1.00 0.00 C ATOM 118 OE1 GLU A 29 -1.835 6.161 -2.953 1.00 0.00 O ATOM 119 OE2 GLU A 29 -1.406 5.086 -1.090 1.00 0.00 O ATOM 0 H GLU A 29 -3.768 7.046 1.609 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.643 8.895 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.287 5.881 -0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.534 6.896 -1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.435 8.094 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.200 7.170 0.082 1.00 0.00 H new ATOM 126 N ILE A 30 -6.785 6.619 0.696 1.00 0.00 N ATOM 127 CA ILE A 30 -8.201 6.272 0.797 1.00 0.00 C ATOM 128 C ILE A 30 -9.022 7.473 1.262 1.00 0.00 C ATOM 129 O ILE A 30 -10.100 7.754 0.733 1.00 0.00 O ATOM 130 CB ILE A 30 -8.409 5.112 1.795 1.00 0.00 C ATOM 131 CG1 ILE A 30 -7.547 3.913 1.402 1.00 0.00 C ATOM 132 CG2 ILE A 30 -9.879 4.716 1.861 1.00 0.00 C ATOM 133 CD1 ILE A 30 -7.509 2.821 2.448 1.00 0.00 C ATOM 0 H ILE A 30 -6.168 6.005 1.228 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.535 5.965 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.103 5.450 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.924 3.496 0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.530 4.255 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.004 3.897 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.472 5.571 2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.214 4.396 0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.878 2.004 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.103 3.221 3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.519 2.450 2.624 1.00 0.00 H new ATOM 145 N SER A 31 -8.480 8.189 2.235 1.00 0.00 N ATOM 146 CA SER A 31 -9.173 9.311 2.844 1.00 0.00 C ATOM 147 C SER A 31 -9.036 10.581 2.001 1.00 0.00 C ATOM 148 O SER A 31 -9.838 11.507 2.124 1.00 0.00 O ATOM 149 CB SER A 31 -8.615 9.546 4.248 1.00 0.00 C ATOM 150 OG SER A 31 -8.600 8.339 4.998 1.00 0.00 O ATOM 0 H SER A 31 -7.553 8.010 2.622 1.00 0.00 H new ATOM 0 HA SER A 31 -10.234 9.070 2.903 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.604 9.948 4.179 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.220 10.292 4.764 1.00 0.00 H new ATOM 0 HG SER A 31 -7.842 7.787 4.714 1.00 0.00 H new ATOM 156 N HIS A 32 -8.023 10.627 1.142 1.00 0.00 N ATOM 157 CA HIS A 32 -7.778 11.811 0.324 1.00 0.00 C ATOM 158 C HIS A 32 -8.573 11.735 -0.976 1.00 0.00 C ATOM 159 O HIS A 32 -9.078 12.745 -1.467 1.00 0.00 O ATOM 160 CB HIS A 32 -6.284 11.955 0.013 1.00 0.00 C ATOM 161 CG HIS A 32 -5.842 13.372 -0.210 1.00 0.00 C ATOM 162 ND1 HIS A 32 -5.006 14.037 0.658 1.00 0.00 N ATOM 163 CD2 HIS A 32 -6.120 14.251 -1.203 1.00 0.00 C ATOM 164 CE1 HIS A 32 -4.789 15.259 0.214 1.00 0.00 C ATOM 165 NE2 HIS A 32 -5.453 15.419 -0.916 1.00 0.00 N ATOM 0 H HIS A 32 -7.362 9.864 0.994 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.104 12.685 0.888 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.709 11.531 0.836 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.050 11.368 -0.875 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.749 14.068 -2.061 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.172 16.004 0.694 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.469 16.268 -1.482 1.00 0.00 H new ATOM 174 N PHE A 33 -8.675 10.536 -1.531 1.00 0.00 N ATOM 175 CA PHE A 33 -9.405 10.335 -2.774 1.00 0.00 C ATOM 176 C PHE A 33 -10.860 9.966 -2.504 1.00 0.00 C ATOM 177 O PHE A 33 -11.684 9.997 -3.414 1.00 0.00 O ATOM 178 CB PHE A 33 -8.739 9.249 -3.623 1.00 0.00 C ATOM 179 CG PHE A 33 -7.394 9.645 -4.170 1.00 0.00 C ATOM 180 CD1 PHE A 33 -7.301 10.463 -5.285 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.226 9.195 -3.576 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.068 10.826 -5.795 1.00 0.00 C ATOM 183 CE2 PHE A 33 -4.991 9.555 -4.081 1.00 0.00 C ATOM 184 CZ PHE A 33 -4.912 10.372 -5.192 1.00 0.00 C ATOM 0 H PHE A 33 -8.262 9.689 -1.141 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.385 11.275 -3.325 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.625 8.348 -3.020 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.398 8.995 -4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.202 10.821 -5.761 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.281 8.555 -2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.009 11.464 -6.664 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.088 9.198 -3.607 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.948 10.655 -5.588 1.00 0.00 H new ATOM 194 N LYS A 34 -11.161 9.628 -1.250 1.00 0.00 N ATOM 195 CA LYS A 34 -12.511 9.232 -0.845 1.00 0.00 C ATOM 196 C LYS A 34 -12.941 7.946 -1.541 1.00 0.00 C ATOM 197 O LYS A 34 -13.565 7.974 -2.604 1.00 0.00 O ATOM 198 CB LYS A 34 -13.537 10.341 -1.116 1.00 0.00 C ATOM 199 CG LYS A 34 -13.838 11.223 0.085 1.00 0.00 C ATOM 200 CD LYS A 34 -12.617 11.993 0.554 1.00 0.00 C ATOM 201 CE LYS A 34 -12.944 12.848 1.767 1.00 0.00 C ATOM 202 NZ LYS A 34 -11.754 13.584 2.262 1.00 0.00 N ATOM 0 H LYS A 34 -10.481 9.621 -0.490 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.477 9.056 0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.171 10.968 -1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.466 9.885 -1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.631 11.925 -0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.212 10.606 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.816 11.296 0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.250 12.627 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.729 13.559 1.509 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.336 12.215 2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.931 13.918 3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.928 12.951 2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.568 14.399 1.643 1.00 0.00 H new ATOM 216 N LEU A 35 -12.585 6.821 -0.947 1.00 0.00 N ATOM 217 CA LEU A 35 -12.968 5.526 -1.482 1.00 0.00 C ATOM 218 C LEU A 35 -14.088 4.921 -0.651 1.00 0.00 C ATOM 219 O LEU A 35 -14.064 4.984 0.580 1.00 0.00 O ATOM 220 CB LEU A 35 -11.766 4.583 -1.514 1.00 0.00 C ATOM 221 CG LEU A 35 -10.626 5.017 -2.436 1.00 0.00 C ATOM 222 CD1 LEU A 35 -9.447 4.065 -2.307 1.00 0.00 C ATOM 223 CD2 LEU A 35 -11.106 5.082 -3.880 1.00 0.00 C ATOM 0 H LEU A 35 -12.030 6.778 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.326 5.667 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.375 4.483 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.107 3.595 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.298 6.013 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.644 4.388 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.090 4.066 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.761 3.058 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.283 5.392 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.459 4.099 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.921 5.802 -3.961 1.00 0.00 H new ATOM 235 N VAL A 36 -15.066 4.344 -1.328 1.00 0.00 N ATOM 236 CA VAL A 36 -16.203 3.733 -0.662 1.00 0.00 C ATOM 237 C VAL A 36 -15.814 2.374 -0.097 1.00 0.00 C ATOM 238 O VAL A 36 -15.154 1.578 -0.771 1.00 0.00 O ATOM 239 CB VAL A 36 -17.398 3.566 -1.627 1.00 0.00 C ATOM 240 CG1 VAL A 36 -18.594 2.958 -0.909 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.772 4.903 -2.251 1.00 0.00 C ATOM 0 H VAL A 36 -15.095 4.286 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.505 4.395 0.150 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.098 2.885 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.422 2.850 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.322 1.979 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.895 3.609 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.615 4.765 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.048 5.607 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.921 5.296 -2.807 1.00 0.00 H new ATOM 251 N LYS A 37 -16.208 2.124 1.142 1.00 0.00 N ATOM 252 CA LYS A 37 -15.920 0.861 1.797 1.00 0.00 C ATOM 253 C LYS A 37 -16.825 -0.231 1.236 1.00 0.00 C ATOM 254 O LYS A 37 -18.039 -0.222 1.453 1.00 0.00 O ATOM 255 CB LYS A 37 -16.115 1.009 3.305 1.00 0.00 C ATOM 256 CG LYS A 37 -15.485 -0.103 4.125 1.00 0.00 C ATOM 257 CD LYS A 37 -15.505 0.247 5.602 1.00 0.00 C ATOM 258 CE LYS A 37 -14.686 -0.728 6.428 1.00 0.00 C ATOM 259 NZ LYS A 37 -15.377 -2.029 6.614 1.00 0.00 N ATOM 0 H LYS A 37 -16.731 2.785 1.716 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.884 0.578 1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.694 1.963 3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.183 1.044 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.025 -1.035 3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.458 -0.267 3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.116 1.256 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.535 0.250 5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.725 -0.896 5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.476 -0.288 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.723 -2.805 6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.689 -2.118 7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.204 -2.076 5.985 1.00 0.00 H new ATOM 273 N VAL A 38 -16.229 -1.153 0.497 1.00 0.00 N ATOM 274 CA VAL A 38 -16.980 -2.204 -0.172 1.00 0.00 C ATOM 275 C VAL A 38 -17.206 -3.391 0.759 1.00 0.00 C ATOM 276 O VAL A 38 -18.233 -4.063 0.684 1.00 0.00 O ATOM 277 CB VAL A 38 -16.252 -2.680 -1.451 1.00 0.00 C ATOM 278 CG1 VAL A 38 -17.057 -3.747 -2.179 1.00 0.00 C ATOM 279 CG2 VAL A 38 -15.973 -1.503 -2.374 1.00 0.00 C ATOM 0 H VAL A 38 -15.221 -1.195 0.345 1.00 0.00 H new ATOM 0 HA VAL A 38 -17.946 -1.785 -0.452 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.302 -3.122 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -16.519 -4.061 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.202 -4.605 -1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -18.027 -3.340 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.460 -1.856 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.914 -1.032 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.344 -0.777 -1.858 1.00 0.00 H new ATOM 289 N GLY A 39 -16.253 -3.640 1.644 1.00 0.00 N ATOM 290 CA GLY A 39 -16.366 -4.771 2.541 1.00 0.00 C ATOM 291 C GLY A 39 -15.036 -5.164 3.140 1.00 0.00 C ATOM 292 O GLY A 39 -14.046 -4.448 2.989 1.00 0.00 O ATOM 0 H GLY A 39 -15.407 -3.082 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.065 -4.528 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.783 -5.620 2.000 1.00 0.00 H new ATOM 296 N THR A 40 -15.010 -6.307 3.806 1.00 0.00 N ATOM 297 CA THR A 40 -13.795 -6.811 4.424 1.00 0.00 C ATOM 298 C THR A 40 -13.439 -8.182 3.853 1.00 0.00 C ATOM 299 O THR A 40 -14.324 -9.000 3.592 1.00 0.00 O ATOM 300 CB THR A 40 -13.969 -6.931 5.952 1.00 0.00 C ATOM 301 OG1 THR A 40 -14.596 -5.748 6.470 1.00 0.00 O ATOM 302 CG2 THR A 40 -12.627 -7.137 6.641 1.00 0.00 C ATOM 0 H THR A 40 -15.825 -6.908 3.933 1.00 0.00 H new ATOM 0 HA THR A 40 -12.992 -6.106 4.209 1.00 0.00 H new ATOM 0 HB THR A 40 -14.599 -7.798 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.934 -5.028 6.533 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.779 -7.218 7.717 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.164 -8.051 6.270 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.976 -6.289 6.430 1.00 0.00 H new ATOM 310 N ILE A 41 -12.154 -8.425 3.640 1.00 0.00 N ATOM 311 CA ILE A 41 -11.691 -9.716 3.154 1.00 0.00 C ATOM 312 C ILE A 41 -10.619 -10.279 4.077 1.00 0.00 C ATOM 313 O ILE A 41 -9.667 -9.586 4.442 1.00 0.00 O ATOM 314 CB ILE A 41 -11.149 -9.634 1.708 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.082 -8.541 1.583 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.289 -9.385 0.733 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.490 -8.421 0.195 1.00 0.00 C ATOM 0 H ILE A 41 -11.412 -7.743 3.797 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.553 -10.384 3.148 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.681 -10.587 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.521 -7.584 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.281 -8.746 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.894 -9.329 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.008 -10.201 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.782 -8.446 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.743 -7.627 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.020 -9.365 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.280 -8.185 -0.518 1.00 0.00 H new ATOM 329 N ASN A 42 -10.788 -11.530 4.470 1.00 0.00 N ATOM 330 CA ASN A 42 -9.855 -12.173 5.384 1.00 0.00 C ATOM 331 C ASN A 42 -9.224 -13.392 4.736 1.00 0.00 C ATOM 332 O ASN A 42 -9.925 -14.299 4.281 1.00 0.00 O ATOM 333 CB ASN A 42 -10.565 -12.602 6.669 1.00 0.00 C ATOM 334 CG ASN A 42 -9.636 -13.315 7.635 1.00 0.00 C ATOM 335 OD1 ASN A 42 -8.472 -12.946 7.796 1.00 0.00 O ATOM 336 ND2 ASN A 42 -10.132 -14.372 8.257 1.00 0.00 N ATOM 0 H ASN A 42 -11.563 -12.122 4.171 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.077 -11.449 5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.988 -11.724 7.157 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.398 -13.259 6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.545 -14.911 8.894 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.101 -14.648 8.099 1.00 0.00 H new ATOM 343 N VAL A 43 -7.905 -13.404 4.685 1.00 0.00 N ATOM 344 CA VAL A 43 -7.186 -14.578 4.236 1.00 0.00 C ATOM 345 C VAL A 43 -6.635 -15.319 5.445 1.00 0.00 C ATOM 346 O VAL A 43 -5.627 -14.920 6.023 1.00 0.00 O ATOM 347 CB VAL A 43 -6.029 -14.213 3.278 1.00 0.00 C ATOM 348 CG1 VAL A 43 -5.337 -15.465 2.761 1.00 0.00 C ATOM 349 CG2 VAL A 43 -6.540 -13.369 2.121 1.00 0.00 C ATOM 0 H VAL A 43 -7.313 -12.616 4.948 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.882 -15.212 3.686 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.298 -13.628 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.527 -15.182 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.932 -16.030 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.056 -16.082 2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.711 -13.122 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.294 -13.929 1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.981 -12.451 2.508 1.00 0.00 H new ATOM 359 N SER A 44 -7.316 -16.386 5.830 1.00 0.00 N ATOM 360 CA SER A 44 -6.913 -17.175 6.981 1.00 0.00 C ATOM 361 C SER A 44 -6.416 -18.536 6.512 1.00 0.00 C ATOM 362 O SER A 44 -7.213 -19.415 6.179 1.00 0.00 O ATOM 363 CB SER A 44 -8.095 -17.329 7.950 1.00 0.00 C ATOM 364 OG SER A 44 -7.725 -18.032 9.126 1.00 0.00 O ATOM 0 H SER A 44 -8.154 -16.726 5.359 1.00 0.00 H new ATOM 0 HA SER A 44 -6.104 -16.669 7.508 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.474 -16.343 8.220 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.907 -17.857 7.451 1.00 0.00 H new ATOM 0 HG SER A 44 -8.501 -18.109 9.719 1.00 0.00 H new ATOM 370 N GLN A 45 -5.104 -18.700 6.455 1.00 0.00 N ATOM 371 CA GLN A 45 -4.517 -19.920 5.916 1.00 0.00 C ATOM 372 C GLN A 45 -3.582 -20.574 6.925 1.00 0.00 C ATOM 373 O GLN A 45 -2.954 -19.895 7.735 1.00 0.00 O ATOM 374 CB GLN A 45 -3.759 -19.618 4.619 1.00 0.00 C ATOM 375 CG GLN A 45 -4.625 -18.985 3.537 1.00 0.00 C ATOM 376 CD GLN A 45 -5.815 -19.847 3.152 1.00 0.00 C ATOM 377 OE1 GLN A 45 -5.753 -21.075 3.206 1.00 0.00 O ATOM 378 NE2 GLN A 45 -6.906 -19.210 2.758 1.00 0.00 N ATOM 0 H GLN A 45 -4.426 -18.008 6.774 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.329 -20.616 5.702 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.926 -18.951 4.842 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.331 -20.544 4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.982 -18.016 3.886 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.015 -18.800 2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.918 -18.191 2.727 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.735 -19.738 2.486 1.00 0.00 H new ATOM 387 N SER A 46 -3.490 -21.894 6.857 1.00 0.00 N ATOM 388 CA SER A 46 -2.639 -22.663 7.754 1.00 0.00 C ATOM 389 C SER A 46 -1.236 -22.827 7.160 1.00 0.00 C ATOM 390 O SER A 46 -0.571 -23.843 7.372 1.00 0.00 O ATOM 391 CB SER A 46 -3.271 -24.035 7.997 1.00 0.00 C ATOM 392 OG SER A 46 -4.646 -23.912 8.327 1.00 0.00 O ATOM 0 H SER A 46 -4.001 -22.461 6.181 1.00 0.00 H new ATOM 0 HA SER A 46 -2.547 -22.130 8.700 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.161 -24.653 7.106 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.744 -24.544 8.804 1.00 0.00 H new ATOM 0 HG SER A 46 -5.028 -24.802 8.476 1.00 0.00 H new ATOM 398 N GLY A 47 -0.792 -21.818 6.422 1.00 0.00 N ATOM 399 CA GLY A 47 0.510 -21.875 5.790 1.00 0.00 C ATOM 400 C GLY A 47 0.461 -22.569 4.443 1.00 0.00 C ATOM 401 O GLY A 47 -0.553 -23.178 4.088 1.00 0.00 O ATOM 0 H GLY A 47 -1.313 -20.958 6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.895 -20.863 5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.207 -22.401 6.443 1.00 0.00 H new ATOM 405 N GLY A 48 1.541 -22.459 3.677 1.00 0.00 N ATOM 406 CA GLY A 48 1.609 -23.116 2.383 1.00 0.00 C ATOM 407 C GLY A 48 0.920 -22.321 1.292 1.00 0.00 C ATOM 408 O GLY A 48 1.499 -22.071 0.239 1.00 0.00 O ATOM 0 H GLY A 48 2.373 -21.925 3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.653 -23.270 2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.150 -24.102 2.455 1.00 0.00 H new ATOM 412 N GLN A 49 -0.318 -21.921 1.556 1.00 0.00 N ATOM 413 CA GLN A 49 -1.106 -21.152 0.597 1.00 0.00 C ATOM 414 C GLN A 49 -0.511 -19.759 0.416 1.00 0.00 C ATOM 415 O GLN A 49 -0.573 -19.178 -0.667 1.00 0.00 O ATOM 416 CB GLN A 49 -2.558 -21.034 1.074 1.00 0.00 C ATOM 417 CG GLN A 49 -3.157 -22.348 1.557 1.00 0.00 C ATOM 418 CD GLN A 49 -3.165 -23.425 0.493 1.00 0.00 C ATOM 419 OE1 GLN A 49 -2.202 -24.174 0.352 1.00 0.00 O ATOM 420 NE2 GLN A 49 -4.257 -23.522 -0.248 1.00 0.00 N ATOM 0 H GLN A 49 -0.802 -22.118 2.432 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.086 -21.674 -0.360 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.606 -20.305 1.883 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.168 -20.646 0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.592 -22.702 2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.178 -22.172 1.895 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.034 -22.879 -0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.321 -24.240 -0.970 1.00 0.00 H new ATOM 429 N ILE A 50 0.060 -19.233 1.492 1.00 0.00 N ATOM 430 CA ILE A 50 0.675 -17.914 1.477 1.00 0.00 C ATOM 431 C ILE A 50 2.088 -17.998 2.045 1.00 0.00 C ATOM 432 O ILE A 50 2.273 -18.359 3.208 1.00 0.00 O ATOM 433 CB ILE A 50 -0.136 -16.893 2.314 1.00 0.00 C ATOM 434 CG1 ILE A 50 -1.594 -16.815 1.834 1.00 0.00 C ATOM 435 CG2 ILE A 50 0.517 -15.516 2.255 1.00 0.00 C ATOM 436 CD1 ILE A 50 -1.754 -16.283 0.425 1.00 0.00 C ATOM 0 H ILE A 50 0.109 -19.706 2.394 1.00 0.00 H new ATOM 0 HA ILE A 50 0.697 -17.575 0.441 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.139 -17.235 3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.037 -17.810 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.157 -16.179 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.066 -14.811 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.530 -15.576 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.554 -15.175 1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.812 -16.260 0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.344 -15.275 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.222 -16.931 -0.271 1.00 0.00 H new ATOM 448 N SER A 51 3.076 -17.697 1.219 1.00 0.00 N ATOM 449 CA SER A 51 4.459 -17.661 1.671 1.00 0.00 C ATOM 450 C SER A 51 5.089 -16.324 1.305 1.00 0.00 C ATOM 451 O SER A 51 5.869 -15.751 2.069 1.00 0.00 O ATOM 452 CB SER A 51 5.253 -18.805 1.040 1.00 0.00 C ATOM 453 OG SER A 51 4.580 -20.045 1.199 1.00 0.00 O ATOM 0 H SER A 51 2.947 -17.474 0.232 1.00 0.00 H new ATOM 0 HA SER A 51 4.478 -17.779 2.754 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.405 -18.604 -0.020 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.240 -18.862 1.499 1.00 0.00 H new ATOM 0 HG SER A 51 5.108 -20.759 0.785 1.00 0.00 H new ATOM 459 N SER A 52 4.732 -15.834 0.130 1.00 0.00 N ATOM 460 CA SER A 52 5.218 -14.560 -0.355 1.00 0.00 C ATOM 461 C SER A 52 4.058 -13.570 -0.450 1.00 0.00 C ATOM 462 O SER A 52 2.903 -13.974 -0.623 1.00 0.00 O ATOM 463 CB SER A 52 5.876 -14.754 -1.729 1.00 0.00 C ATOM 464 OG SER A 52 6.303 -13.523 -2.288 1.00 0.00 O ATOM 0 H SER A 52 4.098 -16.310 -0.512 1.00 0.00 H new ATOM 0 HA SER A 52 5.960 -14.161 0.337 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.730 -15.424 -1.631 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.169 -15.235 -2.406 1.00 0.00 H new ATOM 0 HG SER A 52 6.718 -13.686 -3.161 1.00 0.00 H new ATOM 470 N PRO A 53 4.336 -12.261 -0.318 1.00 0.00 N ATOM 471 CA PRO A 53 3.328 -11.222 -0.525 1.00 0.00 C ATOM 472 C PRO A 53 2.685 -11.340 -1.904 1.00 0.00 C ATOM 473 O PRO A 53 1.544 -10.931 -2.104 1.00 0.00 O ATOM 474 CB PRO A 53 4.110 -9.907 -0.399 1.00 0.00 C ATOM 475 CG PRO A 53 5.551 -10.289 -0.473 1.00 0.00 C ATOM 476 CD PRO A 53 5.638 -11.691 0.055 1.00 0.00 C ATOM 0 HA PRO A 53 2.509 -11.294 0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.846 -9.216 -1.199 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.885 -9.406 0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.916 -10.236 -1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.165 -9.611 0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.464 -12.242 -0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.793 -11.708 1.134 1.00 0.00 H new ATOM 484 N SER A 54 3.424 -11.926 -2.842 1.00 0.00 N ATOM 485 CA SER A 54 2.922 -12.165 -4.186 1.00 0.00 C ATOM 486 C SER A 54 1.735 -13.132 -4.161 1.00 0.00 C ATOM 487 O SER A 54 0.800 -12.996 -4.952 1.00 0.00 O ATOM 488 CB SER A 54 4.047 -12.716 -5.061 1.00 0.00 C ATOM 489 OG SER A 54 5.186 -11.873 -4.998 1.00 0.00 O ATOM 0 H SER A 54 4.381 -12.246 -2.691 1.00 0.00 H new ATOM 0 HA SER A 54 2.573 -11.221 -4.605 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.313 -13.721 -4.732 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.705 -12.799 -6.093 1.00 0.00 H new ATOM 0 HG SER A 54 5.897 -12.241 -5.563 1.00 0.00 H new ATOM 495 N ASP A 55 1.770 -14.101 -3.244 1.00 0.00 N ATOM 496 CA ASP A 55 0.648 -15.022 -3.063 1.00 0.00 C ATOM 497 C ASP A 55 -0.534 -14.256 -2.498 1.00 0.00 C ATOM 498 O ASP A 55 -1.654 -14.323 -3.011 1.00 0.00 O ATOM 499 CB ASP A 55 0.988 -16.161 -2.087 1.00 0.00 C ATOM 500 CG ASP A 55 2.174 -17.005 -2.502 1.00 0.00 C ATOM 501 OD1 ASP A 55 2.108 -17.659 -3.561 1.00 0.00 O ATOM 502 OD2 ASP A 55 3.167 -17.051 -1.740 1.00 0.00 O ATOM 0 H ASP A 55 2.559 -14.267 -2.619 1.00 0.00 H new ATOM 0 HA ASP A 55 0.418 -15.456 -4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.187 -15.734 -1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.116 -16.807 -1.983 1.00 0.00 H new ATOM 507 N LEU A 56 -0.254 -13.513 -1.435 1.00 0.00 N ATOM 508 CA LEU A 56 -1.277 -12.770 -0.714 1.00 0.00 C ATOM 509 C LEU A 56 -1.954 -11.737 -1.613 1.00 0.00 C ATOM 510 O LEU A 56 -3.167 -11.549 -1.541 1.00 0.00 O ATOM 511 CB LEU A 56 -0.660 -12.083 0.506 1.00 0.00 C ATOM 512 CG LEU A 56 -1.658 -11.407 1.448 1.00 0.00 C ATOM 513 CD1 LEU A 56 -2.640 -12.428 2.003 1.00 0.00 C ATOM 514 CD2 LEU A 56 -0.925 -10.702 2.579 1.00 0.00 C ATOM 0 H LEU A 56 0.685 -13.409 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.039 -13.477 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.095 -12.823 1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.052 -11.334 0.160 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.219 -10.662 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.343 -11.931 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.186 -12.891 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.095 -13.194 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.649 -10.226 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.341 -11.429 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.259 -9.945 2.165 1.00 0.00 H new ATOM 526 N ARG A 57 -1.169 -11.078 -2.461 1.00 0.00 N ATOM 527 CA ARG A 57 -1.698 -10.054 -3.357 1.00 0.00 C ATOM 528 C ARG A 57 -2.796 -10.601 -4.259 1.00 0.00 C ATOM 529 O ARG A 57 -3.877 -10.019 -4.343 1.00 0.00 O ATOM 530 CB ARG A 57 -0.592 -9.440 -4.217 1.00 0.00 C ATOM 531 CG ARG A 57 0.228 -8.379 -3.500 1.00 0.00 C ATOM 532 CD ARG A 57 0.621 -7.266 -4.457 1.00 0.00 C ATOM 533 NE ARG A 57 -0.556 -6.722 -5.133 1.00 0.00 N ATOM 534 CZ ARG A 57 -0.538 -5.702 -5.987 1.00 0.00 C ATOM 535 NH1 ARG A 57 0.589 -5.050 -6.247 1.00 0.00 N ATOM 536 NH2 ARG A 57 -1.666 -5.327 -6.570 1.00 0.00 N ATOM 0 H ARG A 57 -0.165 -11.235 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.126 -9.279 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.075 -10.233 -4.555 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.040 -8.999 -5.107 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.347 -7.966 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.123 -8.831 -3.073 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.130 -6.473 -3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.326 -7.647 -5.196 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.457 -7.157 -4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.457 -5.329 -5.790 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.587 -4.270 -6.904 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.535 -5.819 -6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.666 -4.546 -7.227 1.00 0.00 H new ATOM 550 N GLU A 58 -2.528 -11.722 -4.920 1.00 0.00 N ATOM 551 CA GLU A 58 -3.492 -12.295 -5.852 1.00 0.00 C ATOM 552 C GLU A 58 -4.742 -12.765 -5.120 1.00 0.00 C ATOM 553 O GLU A 58 -5.842 -12.727 -5.669 1.00 0.00 O ATOM 554 CB GLU A 58 -2.873 -13.447 -6.641 1.00 0.00 C ATOM 555 CG GLU A 58 -1.654 -13.034 -7.446 1.00 0.00 C ATOM 556 CD GLU A 58 -1.235 -14.083 -8.453 1.00 0.00 C ATOM 557 OE1 GLU A 58 -0.977 -15.234 -8.049 1.00 0.00 O ATOM 558 OE2 GLU A 58 -1.150 -13.758 -9.653 1.00 0.00 O ATOM 0 H GLU A 58 -1.659 -12.248 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.778 -11.513 -6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.592 -14.242 -5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.623 -13.861 -7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.867 -12.101 -7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.825 -12.837 -6.766 1.00 0.00 H new ATOM 565 N LYS A 59 -4.569 -13.204 -3.879 1.00 0.00 N ATOM 566 CA LYS A 59 -5.702 -13.579 -3.044 1.00 0.00 C ATOM 567 C LYS A 59 -6.543 -12.359 -2.693 1.00 0.00 C ATOM 568 O LYS A 59 -7.754 -12.351 -2.903 1.00 0.00 O ATOM 569 CB LYS A 59 -5.231 -14.272 -1.765 1.00 0.00 C ATOM 570 CG LYS A 59 -4.853 -15.728 -1.966 1.00 0.00 C ATOM 571 CD LYS A 59 -6.052 -16.557 -2.400 1.00 0.00 C ATOM 572 CE LYS A 59 -5.688 -18.022 -2.534 1.00 0.00 C ATOM 573 NZ LYS A 59 -6.855 -18.860 -2.911 1.00 0.00 N ATOM 0 H LYS A 59 -3.659 -13.309 -3.431 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.317 -14.277 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.371 -13.734 -1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.021 -14.211 -1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.067 -15.801 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.446 -16.131 -1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.857 -16.445 -1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.429 -16.185 -3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.906 -18.133 -3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.276 -18.380 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.558 -19.853 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.592 -18.777 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.233 -18.537 -3.824 1.00 0.00 H new ATOM 587 N LEU A 60 -5.892 -11.327 -2.170 1.00 0.00 N ATOM 588 CA LEU A 60 -6.584 -10.109 -1.769 1.00 0.00 C ATOM 589 C LEU A 60 -7.270 -9.451 -2.961 1.00 0.00 C ATOM 590 O LEU A 60 -8.420 -9.026 -2.864 1.00 0.00 O ATOM 591 CB LEU A 60 -5.607 -9.129 -1.117 1.00 0.00 C ATOM 592 CG LEU A 60 -4.992 -9.606 0.201 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.969 -8.602 0.706 1.00 0.00 C ATOM 594 CD2 LEU A 60 -6.075 -9.836 1.245 1.00 0.00 C ATOM 0 H LEU A 60 -4.884 -11.310 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.349 -10.381 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.802 -8.920 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.126 -8.187 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.484 -10.553 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.542 -8.958 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.176 -8.487 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.454 -7.640 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.618 -10.175 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.612 -8.905 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.771 -10.594 0.886 1.00 0.00 H new ATOM 606 N SER A 61 -6.567 -9.379 -4.085 1.00 0.00 N ATOM 607 CA SER A 61 -7.127 -8.795 -5.294 1.00 0.00 C ATOM 608 C SER A 61 -8.330 -9.609 -5.766 1.00 0.00 C ATOM 609 O SER A 61 -9.335 -9.050 -6.204 1.00 0.00 O ATOM 610 CB SER A 61 -6.059 -8.720 -6.391 1.00 0.00 C ATOM 611 OG SER A 61 -6.537 -8.029 -7.535 1.00 0.00 O ATOM 0 H SER A 61 -5.610 -9.718 -4.183 1.00 0.00 H new ATOM 0 HA SER A 61 -7.463 -7.782 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.173 -8.216 -6.004 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.755 -9.728 -6.674 1.00 0.00 H new ATOM 0 HG SER A 61 -6.275 -7.086 -7.481 1.00 0.00 H new ATOM 617 N GLU A 62 -8.228 -10.930 -5.644 1.00 0.00 N ATOM 618 CA GLU A 62 -9.305 -11.830 -6.040 1.00 0.00 C ATOM 619 C GLU A 62 -10.562 -11.559 -5.220 1.00 0.00 C ATOM 620 O GLU A 62 -11.638 -11.313 -5.767 1.00 0.00 O ATOM 621 CB GLU A 62 -8.878 -13.285 -5.838 1.00 0.00 C ATOM 622 CG GLU A 62 -9.854 -14.292 -6.417 1.00 0.00 C ATOM 623 CD GLU A 62 -9.868 -14.269 -7.928 1.00 0.00 C ATOM 624 OE1 GLU A 62 -9.037 -14.974 -8.536 1.00 0.00 O ATOM 625 OE2 GLU A 62 -10.698 -13.547 -8.516 1.00 0.00 O ATOM 0 H GLU A 62 -7.404 -11.402 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.522 -11.655 -7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.900 -13.435 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.763 -13.476 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.589 -15.292 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.856 -14.081 -6.043 1.00 0.00 H new ATOM 632 N LEU A 63 -10.410 -11.595 -3.902 1.00 0.00 N ATOM 633 CA LEU A 63 -11.536 -11.421 -2.995 1.00 0.00 C ATOM 634 C LEU A 63 -12.128 -10.019 -3.141 1.00 0.00 C ATOM 635 O LEU A 63 -13.348 -9.833 -3.082 1.00 0.00 O ATOM 636 CB LEU A 63 -11.097 -11.661 -1.546 1.00 0.00 C ATOM 637 CG LEU A 63 -10.217 -12.896 -1.305 1.00 0.00 C ATOM 638 CD1 LEU A 63 -9.906 -13.045 0.176 1.00 0.00 C ATOM 639 CD2 LEU A 63 -10.872 -14.162 -1.840 1.00 0.00 C ATOM 0 H LEU A 63 -9.515 -11.744 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.302 -12.152 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.555 -10.780 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.990 -11.749 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.284 -12.750 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.281 -13.925 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.378 -12.159 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.836 -13.158 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.221 -15.016 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.828 -14.317 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.037 -14.061 -2.913 1.00 0.00 H new ATOM 651 N ALA A 64 -11.256 -9.036 -3.345 1.00 0.00 N ATOM 652 CA ALA A 64 -11.685 -7.656 -3.530 1.00 0.00 C ATOM 653 C ALA A 64 -12.472 -7.505 -4.825 1.00 0.00 C ATOM 654 O ALA A 64 -13.507 -6.836 -4.860 1.00 0.00 O ATOM 655 CB ALA A 64 -10.486 -6.720 -3.529 1.00 0.00 C ATOM 0 H ALA A 64 -10.246 -9.171 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.336 -7.388 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.826 -5.694 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.961 -6.802 -2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.811 -6.992 -4.341 1.00 0.00 H new ATOM 661 N ASP A 65 -11.986 -8.142 -5.884 1.00 0.00 N ATOM 662 CA ASP A 65 -12.640 -8.080 -7.185 1.00 0.00 C ATOM 663 C ASP A 65 -13.996 -8.769 -7.141 1.00 0.00 C ATOM 664 O ASP A 65 -14.949 -8.329 -7.790 1.00 0.00 O ATOM 665 CB ASP A 65 -11.765 -8.724 -8.259 1.00 0.00 C ATOM 666 CG ASP A 65 -12.425 -8.701 -9.620 1.00 0.00 C ATOM 667 OD1 ASP A 65 -12.518 -7.609 -10.220 1.00 0.00 O ATOM 668 OD2 ASP A 65 -12.854 -9.771 -10.097 1.00 0.00 O ATOM 0 H ASP A 65 -11.138 -8.709 -5.866 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.789 -7.030 -7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.811 -8.200 -8.311 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.548 -9.755 -7.979 1.00 0.00 H new ATOM 673 N ALA A 66 -14.078 -9.845 -6.367 1.00 0.00 N ATOM 674 CA ALA A 66 -15.326 -10.577 -6.194 1.00 0.00 C ATOM 675 C ALA A 66 -16.409 -9.679 -5.602 1.00 0.00 C ATOM 676 O ALA A 66 -17.563 -9.725 -6.024 1.00 0.00 O ATOM 677 CB ALA A 66 -15.107 -11.798 -5.314 1.00 0.00 C ATOM 0 H ALA A 66 -13.290 -10.231 -5.847 1.00 0.00 H new ATOM 0 HA ALA A 66 -15.663 -10.910 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -16.049 -12.334 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.372 -12.455 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.743 -11.481 -4.337 1.00 0.00 H new ATOM 683 N LYS A 67 -16.029 -8.859 -4.628 1.00 0.00 N ATOM 684 CA LYS A 67 -16.969 -7.925 -4.010 1.00 0.00 C ATOM 685 C LYS A 67 -17.199 -6.705 -4.900 1.00 0.00 C ATOM 686 O LYS A 67 -18.240 -6.050 -4.823 1.00 0.00 O ATOM 687 CB LYS A 67 -16.461 -7.484 -2.637 1.00 0.00 C ATOM 688 CG LYS A 67 -16.323 -8.628 -1.651 1.00 0.00 C ATOM 689 CD LYS A 67 -15.897 -8.136 -0.280 1.00 0.00 C ATOM 690 CE LYS A 67 -15.728 -9.290 0.694 1.00 0.00 C ATOM 691 NZ LYS A 67 -16.998 -10.025 0.928 1.00 0.00 N ATOM 0 H LYS A 67 -15.083 -8.820 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 67 -17.920 -8.442 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -15.493 -6.997 -2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.144 -6.740 -2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.273 -9.156 -1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.592 -9.345 -2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.959 -7.588 -0.364 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.641 -7.438 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.978 -9.980 0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.352 -8.908 1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.874 -10.689 1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.753 -9.348 1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.256 -10.553 0.070 1.00 0.00 H new ATOM 705 N GLY A 68 -16.218 -6.396 -5.732 1.00 0.00 N ATOM 706 CA GLY A 68 -16.359 -5.297 -6.665 1.00 0.00 C ATOM 707 C GLY A 68 -15.543 -4.088 -6.266 1.00 0.00 C ATOM 708 O GLY A 68 -16.005 -2.952 -6.381 1.00 0.00 O ATOM 0 H GLY A 68 -15.325 -6.887 -5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.052 -5.626 -7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.410 -5.015 -6.733 1.00 0.00 H new ATOM 712 N GLY A 69 -14.334 -4.331 -5.787 1.00 0.00 N ATOM 713 CA GLY A 69 -13.448 -3.249 -5.417 1.00 0.00 C ATOM 714 C GLY A 69 -12.188 -3.242 -6.254 1.00 0.00 C ATOM 715 O GLY A 69 -11.781 -4.281 -6.780 1.00 0.00 O ATOM 0 H GLY A 69 -13.948 -5.265 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.967 -2.298 -5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.184 -3.340 -4.363 1.00 0.00 H new ATOM 719 N LYS A 70 -11.573 -2.075 -6.389 1.00 0.00 N ATOM 720 CA LYS A 70 -10.352 -1.940 -7.175 1.00 0.00 C ATOM 721 C LYS A 70 -9.161 -1.651 -6.272 1.00 0.00 C ATOM 722 O LYS A 70 -8.007 -1.755 -6.688 1.00 0.00 O ATOM 723 CB LYS A 70 -10.504 -0.826 -8.212 1.00 0.00 C ATOM 724 CG LYS A 70 -11.617 -1.078 -9.213 1.00 0.00 C ATOM 725 CD LYS A 70 -11.706 0.034 -10.243 1.00 0.00 C ATOM 726 CE LYS A 70 -12.831 -0.216 -11.233 1.00 0.00 C ATOM 727 NZ LYS A 70 -12.612 -1.450 -12.034 1.00 0.00 N ATOM 0 H LYS A 70 -11.899 -1.207 -5.964 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.176 -2.882 -7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.696 0.115 -7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.563 -0.710 -8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.445 -2.029 -9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.568 -1.164 -8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.868 0.987 -9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.760 0.113 -10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.775 -0.298 -10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.919 0.639 -11.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.297 -1.483 -12.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.646 -1.446 -12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.739 -2.285 -11.427 1.00 0.00 H new ATOM 741 N TYR A 71 -9.450 -1.291 -5.033 1.00 0.00 N ATOM 742 CA TYR A 71 -8.414 -0.968 -4.069 1.00 0.00 C ATOM 743 C TYR A 71 -8.640 -1.757 -2.789 1.00 0.00 C ATOM 744 O TYR A 71 -9.771 -2.132 -2.477 1.00 0.00 O ATOM 745 CB TYR A 71 -8.424 0.530 -3.748 1.00 0.00 C ATOM 746 CG TYR A 71 -8.342 1.435 -4.961 1.00 0.00 C ATOM 747 CD1 TYR A 71 -7.115 1.791 -5.508 1.00 0.00 C ATOM 748 CD2 TYR A 71 -9.495 1.939 -5.553 1.00 0.00 C ATOM 749 CE1 TYR A 71 -7.040 2.622 -6.611 1.00 0.00 C ATOM 750 CE2 TYR A 71 -9.427 2.770 -6.656 1.00 0.00 C ATOM 751 CZ TYR A 71 -8.198 3.109 -7.181 1.00 0.00 C ATOM 752 OH TYR A 71 -8.123 3.937 -8.278 1.00 0.00 O ATOM 0 H TYR A 71 -10.400 -1.215 -4.670 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.448 -1.231 -4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.335 0.764 -3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.586 0.752 -3.088 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.206 1.413 -5.065 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.460 1.677 -5.144 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.079 2.889 -7.024 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.332 3.152 -7.104 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.027 4.191 -8.558 1.00 0.00 H new ATOM 762 N TYR A 72 -7.573 -2.015 -2.057 1.00 0.00 N ATOM 763 CA TYR A 72 -7.686 -2.651 -0.756 1.00 0.00 C ATOM 764 C TYR A 72 -6.569 -2.172 0.157 1.00 0.00 C ATOM 765 O TYR A 72 -5.618 -1.533 -0.295 1.00 0.00 O ATOM 766 CB TYR A 72 -7.673 -4.185 -0.874 1.00 0.00 C ATOM 767 CG TYR A 72 -6.408 -4.769 -1.472 1.00 0.00 C ATOM 768 CD1 TYR A 72 -5.298 -5.037 -0.680 1.00 0.00 C ATOM 769 CD2 TYR A 72 -6.333 -5.069 -2.825 1.00 0.00 C ATOM 770 CE1 TYR A 72 -4.151 -5.584 -1.220 1.00 0.00 C ATOM 771 CE2 TYR A 72 -5.188 -5.615 -3.372 1.00 0.00 C ATOM 772 CZ TYR A 72 -4.100 -5.870 -2.567 1.00 0.00 C ATOM 773 OH TYR A 72 -2.959 -6.420 -3.108 1.00 0.00 O ATOM 0 H TYR A 72 -6.618 -1.795 -2.340 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.644 -2.366 -0.322 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.819 -4.612 0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.522 -4.495 -1.483 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.333 -4.814 0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.184 -4.872 -3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.298 -5.787 -0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.146 -5.841 -4.427 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.199 -6.983 -3.873 1.00 0.00 H new ATOM 783 N HIS A 73 -6.695 -2.466 1.438 1.00 0.00 N ATOM 784 CA HIS A 73 -5.683 -2.091 2.411 1.00 0.00 C ATOM 785 C HIS A 73 -5.624 -3.118 3.531 1.00 0.00 C ATOM 786 O HIS A 73 -6.638 -3.411 4.163 1.00 0.00 O ATOM 787 CB HIS A 73 -5.982 -0.695 2.979 1.00 0.00 C ATOM 788 CG HIS A 73 -5.054 -0.274 4.079 1.00 0.00 C ATOM 789 ND1 HIS A 73 -3.794 0.237 3.851 1.00 0.00 N ATOM 790 CD2 HIS A 73 -5.208 -0.302 5.425 1.00 0.00 C ATOM 791 CE1 HIS A 73 -3.215 0.498 5.009 1.00 0.00 C ATOM 792 NE2 HIS A 73 -4.051 0.181 5.976 1.00 0.00 N ATOM 0 H HIS A 73 -7.492 -2.966 1.831 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.713 -2.063 1.914 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.926 0.035 2.171 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.005 -0.678 3.354 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.375 0.389 2.933 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.081 -0.642 5.963 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.223 0.903 5.141 1.00 0.00 H new ATOM 801 N ILE A 74 -4.440 -3.666 3.765 1.00 0.00 N ATOM 802 CA ILE A 74 -4.242 -4.604 4.856 1.00 0.00 C ATOM 803 C ILE A 74 -4.230 -3.851 6.177 1.00 0.00 C ATOM 804 O ILE A 74 -3.351 -3.026 6.424 1.00 0.00 O ATOM 805 CB ILE A 74 -2.924 -5.392 4.703 1.00 0.00 C ATOM 806 CG1 ILE A 74 -2.885 -6.105 3.347 1.00 0.00 C ATOM 807 CG2 ILE A 74 -2.771 -6.397 5.839 1.00 0.00 C ATOM 808 CD1 ILE A 74 -1.586 -6.833 3.077 1.00 0.00 C ATOM 0 H ILE A 74 -3.603 -3.476 3.213 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.065 -5.319 4.835 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.091 -4.690 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.708 -6.819 3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.051 -5.373 2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.837 -6.945 5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.760 -5.869 6.793 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.607 -7.097 5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.634 -7.313 2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.760 -6.122 3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.427 -7.590 3.845 1.00 0.00 H new ATOM 820 N ILE A 75 -5.222 -4.109 7.009 1.00 0.00 N ATOM 821 CA ILE A 75 -5.333 -3.416 8.280 1.00 0.00 C ATOM 822 C ILE A 75 -4.751 -4.255 9.407 1.00 0.00 C ATOM 823 O ILE A 75 -4.349 -3.724 10.442 1.00 0.00 O ATOM 824 CB ILE A 75 -6.796 -3.050 8.608 1.00 0.00 C ATOM 825 CG1 ILE A 75 -7.671 -4.308 8.665 1.00 0.00 C ATOM 826 CG2 ILE A 75 -7.328 -2.066 7.572 1.00 0.00 C ATOM 827 CD1 ILE A 75 -9.095 -4.044 9.106 1.00 0.00 C ATOM 0 H ILE A 75 -5.960 -4.790 6.829 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.762 -2.492 8.189 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.829 -2.577 9.589 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.686 -4.773 7.679 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.216 -5.025 9.349 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.361 -1.811 7.809 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.720 -1.162 7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.284 -2.521 6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.651 -4.981 9.121 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.092 -3.608 10.105 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.569 -3.352 8.410 1.00 0.00 H new ATOM 839 N ALA A 76 -4.693 -5.564 9.198 1.00 0.00 N ATOM 840 CA ALA A 76 -4.155 -6.467 10.200 1.00 0.00 C ATOM 841 C ALA A 76 -3.676 -7.768 9.573 1.00 0.00 C ATOM 842 O ALA A 76 -4.473 -8.647 9.251 1.00 0.00 O ATOM 843 CB ALA A 76 -5.196 -6.751 11.273 1.00 0.00 C ATOM 0 H ALA A 76 -5.012 -6.021 8.344 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.296 -5.979 10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.777 -7.429 12.016 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.485 -5.817 11.756 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.073 -7.210 10.817 1.00 0.00 H new ATOM 849 N ALA A 77 -2.373 -7.872 9.372 1.00 0.00 N ATOM 850 CA ALA A 77 -1.769 -9.119 8.938 1.00 0.00 C ATOM 851 C ALA A 77 -1.220 -9.849 10.154 1.00 0.00 C ATOM 852 O ALA A 77 -0.048 -9.711 10.502 1.00 0.00 O ATOM 853 CB ALA A 77 -0.672 -8.868 7.911 1.00 0.00 C ATOM 0 H ALA A 77 -1.713 -7.106 9.503 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.526 -9.737 8.455 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.237 -9.819 7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.096 -8.365 7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.103 -8.240 8.352 1.00 0.00 H new ATOM 859 N ARG A 78 -2.084 -10.599 10.818 1.00 0.00 N ATOM 860 CA ARG A 78 -1.740 -11.199 12.095 1.00 0.00 C ATOM 861 C ARG A 78 -1.310 -12.649 11.922 1.00 0.00 C ATOM 862 O ARG A 78 -1.900 -13.406 11.152 1.00 0.00 O ATOM 863 CB ARG A 78 -2.922 -11.101 13.066 1.00 0.00 C ATOM 864 CG ARG A 78 -4.149 -11.886 12.633 1.00 0.00 C ATOM 865 CD ARG A 78 -5.303 -11.711 13.608 1.00 0.00 C ATOM 866 NE ARG A 78 -5.989 -10.430 13.445 1.00 0.00 N ATOM 867 CZ ARG A 78 -5.767 -9.350 14.196 1.00 0.00 C ATOM 868 NH1 ARG A 78 -4.821 -9.355 15.129 1.00 0.00 N ATOM 869 NH2 ARG A 78 -6.497 -8.260 14.006 1.00 0.00 N ATOM 0 H ARG A 78 -3.028 -10.806 10.493 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.898 -10.647 12.512 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.604 -11.457 14.046 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.197 -10.053 13.182 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.459 -11.559 11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.896 -12.943 12.555 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.018 -12.522 13.468 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.927 -11.790 14.628 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.687 -10.357 12.705 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.255 -10.191 15.277 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.661 -8.523 15.697 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.223 -8.251 13.289 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.333 -7.430 14.576 1.00 0.00 H new ATOM 883 N GLU A 79 -0.274 -13.025 12.645 1.00 0.00 N ATOM 884 CA GLU A 79 0.260 -14.373 12.575 1.00 0.00 C ATOM 885 C GLU A 79 -0.027 -15.118 13.876 1.00 0.00 C ATOM 886 O GLU A 79 0.664 -14.930 14.877 1.00 0.00 O ATOM 887 CB GLU A 79 1.765 -14.306 12.302 1.00 0.00 C ATOM 888 CG GLU A 79 2.454 -15.656 12.201 1.00 0.00 C ATOM 889 CD GLU A 79 3.944 -15.514 11.967 1.00 0.00 C ATOM 890 OE1 GLU A 79 4.661 -15.119 12.914 1.00 0.00 O ATOM 891 OE2 GLU A 79 4.401 -15.775 10.834 1.00 0.00 O ATOM 0 H GLU A 79 0.219 -12.411 13.293 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.221 -14.918 11.762 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.928 -13.760 11.373 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.239 -13.730 13.097 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.283 -16.220 13.118 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.012 -16.229 11.386 1.00 0.00 H new ATOM 898 N HIS A 80 -1.071 -15.938 13.867 1.00 0.00 N ATOM 899 CA HIS A 80 -1.443 -16.709 15.047 1.00 0.00 C ATOM 900 C HIS A 80 -0.996 -18.154 14.907 1.00 0.00 C ATOM 901 O HIS A 80 -1.775 -19.022 14.509 1.00 0.00 O ATOM 902 CB HIS A 80 -2.956 -16.657 15.296 1.00 0.00 C ATOM 903 CG HIS A 80 -3.427 -15.396 15.953 1.00 0.00 C ATOM 904 ND1 HIS A 80 -4.517 -14.676 15.514 1.00 0.00 N ATOM 905 CD2 HIS A 80 -2.968 -14.745 17.048 1.00 0.00 C ATOM 906 CE1 HIS A 80 -4.706 -13.639 16.310 1.00 0.00 C ATOM 907 NE2 HIS A 80 -3.780 -13.659 17.246 1.00 0.00 N ATOM 0 H HIS A 80 -1.674 -16.086 13.058 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.938 -16.260 15.902 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.474 -16.773 14.344 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.240 -17.506 15.918 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.088 -14.908 14.701 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.120 -15.029 17.653 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.487 -12.900 16.210 1.00 0.00 H new ATOM 916 N GLY A 81 0.269 -18.402 15.202 1.00 0.00 N ATOM 917 CA GLY A 81 0.795 -19.744 15.095 1.00 0.00 C ATOM 918 C GLY A 81 1.000 -20.143 13.651 1.00 0.00 C ATOM 919 O GLY A 81 1.678 -19.437 12.903 1.00 0.00 O ATOM 0 H GLY A 81 0.940 -17.699 15.513 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.743 -19.809 15.630 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.110 -20.444 15.574 1.00 0.00 H new ATOM 923 N PRO A 82 0.408 -21.267 13.225 1.00 0.00 N ATOM 924 CA PRO A 82 0.446 -21.699 11.833 1.00 0.00 C ATOM 925 C PRO A 82 -0.659 -21.045 11.010 1.00 0.00 C ATOM 926 O PRO A 82 -0.661 -21.109 9.780 1.00 0.00 O ATOM 927 CB PRO A 82 0.220 -23.204 11.943 1.00 0.00 C ATOM 928 CG PRO A 82 -0.651 -23.367 13.145 1.00 0.00 C ATOM 929 CD PRO A 82 -0.335 -22.216 14.073 1.00 0.00 C ATOM 0 HA PRO A 82 1.374 -21.429 11.330 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.261 -23.599 11.048 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.162 -23.739 12.061 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.704 -23.359 12.863 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.460 -24.322 13.634 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.243 -21.766 14.474 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.262 -22.542 14.924 1.00 0.00 H new ATOM 937 N ASN A 83 -1.598 -20.407 11.698 1.00 0.00 N ATOM 938 CA ASN A 83 -2.714 -19.753 11.038 1.00 0.00 C ATOM 939 C ASN A 83 -2.410 -18.282 10.821 1.00 0.00 C ATOM 940 O ASN A 83 -2.437 -17.478 11.758 1.00 0.00 O ATOM 941 CB ASN A 83 -4.009 -19.911 11.848 1.00 0.00 C ATOM 942 CG ASN A 83 -4.550 -21.333 11.847 1.00 0.00 C ATOM 943 OD1 ASN A 83 -5.138 -21.782 12.831 1.00 0.00 O ATOM 944 ND2 ASN A 83 -4.383 -22.046 10.741 1.00 0.00 N ATOM 0 H ASN A 83 -1.606 -20.330 12.715 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.859 -20.233 10.070 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.826 -19.600 12.877 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.767 -19.241 11.442 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.747 -22.997 10.688 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.891 -21.643 9.944 1.00 0.00 H new ATOM 951 N PHE A 84 -2.097 -17.940 9.587 1.00 0.00 N ATOM 952 CA PHE A 84 -1.841 -16.563 9.224 1.00 0.00 C ATOM 953 C PHE A 84 -3.136 -15.917 8.757 1.00 0.00 C ATOM 954 O PHE A 84 -3.755 -16.374 7.794 1.00 0.00 O ATOM 955 CB PHE A 84 -0.774 -16.485 8.128 1.00 0.00 C ATOM 956 CG PHE A 84 -0.413 -15.079 7.735 1.00 0.00 C ATOM 957 CD1 PHE A 84 0.394 -14.303 8.553 1.00 0.00 C ATOM 958 CD2 PHE A 84 -0.876 -14.537 6.546 1.00 0.00 C ATOM 959 CE1 PHE A 84 0.731 -13.013 8.193 1.00 0.00 C ATOM 960 CE2 PHE A 84 -0.542 -13.246 6.182 1.00 0.00 C ATOM 961 CZ PHE A 84 0.262 -12.484 7.006 1.00 0.00 C ATOM 0 H PHE A 84 -2.014 -18.602 8.816 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.466 -16.026 10.095 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.124 -16.999 8.470 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.131 -17.019 7.247 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.763 -14.712 9.482 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.504 -15.130 5.897 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.360 -12.418 8.839 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.910 -12.834 5.254 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.524 -11.475 6.723 1.00 0.00 H new ATOM 971 N GLU A 85 -3.551 -14.877 9.457 1.00 0.00 N ATOM 972 CA GLU A 85 -4.783 -14.184 9.139 1.00 0.00 C ATOM 973 C GLU A 85 -4.472 -12.814 8.559 1.00 0.00 C ATOM 974 O GLU A 85 -4.003 -11.920 9.266 1.00 0.00 O ATOM 975 CB GLU A 85 -5.649 -14.027 10.391 1.00 0.00 C ATOM 976 CG GLU A 85 -5.915 -15.327 11.132 1.00 0.00 C ATOM 977 CD GLU A 85 -6.705 -15.107 12.405 1.00 0.00 C ATOM 978 OE1 GLU A 85 -7.949 -15.021 12.326 1.00 0.00 O ATOM 979 OE2 GLU A 85 -6.088 -15.002 13.485 1.00 0.00 O ATOM 0 H GLU A 85 -3.047 -14.492 10.256 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.331 -14.773 8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.162 -13.328 11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.603 -13.583 10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.461 -16.010 10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.966 -15.807 11.373 1.00 0.00 H new ATOM 986 N ALA A 86 -4.730 -12.652 7.278 1.00 0.00 N ATOM 987 CA ALA A 86 -4.493 -11.383 6.622 1.00 0.00 C ATOM 988 C ALA A 86 -5.809 -10.675 6.382 1.00 0.00 C ATOM 989 O ALA A 86 -6.572 -11.033 5.482 1.00 0.00 O ATOM 990 CB ALA A 86 -3.746 -11.588 5.314 1.00 0.00 C ATOM 0 H ALA A 86 -5.103 -13.382 6.671 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.874 -10.762 7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.577 -10.623 4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.787 -12.066 5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.337 -12.222 4.653 1.00 0.00 H new ATOM 996 N VAL A 87 -6.080 -9.683 7.211 1.00 0.00 N ATOM 997 CA VAL A 87 -7.323 -8.947 7.134 1.00 0.00 C ATOM 998 C VAL A 87 -7.128 -7.648 6.366 1.00 0.00 C ATOM 999 O VAL A 87 -6.374 -6.762 6.786 1.00 0.00 O ATOM 1000 CB VAL A 87 -7.884 -8.639 8.538 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -9.232 -7.942 8.440 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -7.996 -9.914 9.361 1.00 0.00 C ATOM 0 H VAL A 87 -5.450 -9.369 7.949 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.041 -9.574 6.606 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.191 -7.966 9.042 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.608 -7.735 9.442 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.118 -7.005 7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.937 -8.586 7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.393 -9.676 10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.665 -10.613 8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.010 -10.367 9.466 1.00 0.00 H new ATOM 1012 N ALA A 88 -7.798 -7.551 5.235 1.00 0.00 N ATOM 1013 CA ALA A 88 -7.752 -6.362 4.410 1.00 0.00 C ATOM 1014 C ALA A 88 -9.167 -5.896 4.123 1.00 0.00 C ATOM 1015 O ALA A 88 -10.102 -6.693 4.144 1.00 0.00 O ATOM 1016 CB ALA A 88 -7.003 -6.639 3.114 1.00 0.00 C ATOM 0 H ALA A 88 -8.389 -8.294 4.863 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.218 -5.575 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.979 -5.734 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.984 -6.950 3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.510 -7.432 2.563 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.338 -4.615 3.880 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.655 -4.094 3.575 1.00 0.00 C ATOM 1024 C GLU A 89 -10.696 -3.555 2.156 1.00 0.00 C ATOM 1025 O GLU A 89 -9.716 -2.990 1.665 1.00 0.00 O ATOM 1026 CB GLU A 89 -11.065 -3.033 4.594 1.00 0.00 C ATOM 1027 CG GLU A 89 -11.009 -3.552 6.022 1.00 0.00 C ATOM 1028 CD GLU A 89 -12.132 -3.031 6.885 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -13.259 -3.560 6.779 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -11.898 -2.098 7.677 1.00 0.00 O ATOM 0 H GLU A 89 -8.591 -3.920 3.887 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.378 -4.907 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.409 -2.168 4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.076 -2.692 4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.045 -4.641 6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.055 -3.270 6.468 1.00 0.00 H new ATOM 1037 N VAL A 90 -11.829 -3.755 1.502 1.00 0.00 N ATOM 1038 CA VAL A 90 -11.976 -3.432 0.092 1.00 0.00 C ATOM 1039 C VAL A 90 -12.538 -2.029 -0.090 1.00 0.00 C ATOM 1040 O VAL A 90 -13.518 -1.652 0.555 1.00 0.00 O ATOM 1041 CB VAL A 90 -12.903 -4.445 -0.616 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -12.965 -4.179 -2.113 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -12.447 -5.871 -0.343 1.00 0.00 C ATOM 0 H VAL A 90 -12.669 -4.144 1.931 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.984 -3.482 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.907 -4.320 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.625 -4.907 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.349 -3.174 -2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -11.966 -4.265 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.113 -6.569 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.430 -6.005 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.471 -6.061 0.730 1.00 0.00 H new ATOM 1053 N TYR A 91 -11.911 -1.265 -0.970 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.359 0.082 -1.275 1.00 0.00 C ATOM 1055 C TYR A 91 -12.484 0.265 -2.780 1.00 0.00 C ATOM 1056 O TYR A 91 -11.740 -0.339 -3.555 1.00 0.00 O ATOM 1057 CB TYR A 91 -11.384 1.117 -0.711 1.00 0.00 C ATOM 1058 CG TYR A 91 -11.223 1.057 0.788 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -12.156 1.646 1.632 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -10.128 0.422 1.359 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -12.001 1.602 3.004 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -9.968 0.372 2.729 1.00 0.00 C ATOM 1063 CZ TYR A 91 -10.905 0.964 3.547 1.00 0.00 C ATOM 1064 OH TYR A 91 -10.740 0.923 4.911 1.00 0.00 O ATOM 0 H TYR A 91 -11.084 -1.559 -1.489 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.334 0.230 -0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -10.409 0.974 -1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -11.727 2.113 -0.990 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -13.015 2.146 1.209 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.390 -0.040 0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.734 2.065 3.648 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.112 -0.129 3.158 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.918 0.435 5.127 1.00 0.00 H new ATOM 1074 N ASN A 92 -13.439 1.077 -3.192 1.00 0.00 N ATOM 1075 CA ASN A 92 -13.621 1.378 -4.602 1.00 0.00 C ATOM 1076 C ASN A 92 -14.372 2.692 -4.755 1.00 0.00 C ATOM 1077 O ASN A 92 -15.026 3.148 -3.819 1.00 0.00 O ATOM 1078 CB ASN A 92 -14.378 0.237 -5.295 1.00 0.00 C ATOM 1079 CG ASN A 92 -14.447 0.400 -6.801 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -13.590 1.037 -7.411 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -15.450 -0.207 -7.413 1.00 0.00 N ATOM 0 H ASN A 92 -14.102 1.541 -2.571 1.00 0.00 H new ATOM 0 HA ASN A 92 -12.644 1.476 -5.076 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.892 -0.710 -5.060 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.390 0.184 -4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.533 -0.157 -8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.140 -0.725 -6.870 1.00 0.00 H new ATOM 1088 N ASP A 93 -14.261 3.306 -5.920 1.00 0.00 N ATOM 1089 CA ASP A 93 -14.973 4.542 -6.196 1.00 0.00 C ATOM 1090 C ASP A 93 -16.448 4.240 -6.441 1.00 0.00 C ATOM 1091 O ASP A 93 -16.823 3.086 -6.660 1.00 0.00 O ATOM 1092 CB ASP A 93 -14.357 5.254 -7.405 1.00 0.00 C ATOM 1093 CG ASP A 93 -15.005 6.596 -7.685 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -14.908 7.496 -6.828 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -15.615 6.755 -8.762 1.00 0.00 O ATOM 0 H ASP A 93 -13.684 2.969 -6.691 1.00 0.00 H new ATOM 0 HA ASP A 93 -14.888 5.204 -5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.291 5.399 -7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -14.454 4.618 -8.285 1.00 0.00 H new ATOM 1100 N ALA A 94 -17.284 5.267 -6.388 1.00 0.00 N ATOM 1101 CA ALA A 94 -18.718 5.092 -6.569 1.00 0.00 C ATOM 1102 C ALA A 94 -19.057 4.732 -8.014 1.00 0.00 C ATOM 1103 O ALA A 94 -19.347 5.601 -8.834 1.00 0.00 O ATOM 1104 CB ALA A 94 -19.468 6.344 -6.140 1.00 0.00 C ATOM 0 H ALA A 94 -16.994 6.231 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 94 -19.034 4.263 -5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -20.538 6.194 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -19.267 6.546 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -19.137 7.191 -6.742 1.00 0.00 H new ATOM 1290 N ALA B 22 8.485 -0.886 -8.196 1.00 0.00 N ATOM 1291 CA ALA B 22 8.378 -0.536 -6.764 1.00 0.00 C ATOM 1292 C ALA B 22 6.923 -0.507 -6.313 1.00 0.00 C ATOM 1293 O ALA B 22 6.073 0.122 -6.948 1.00 0.00 O ATOM 1294 CB ALA B 22 9.041 0.808 -6.497 1.00 0.00 C ATOM 0 HA ALA B 22 8.895 -1.305 -6.189 1.00 0.00 H new ATOM 0 HB1 ALA B 22 8.954 1.053 -5.438 1.00 0.00 H new ATOM 0 HB2 ALA B 22 10.094 0.755 -6.772 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.550 1.580 -7.089 1.00 0.00 H new ATOM 1302 N GLU B 23 6.642 -1.198 -5.217 1.00 0.00 N ATOM 1303 CA GLU B 23 5.301 -1.236 -4.649 1.00 0.00 C ATOM 1304 C GLU B 23 5.333 -0.754 -3.207 1.00 0.00 C ATOM 1305 O GLU B 23 6.392 -0.728 -2.583 1.00 0.00 O ATOM 1306 CB GLU B 23 4.729 -2.653 -4.714 1.00 0.00 C ATOM 1307 CG GLU B 23 4.387 -3.106 -6.122 1.00 0.00 C ATOM 1308 CD GLU B 23 3.921 -4.546 -6.179 1.00 0.00 C ATOM 1309 OE1 GLU B 23 3.064 -4.933 -5.360 1.00 0.00 O ATOM 1310 OE2 GLU B 23 4.398 -5.294 -7.059 1.00 0.00 O ATOM 0 H GLU B 23 7.331 -1.744 -4.700 1.00 0.00 H new ATOM 0 HA GLU B 23 4.659 -0.576 -5.232 1.00 0.00 H new ATOM 0 HB2 GLU B 23 5.450 -3.347 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU B 23 3.832 -2.702 -4.097 1.00 0.00 H new ATOM 0 HG2 GLU B 23 3.608 -2.461 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU B 23 5.263 -2.987 -6.760 1.00 0.00 H new ATOM 1317 N GLN B 24 4.182 -0.363 -2.680 1.00 0.00 N ATOM 1318 CA GLN B 24 4.119 0.093 -1.304 1.00 0.00 C ATOM 1319 C GLN B 24 3.471 -0.957 -0.423 1.00 0.00 C ATOM 1320 O GLN B 24 2.548 -1.658 -0.842 1.00 0.00 O ATOM 1321 CB GLN B 24 3.377 1.427 -1.172 1.00 0.00 C ATOM 1322 CG GLN B 24 1.884 1.366 -1.439 1.00 0.00 C ATOM 1323 CD GLN B 24 1.189 2.653 -1.041 1.00 0.00 C ATOM 1324 OE1 GLN B 24 1.628 3.346 -0.118 1.00 0.00 O ATOM 1325 NE2 GLN B 24 0.105 2.976 -1.725 1.00 0.00 N ATOM 0 H GLN B 24 3.292 -0.353 -3.178 1.00 0.00 H new ATOM 0 HA GLN B 24 5.145 0.254 -0.972 1.00 0.00 H new ATOM 0 HB2 GLN B 24 3.534 1.814 -0.165 1.00 0.00 H new ATOM 0 HB3 GLN B 24 3.824 2.143 -1.862 1.00 0.00 H new ATOM 0 HG2 GLN B 24 1.712 1.172 -2.498 1.00 0.00 H new ATOM 0 HG3 GLN B 24 1.450 0.532 -0.887 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -0.220 2.372 -2.480 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -0.406 3.829 -1.498 1.00 0.00 H new ATOM 1334 N VAL B 25 3.971 -1.066 0.791 1.00 0.00 N ATOM 1335 CA VAL B 25 3.449 -2.020 1.754 1.00 0.00 C ATOM 1336 C VAL B 25 3.233 -1.334 3.093 1.00 0.00 C ATOM 1337 O VAL B 25 3.832 -0.289 3.361 1.00 0.00 O ATOM 1338 CB VAL B 25 4.401 -3.226 1.938 1.00 0.00 C ATOM 1339 CG1 VAL B 25 4.454 -4.073 0.676 1.00 0.00 C ATOM 1340 CG2 VAL B 25 5.796 -2.757 2.319 1.00 0.00 C ATOM 0 H VAL B 25 4.746 -0.501 1.138 1.00 0.00 H new ATOM 0 HA VAL B 25 2.500 -2.395 1.370 1.00 0.00 H new ATOM 0 HB VAL B 25 4.010 -3.842 2.748 1.00 0.00 H new ATOM 0 HG11 VAL B 25 5.130 -4.914 0.831 1.00 0.00 H new ATOM 0 HG12 VAL B 25 3.456 -4.447 0.446 1.00 0.00 H new ATOM 0 HG13 VAL B 25 4.814 -3.466 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL B 25 6.449 -3.621 2.443 1.00 0.00 H new ATOM 0 HG22 VAL B 25 6.191 -2.114 1.533 1.00 0.00 H new ATOM 0 HG23 VAL B 25 5.750 -2.200 3.255 1.00 0.00 H new ATOM 1350 N SER B 26 2.379 -1.902 3.924 1.00 0.00 N ATOM 1351 CA SER B 26 2.112 -1.339 5.232 1.00 0.00 C ATOM 1352 C SER B 26 3.142 -1.860 6.230 1.00 0.00 C ATOM 1353 O SER B 26 3.923 -2.759 5.907 1.00 0.00 O ATOM 1354 CB SER B 26 0.692 -1.695 5.674 1.00 0.00 C ATOM 1355 OG SER B 26 -0.256 -1.333 4.679 1.00 0.00 O ATOM 0 H SER B 26 1.858 -2.754 3.715 1.00 0.00 H new ATOM 0 HA SER B 26 2.190 -0.253 5.187 1.00 0.00 H new ATOM 0 HB2 SER B 26 0.626 -2.765 5.872 1.00 0.00 H new ATOM 0 HB3 SER B 26 0.459 -1.183 6.607 1.00 0.00 H new ATOM 0 HG SER B 26 -0.550 -2.136 4.199 1.00 0.00 H new ATOM 1361 N LYS B 27 3.152 -1.298 7.436 1.00 0.00 N ATOM 1362 CA LYS B 27 4.121 -1.694 8.456 1.00 0.00 C ATOM 1363 C LYS B 27 4.004 -3.186 8.753 1.00 0.00 C ATOM 1364 O LYS B 27 4.982 -3.837 9.127 1.00 0.00 O ATOM 1365 CB LYS B 27 3.911 -0.880 9.735 1.00 0.00 C ATOM 1366 CG LYS B 27 4.999 -1.097 10.774 1.00 0.00 C ATOM 1367 CD LYS B 27 4.759 -0.267 12.022 1.00 0.00 C ATOM 1368 CE LYS B 27 5.884 -0.452 13.027 1.00 0.00 C ATOM 1369 NZ LYS B 27 5.648 0.320 14.273 1.00 0.00 N ATOM 0 H LYS B 27 2.502 -0.569 7.731 1.00 0.00 H new ATOM 0 HA LYS B 27 5.123 -1.494 8.076 1.00 0.00 H new ATOM 0 HB2 LYS B 27 3.868 0.179 9.480 1.00 0.00 H new ATOM 0 HB3 LYS B 27 2.946 -1.142 10.170 1.00 0.00 H new ATOM 0 HG2 LYS B 27 5.041 -2.153 11.042 1.00 0.00 H new ATOM 0 HG3 LYS B 27 5.967 -0.838 10.346 1.00 0.00 H new ATOM 0 HD2 LYS B 27 4.678 0.786 11.752 1.00 0.00 H new ATOM 0 HD3 LYS B 27 3.811 -0.554 12.476 1.00 0.00 H new ATOM 0 HE2 LYS B 27 5.984 -1.510 13.269 1.00 0.00 H new ATOM 0 HE3 LYS B 27 6.826 -0.138 12.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 6.438 0.166 14.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 5.578 1.333 14.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 4.762 0.003 14.715 1.00 0.00 H new ATOM 1383 N GLN B 28 2.801 -3.715 8.565 1.00 0.00 N ATOM 1384 CA GLN B 28 2.535 -5.130 8.742 1.00 0.00 C ATOM 1385 C GLN B 28 3.453 -5.965 7.854 1.00 0.00 C ATOM 1386 O GLN B 28 4.090 -6.908 8.323 1.00 0.00 O ATOM 1387 CB GLN B 28 1.066 -5.453 8.430 1.00 0.00 C ATOM 1388 CG GLN B 28 0.063 -4.915 9.449 1.00 0.00 C ATOM 1389 CD GLN B 28 -0.348 -3.466 9.217 1.00 0.00 C ATOM 1390 OE1 GLN B 28 0.411 -2.655 8.689 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -1.563 -3.127 9.619 1.00 0.00 N ATOM 0 H GLN B 28 1.985 -3.171 8.285 1.00 0.00 H new ATOM 0 HA GLN B 28 2.732 -5.380 9.784 1.00 0.00 H new ATOM 0 HB2 GLN B 28 0.820 -5.047 7.449 1.00 0.00 H new ATOM 0 HB3 GLN B 28 0.952 -6.535 8.365 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -0.829 -5.541 9.430 1.00 0.00 H new ATOM 0 HG3 GLN B 28 0.493 -5.004 10.447 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -2.169 -3.823 10.054 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -1.893 -2.170 9.494 1.00 0.00 H new ATOM 1400 N GLU B 29 3.533 -5.607 6.577 1.00 0.00 N ATOM 1401 CA GLU B 29 4.402 -6.314 5.647 1.00 0.00 C ATOM 1402 C GLU B 29 5.864 -5.963 5.915 1.00 0.00 C ATOM 1403 O GLU B 29 6.727 -6.843 5.941 1.00 0.00 O ATOM 1404 CB GLU B 29 4.054 -5.983 4.189 1.00 0.00 C ATOM 1405 CG GLU B 29 2.594 -6.211 3.819 1.00 0.00 C ATOM 1406 CD GLU B 29 1.755 -4.954 3.947 1.00 0.00 C ATOM 1407 OE1 GLU B 29 1.467 -4.540 5.086 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.394 -4.363 2.903 1.00 0.00 O ATOM 0 H GLU B 29 3.009 -4.835 6.165 1.00 0.00 H new ATOM 0 HA GLU B 29 4.249 -7.382 5.803 1.00 0.00 H new ATOM 0 HB2 GLU B 29 4.305 -4.940 3.997 1.00 0.00 H new ATOM 0 HB3 GLU B 29 4.680 -6.588 3.533 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.536 -6.579 2.795 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.178 -6.988 4.461 1.00 0.00 H new ATOM 1415 N ILE B 30 6.125 -4.676 6.136 1.00 0.00 N ATOM 1416 CA ILE B 30 7.485 -4.172 6.332 1.00 0.00 C ATOM 1417 C ILE B 30 8.212 -4.916 7.450 1.00 0.00 C ATOM 1418 O ILE B 30 9.323 -5.416 7.258 1.00 0.00 O ATOM 1419 CB ILE B 30 7.484 -2.660 6.659 1.00 0.00 C ATOM 1420 CG1 ILE B 30 6.852 -1.867 5.515 1.00 0.00 C ATOM 1421 CG2 ILE B 30 8.901 -2.167 6.927 1.00 0.00 C ATOM 1422 CD1 ILE B 30 6.664 -0.396 5.820 1.00 0.00 C ATOM 0 H ILE B 30 5.405 -3.956 6.184 1.00 0.00 H new ATOM 0 HA ILE B 30 8.012 -4.341 5.393 1.00 0.00 H new ATOM 0 HB ILE B 30 6.890 -2.505 7.560 1.00 0.00 H new ATOM 0 HG12 ILE B 30 7.477 -1.967 4.628 1.00 0.00 H new ATOM 0 HG13 ILE B 30 5.883 -2.305 5.274 1.00 0.00 H new ATOM 0 HG21 ILE B 30 8.878 -1.101 7.155 1.00 0.00 H new ATOM 0 HG22 ILE B 30 9.321 -2.710 7.773 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.518 -2.336 6.045 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.211 0.099 4.961 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.014 -0.285 6.688 1.00 0.00 H new ATOM 0 HD13 ILE B 30 7.632 0.058 6.031 1.00 0.00 H new ATOM 1434 N SER B 31 7.578 -4.999 8.610 1.00 0.00 N ATOM 1435 CA SER B 31 8.205 -5.593 9.781 1.00 0.00 C ATOM 1436 C SER B 31 8.085 -7.118 9.785 1.00 0.00 C ATOM 1437 O SER B 31 8.707 -7.789 10.610 1.00 0.00 O ATOM 1438 CB SER B 31 7.589 -5.006 11.053 1.00 0.00 C ATOM 1439 OG SER B 31 7.756 -3.597 11.093 1.00 0.00 O ATOM 0 H SER B 31 6.628 -4.662 8.766 1.00 0.00 H new ATOM 0 HA SER B 31 9.268 -5.354 9.747 1.00 0.00 H new ATOM 0 HB2 SER B 31 6.528 -5.252 11.095 1.00 0.00 H new ATOM 0 HB3 SER B 31 8.055 -5.457 11.929 1.00 0.00 H new ATOM 0 HG SER B 31 7.353 -3.243 11.913 1.00 0.00 H new ATOM 1445 N HIS B 32 7.294 -7.669 8.872 1.00 0.00 N ATOM 1446 CA HIS B 32 7.123 -9.117 8.807 1.00 0.00 C ATOM 1447 C HIS B 32 8.075 -9.730 7.786 1.00 0.00 C ATOM 1448 O HIS B 32 8.663 -10.783 8.028 1.00 0.00 O ATOM 1449 CB HIS B 32 5.677 -9.485 8.466 1.00 0.00 C ATOM 1450 CG HIS B 32 5.353 -10.930 8.704 1.00 0.00 C ATOM 1451 ND1 HIS B 32 5.198 -11.465 9.965 1.00 0.00 N ATOM 1452 CD2 HIS B 32 5.156 -11.954 7.838 1.00 0.00 C ATOM 1453 CE1 HIS B 32 4.921 -12.752 9.866 1.00 0.00 C ATOM 1454 NE2 HIS B 32 4.889 -13.072 8.588 1.00 0.00 N ATOM 0 H HIS B 32 6.767 -7.144 8.174 1.00 0.00 H new ATOM 0 HA HIS B 32 7.359 -9.523 9.791 1.00 0.00 H new ATOM 0 HB2 HIS B 32 5.004 -8.868 9.061 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.487 -9.246 7.420 1.00 0.00 H new ATOM 0 HD2 HIS B 32 5.201 -11.900 6.760 1.00 0.00 H new ATOM 0 HE1 HIS B 32 4.750 -13.427 10.691 1.00 0.00 H new ATOM 0 HE2 HIS B 32 4.697 -14.002 8.216 1.00 0.00 H new ATOM 1463 N PHE B 33 8.223 -9.072 6.644 1.00 0.00 N ATOM 1464 CA PHE B 33 9.112 -9.562 5.597 1.00 0.00 C ATOM 1465 C PHE B 33 10.492 -8.929 5.734 1.00 0.00 C ATOM 1466 O PHE B 33 11.424 -9.288 5.016 1.00 0.00 O ATOM 1467 CB PHE B 33 8.518 -9.279 4.214 1.00 0.00 C ATOM 1468 CG PHE B 33 7.193 -9.955 3.991 1.00 0.00 C ATOM 1469 CD1 PHE B 33 7.128 -11.319 3.757 1.00 0.00 C ATOM 1470 CD2 PHE B 33 6.015 -9.227 4.016 1.00 0.00 C ATOM 1471 CE1 PHE B 33 5.911 -11.945 3.558 1.00 0.00 C ATOM 1472 CE2 PHE B 33 4.796 -9.847 3.817 1.00 0.00 C ATOM 1473 CZ PHE B 33 4.744 -11.207 3.586 1.00 0.00 C ATOM 0 H PHE B 33 7.742 -8.201 6.419 1.00 0.00 H new ATOM 0 HA PHE B 33 9.218 -10.641 5.707 1.00 0.00 H new ATOM 0 HB2 PHE B 33 8.395 -8.203 4.091 1.00 0.00 H new ATOM 0 HB3 PHE B 33 9.221 -9.609 3.449 1.00 0.00 H new ATOM 0 HD1 PHE B 33 8.038 -11.900 3.730 1.00 0.00 H new ATOM 0 HD2 PHE B 33 6.049 -8.162 4.193 1.00 0.00 H new ATOM 0 HE1 PHE B 33 5.873 -13.010 3.381 1.00 0.00 H new ATOM 0 HE2 PHE B 33 3.885 -9.268 3.842 1.00 0.00 H new ATOM 0 HZ PHE B 33 3.793 -11.693 3.427 1.00 0.00 H new ATOM 1483 N LYS B 34 10.593 -7.977 6.662 1.00 0.00 N ATOM 1484 CA LYS B 34 11.862 -7.353 7.038 1.00 0.00 C ATOM 1485 C LYS B 34 12.457 -6.548 5.885 1.00 0.00 C ATOM 1486 O LYS B 34 13.216 -7.068 5.065 1.00 0.00 O ATOM 1487 CB LYS B 34 12.862 -8.405 7.536 1.00 0.00 C ATOM 1488 CG LYS B 34 12.343 -9.247 8.696 1.00 0.00 C ATOM 1489 CD LYS B 34 11.998 -8.392 9.905 1.00 0.00 C ATOM 1490 CE LYS B 34 11.475 -9.239 11.055 1.00 0.00 C ATOM 1491 NZ LYS B 34 11.146 -8.412 12.248 1.00 0.00 N ATOM 0 H LYS B 34 9.791 -7.615 7.178 1.00 0.00 H new ATOM 0 HA LYS B 34 11.656 -6.660 7.853 1.00 0.00 H new ATOM 0 HB2 LYS B 34 13.123 -9.065 6.709 1.00 0.00 H new ATOM 0 HB3 LYS B 34 13.779 -7.903 7.845 1.00 0.00 H new ATOM 0 HG2 LYS B 34 11.459 -9.799 8.377 1.00 0.00 H new ATOM 0 HG3 LYS B 34 13.096 -9.984 8.975 1.00 0.00 H new ATOM 0 HD2 LYS B 34 12.883 -7.844 10.229 1.00 0.00 H new ATOM 0 HD3 LYS B 34 11.248 -7.652 9.626 1.00 0.00 H new ATOM 0 HE2 LYS B 34 10.586 -9.780 10.732 1.00 0.00 H new ATOM 0 HE3 LYS B 34 12.222 -9.985 11.325 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 11.073 -9.024 13.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 11.895 -7.707 12.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 10.239 -7.926 12.094 1.00 0.00 H new ATOM 1505 N LEU B 35 12.093 -5.277 5.823 1.00 0.00 N ATOM 1506 CA LEU B 35 12.593 -4.391 4.779 1.00 0.00 C ATOM 1507 C LEU B 35 13.577 -3.372 5.350 1.00 0.00 C ATOM 1508 O LEU B 35 13.466 -2.968 6.510 1.00 0.00 O ATOM 1509 CB LEU B 35 11.428 -3.672 4.099 1.00 0.00 C ATOM 1510 CG LEU B 35 10.392 -4.592 3.449 1.00 0.00 C ATOM 1511 CD1 LEU B 35 9.255 -3.778 2.855 1.00 0.00 C ATOM 1512 CD2 LEU B 35 11.043 -5.459 2.382 1.00 0.00 C ATOM 0 H LEU B 35 11.453 -4.834 6.482 1.00 0.00 H new ATOM 0 HA LEU B 35 13.120 -4.997 4.042 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.925 -3.048 4.837 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.828 -3.004 3.336 1.00 0.00 H new ATOM 0 HG LEU B 35 9.981 -5.245 4.219 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.528 -4.449 2.397 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.771 -3.201 3.643 1.00 0.00 H new ATOM 0 HD13 LEU B 35 9.650 -3.100 2.098 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.291 -6.107 1.931 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.482 -4.822 1.614 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.823 -6.070 2.836 1.00 0.00 H new ATOM 1524 N VAL B 36 14.538 -2.965 4.529 1.00 0.00 N ATOM 1525 CA VAL B 36 15.553 -1.993 4.936 1.00 0.00 C ATOM 1526 C VAL B 36 15.295 -0.658 4.241 1.00 0.00 C ATOM 1527 O VAL B 36 14.992 -0.636 3.056 1.00 0.00 O ATOM 1528 CB VAL B 36 16.970 -2.494 4.566 1.00 0.00 C ATOM 1529 CG1 VAL B 36 18.043 -1.538 5.064 1.00 0.00 C ATOM 1530 CG2 VAL B 36 17.206 -3.895 5.109 1.00 0.00 C ATOM 0 H VAL B 36 14.638 -3.295 3.569 1.00 0.00 H new ATOM 0 HA VAL B 36 15.494 -1.867 6.017 1.00 0.00 H new ATOM 0 HB VAL B 36 17.035 -2.531 3.479 1.00 0.00 H new ATOM 0 HG11 VAL B 36 19.026 -1.919 4.788 1.00 0.00 H new ATOM 0 HG12 VAL B 36 17.894 -0.557 4.613 1.00 0.00 H new ATOM 0 HG13 VAL B 36 17.979 -1.452 6.149 1.00 0.00 H new ATOM 0 HG21 VAL B 36 18.208 -4.227 4.837 1.00 0.00 H new ATOM 0 HG22 VAL B 36 17.109 -3.886 6.195 1.00 0.00 H new ATOM 0 HG23 VAL B 36 16.470 -4.578 4.685 1.00 0.00 H new ATOM 1540 N LYS B 37 15.407 0.452 4.961 1.00 0.00 N ATOM 1541 CA LYS B 37 15.133 1.756 4.363 1.00 0.00 C ATOM 1542 C LYS B 37 16.410 2.390 3.819 1.00 0.00 C ATOM 1543 O LYS B 37 17.412 2.506 4.527 1.00 0.00 O ATOM 1544 CB LYS B 37 14.469 2.701 5.369 1.00 0.00 C ATOM 1545 CG LYS B 37 14.143 4.066 4.777 1.00 0.00 C ATOM 1546 CD LYS B 37 13.418 4.965 5.766 1.00 0.00 C ATOM 1547 CE LYS B 37 14.270 5.273 6.985 1.00 0.00 C ATOM 1548 NZ LYS B 37 13.574 6.188 7.928 1.00 0.00 N ATOM 0 H LYS B 37 15.681 0.478 5.943 1.00 0.00 H new ATOM 0 HA LYS B 37 14.443 1.593 3.535 1.00 0.00 H new ATOM 0 HB2 LYS B 37 13.552 2.243 5.739 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.129 2.831 6.227 1.00 0.00 H new ATOM 0 HG2 LYS B 37 15.065 4.551 4.457 1.00 0.00 H new ATOM 0 HG3 LYS B 37 13.526 3.936 3.888 1.00 0.00 H new ATOM 0 HD2 LYS B 37 13.140 5.897 5.273 1.00 0.00 H new ATOM 0 HD3 LYS B 37 12.493 4.484 6.083 1.00 0.00 H new ATOM 0 HE2 LYS B 37 14.520 4.344 7.498 1.00 0.00 H new ATOM 0 HE3 LYS B 37 15.210 5.725 6.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 13.876 7.167 7.749 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 12.546 6.112 7.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 13.812 5.926 8.906 1.00 0.00 H new ATOM 1562 N VAL B 38 16.361 2.801 2.559 1.00 0.00 N ATOM 1563 CA VAL B 38 17.503 3.435 1.913 1.00 0.00 C ATOM 1564 C VAL B 38 17.478 4.940 2.153 1.00 0.00 C ATOM 1565 O VAL B 38 18.510 5.564 2.408 1.00 0.00 O ATOM 1566 CB VAL B 38 17.511 3.168 0.392 1.00 0.00 C ATOM 1567 CG1 VAL B 38 18.732 3.795 -0.266 1.00 0.00 C ATOM 1568 CG2 VAL B 38 17.462 1.678 0.113 1.00 0.00 C ATOM 0 H VAL B 38 15.540 2.706 1.962 1.00 0.00 H new ATOM 0 HA VAL B 38 18.405 3.005 2.349 1.00 0.00 H new ATOM 0 HB VAL B 38 16.622 3.630 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL B 38 18.713 3.592 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL B 38 18.721 4.872 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.637 3.370 0.168 1.00 0.00 H new ATOM 0 HG21 VAL B 38 17.468 1.509 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL B 38 18.330 1.195 0.561 1.00 0.00 H new ATOM 0 HG23 VAL B 38 16.552 1.257 0.541 1.00 0.00 H new ATOM 1578 N GLY B 39 16.285 5.512 2.074 1.00 0.00 N ATOM 1579 CA GLY B 39 16.123 6.937 2.253 1.00 0.00 C ATOM 1580 C GLY B 39 14.664 7.332 2.240 1.00 0.00 C ATOM 1581 O GLY B 39 13.793 6.480 2.059 1.00 0.00 O ATOM 0 H GLY B 39 15.419 5.007 1.887 1.00 0.00 H new ATOM 0 HA2 GLY B 39 16.575 7.240 3.197 1.00 0.00 H new ATOM 0 HA3 GLY B 39 16.652 7.467 1.461 1.00 0.00 H new ATOM 1585 N THR B 40 14.389 8.609 2.426 1.00 0.00 N ATOM 1586 CA THR B 40 13.023 9.098 2.453 1.00 0.00 C ATOM 1587 C THR B 40 12.786 10.067 1.296 1.00 0.00 C ATOM 1588 O THR B 40 13.578 10.983 1.071 1.00 0.00 O ATOM 1589 CB THR B 40 12.726 9.794 3.795 1.00 0.00 C ATOM 1590 OG1 THR B 40 13.123 8.934 4.872 1.00 0.00 O ATOM 1591 CG2 THR B 40 11.250 10.136 3.932 1.00 0.00 C ATOM 0 H THR B 40 15.097 9.330 2.561 1.00 0.00 H new ATOM 0 HA THR B 40 12.349 8.248 2.345 1.00 0.00 H new ATOM 0 HB THR B 40 13.290 10.726 3.829 1.00 0.00 H new ATOM 0 HG1 THR B 40 12.937 9.374 5.728 1.00 0.00 H new ATOM 0 HG21 THR B 40 11.077 10.626 4.890 1.00 0.00 H new ATOM 0 HG22 THR B 40 10.955 10.806 3.124 1.00 0.00 H new ATOM 0 HG23 THR B 40 10.658 9.222 3.880 1.00 0.00 H new ATOM 1599 N ILE B 41 11.709 9.856 0.559 1.00 0.00 N ATOM 1600 CA ILE B 41 11.411 10.682 -0.599 1.00 0.00 C ATOM 1601 C ILE B 41 10.222 11.590 -0.328 1.00 0.00 C ATOM 1602 O ILE B 41 9.340 11.264 0.469 1.00 0.00 O ATOM 1603 CB ILE B 41 11.127 9.836 -1.858 1.00 0.00 C ATOM 1604 CG1 ILE B 41 9.979 8.852 -1.602 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.386 9.099 -2.291 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.589 8.035 -2.816 1.00 0.00 C ATOM 0 H ILE B 41 11.027 9.120 0.741 1.00 0.00 H new ATOM 0 HA ILE B 41 12.298 11.287 -0.785 1.00 0.00 H new ATOM 0 HB ILE B 41 10.823 10.503 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.266 8.175 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE B 41 9.108 9.408 -1.255 1.00 0.00 H new ATOM 0 HG21 ILE B 41 12.173 8.506 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE B 41 13.171 9.821 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE B 41 12.717 8.442 -1.487 1.00 0.00 H new ATOM 0 HD11 ILE B 41 8.771 7.363 -2.555 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.269 8.702 -3.616 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.446 7.451 -3.152 1.00 0.00 H new ATOM 1618 N ASN B 42 10.212 12.732 -0.986 1.00 0.00 N ATOM 1619 CA ASN B 42 9.128 13.684 -0.841 1.00 0.00 C ATOM 1620 C ASN B 42 8.732 14.215 -2.206 1.00 0.00 C ATOM 1621 O ASN B 42 9.545 14.819 -2.908 1.00 0.00 O ATOM 1622 CB ASN B 42 9.543 14.836 0.081 1.00 0.00 C ATOM 1623 CG ASN B 42 8.448 15.876 0.251 1.00 0.00 C ATOM 1624 OD1 ASN B 42 7.261 15.572 0.151 1.00 0.00 O ATOM 1625 ND2 ASN B 42 8.840 17.109 0.523 1.00 0.00 N ATOM 0 H ASN B 42 10.947 13.025 -1.630 1.00 0.00 H new ATOM 0 HA ASN B 42 8.272 13.181 -0.391 1.00 0.00 H new ATOM 0 HB2 ASN B 42 9.812 14.435 1.058 1.00 0.00 H new ATOM 0 HB3 ASN B 42 10.434 15.316 -0.323 1.00 0.00 H new ATOM 0 HD21 ASN B 42 8.148 17.846 0.658 1.00 0.00 H new ATOM 0 HD22 ASN B 42 9.834 17.323 0.598 1.00 0.00 H new ATOM 1632 N VAL B 43 7.489 13.975 -2.584 1.00 0.00 N ATOM 1633 CA VAL B 43 6.987 14.425 -3.867 1.00 0.00 C ATOM 1634 C VAL B 43 6.147 15.678 -3.681 1.00 0.00 C ATOM 1635 O VAL B 43 4.997 15.607 -3.255 1.00 0.00 O ATOM 1636 CB VAL B 43 6.135 13.338 -4.561 1.00 0.00 C ATOM 1637 CG1 VAL B 43 5.727 13.780 -5.959 1.00 0.00 C ATOM 1638 CG2 VAL B 43 6.887 12.017 -4.618 1.00 0.00 C ATOM 0 H VAL B 43 6.808 13.469 -2.018 1.00 0.00 H new ATOM 0 HA VAL B 43 7.847 14.640 -4.501 1.00 0.00 H new ATOM 0 HB VAL B 43 5.230 13.192 -3.971 1.00 0.00 H new ATOM 0 HG11 VAL B 43 5.128 12.999 -6.427 1.00 0.00 H new ATOM 0 HG12 VAL B 43 5.141 14.697 -5.894 1.00 0.00 H new ATOM 0 HG13 VAL B 43 6.619 13.962 -6.558 1.00 0.00 H new ATOM 0 HG21 VAL B 43 6.268 11.267 -5.110 1.00 0.00 H new ATOM 0 HG22 VAL B 43 7.812 12.149 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL B 43 7.120 11.687 -3.606 1.00 0.00 H new ATOM 1648 N SER B 44 6.743 16.821 -3.973 1.00 0.00 N ATOM 1649 CA SER B 44 6.058 18.094 -3.863 1.00 0.00 C ATOM 1650 C SER B 44 5.723 18.615 -5.250 1.00 0.00 C ATOM 1651 O SER B 44 6.616 18.927 -6.038 1.00 0.00 O ATOM 1652 CB SER B 44 6.939 19.096 -3.122 1.00 0.00 C ATOM 1653 OG SER B 44 7.392 18.550 -1.896 1.00 0.00 O ATOM 0 H SER B 44 7.710 16.891 -4.291 1.00 0.00 H new ATOM 0 HA SER B 44 5.133 17.959 -3.302 1.00 0.00 H new ATOM 0 HB2 SER B 44 7.793 19.367 -3.743 1.00 0.00 H new ATOM 0 HB3 SER B 44 6.379 20.012 -2.934 1.00 0.00 H new ATOM 0 HG SER B 44 7.957 19.205 -1.435 1.00 0.00 H new ATOM 1659 N GLN B 45 4.439 18.692 -5.550 1.00 0.00 N ATOM 1660 CA GLN B 45 3.996 19.097 -6.874 1.00 0.00 C ATOM 1661 C GLN B 45 3.056 20.287 -6.779 1.00 0.00 C ATOM 1662 O GLN B 45 1.998 20.213 -6.150 1.00 0.00 O ATOM 1663 CB GLN B 45 3.313 17.929 -7.589 1.00 0.00 C ATOM 1664 CG GLN B 45 4.225 16.727 -7.786 1.00 0.00 C ATOM 1665 CD GLN B 45 5.477 17.064 -8.577 1.00 0.00 C ATOM 1666 OE1 GLN B 45 5.459 17.918 -9.463 1.00 0.00 O ATOM 1667 NE2 GLN B 45 6.578 16.404 -8.256 1.00 0.00 N ATOM 0 H GLN B 45 3.685 18.480 -4.897 1.00 0.00 H new ATOM 0 HA GLN B 45 4.869 19.394 -7.455 1.00 0.00 H new ATOM 0 HB2 GLN B 45 2.438 17.622 -7.015 1.00 0.00 H new ATOM 0 HB3 GLN B 45 2.954 18.267 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN B 45 4.511 16.330 -6.812 1.00 0.00 H new ATOM 0 HG3 GLN B 45 3.675 15.940 -8.302 1.00 0.00 H new ATOM 0 HE21 GLN B 45 6.555 15.703 -7.516 1.00 0.00 H new ATOM 0 HE22 GLN B 45 7.450 16.597 -8.749 1.00 0.00 H new ATOM 1676 N SER B 46 3.463 21.383 -7.396 1.00 0.00 N ATOM 1677 CA SER B 46 2.690 22.610 -7.373 1.00 0.00 C ATOM 1678 C SER B 46 1.456 22.490 -8.263 1.00 0.00 C ATOM 1679 O SER B 46 1.547 22.548 -9.491 1.00 0.00 O ATOM 1680 CB SER B 46 3.567 23.782 -7.826 1.00 0.00 C ATOM 1681 OG SER B 46 2.866 25.013 -7.764 1.00 0.00 O ATOM 0 H SER B 46 4.334 21.446 -7.924 1.00 0.00 H new ATOM 0 HA SER B 46 2.352 22.792 -6.353 1.00 0.00 H new ATOM 0 HB2 SER B 46 4.456 23.837 -7.197 1.00 0.00 H new ATOM 0 HB3 SER B 46 3.909 23.608 -8.846 1.00 0.00 H new ATOM 0 HG SER B 46 3.454 25.740 -8.058 1.00 0.00 H new ATOM 1687 N GLY B 47 0.308 22.291 -7.632 1.00 0.00 N ATOM 1688 CA GLY B 47 -0.948 22.266 -8.350 1.00 0.00 C ATOM 1689 C GLY B 47 -1.278 20.905 -8.922 1.00 0.00 C ATOM 1690 O GLY B 47 -0.935 19.876 -8.338 1.00 0.00 O ATOM 0 H GLY B 47 0.225 22.145 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -1.749 22.575 -7.679 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -0.911 22.995 -9.160 1.00 0.00 H new ATOM 1694 N GLY B 48 -1.927 20.903 -10.080 1.00 0.00 N ATOM 1695 CA GLY B 48 -2.381 19.666 -10.687 1.00 0.00 C ATOM 1696 C GLY B 48 -1.291 18.941 -11.451 1.00 0.00 C ATOM 1697 O GLY B 48 -1.532 18.412 -12.537 1.00 0.00 O ATOM 0 H GLY B 48 -2.148 21.744 -10.613 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -2.770 19.008 -9.909 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -3.208 19.883 -11.364 1.00 0.00 H new ATOM 1701 N GLN B 49 -0.092 18.906 -10.884 1.00 0.00 N ATOM 1702 CA GLN B 49 1.011 18.173 -11.484 1.00 0.00 C ATOM 1703 C GLN B 49 0.779 16.679 -11.275 1.00 0.00 C ATOM 1704 O GLN B 49 1.215 15.843 -12.063 1.00 0.00 O ATOM 1705 CB GLN B 49 2.338 18.614 -10.861 1.00 0.00 C ATOM 1706 CG GLN B 49 3.431 18.916 -11.877 1.00 0.00 C ATOM 1707 CD GLN B 49 3.853 17.699 -12.676 1.00 0.00 C ATOM 1708 OE1 GLN B 49 3.306 17.419 -13.745 1.00 0.00 O ATOM 1709 NE2 GLN B 49 4.826 16.967 -12.160 1.00 0.00 N ATOM 0 H GLN B 49 0.140 19.377 -10.010 1.00 0.00 H new ATOM 0 HA GLN B 49 1.060 18.382 -12.553 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.165 19.503 -10.254 1.00 0.00 H new ATOM 0 HB3 GLN B 49 2.689 17.832 -10.188 1.00 0.00 H new ATOM 0 HG2 GLN B 49 3.079 19.688 -12.561 1.00 0.00 H new ATOM 0 HG3 GLN B 49 4.299 19.321 -11.358 1.00 0.00 H new ATOM 0 HE21 GLN B 49 5.251 17.236 -11.272 1.00 0.00 H new ATOM 0 HE22 GLN B 49 5.152 16.134 -12.650 1.00 0.00 H new ATOM 1718 N ILE B 50 0.075 16.362 -10.197 1.00 0.00 N ATOM 1719 CA ILE B 50 -0.403 15.013 -9.953 1.00 0.00 C ATOM 1720 C ILE B 50 -1.920 15.004 -10.060 1.00 0.00 C ATOM 1721 O ILE B 50 -2.602 15.763 -9.370 1.00 0.00 O ATOM 1722 CB ILE B 50 0.027 14.483 -8.567 1.00 0.00 C ATOM 1723 CG1 ILE B 50 1.546 14.303 -8.520 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -0.678 13.171 -8.243 1.00 0.00 C ATOM 1725 CD1 ILE B 50 2.049 13.726 -7.216 1.00 0.00 C ATOM 0 H ILE B 50 -0.179 17.032 -9.471 1.00 0.00 H new ATOM 0 HA ILE B 50 0.040 14.355 -10.701 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.263 15.215 -7.813 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.851 13.650 -9.338 1.00 0.00 H new ATOM 0 HG13 ILE B 50 2.023 15.269 -8.688 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -0.358 12.819 -7.262 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.756 13.329 -8.238 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.424 12.426 -8.997 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.134 13.627 -7.256 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.775 14.389 -6.395 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.601 12.745 -7.055 1.00 0.00 H new ATOM 1737 N SER B 51 -2.444 14.171 -10.939 1.00 0.00 N ATOM 1738 CA SER B 51 -3.871 14.152 -11.201 1.00 0.00 C ATOM 1739 C SER B 51 -4.528 12.929 -10.569 1.00 0.00 C ATOM 1740 O SER B 51 -5.480 13.055 -9.797 1.00 0.00 O ATOM 1741 CB SER B 51 -4.107 14.177 -12.709 1.00 0.00 C ATOM 1742 OG SER B 51 -3.359 15.227 -13.306 1.00 0.00 O ATOM 0 H SER B 51 -1.904 13.499 -11.484 1.00 0.00 H new ATOM 0 HA SER B 51 -4.326 15.035 -10.752 1.00 0.00 H new ATOM 0 HB2 SER B 51 -3.818 13.221 -13.145 1.00 0.00 H new ATOM 0 HB3 SER B 51 -5.168 14.314 -12.916 1.00 0.00 H new ATOM 0 HG SER B 51 -3.517 15.232 -14.273 1.00 0.00 H new ATOM 1748 N SER B 52 -4.006 11.755 -10.882 1.00 0.00 N ATOM 1749 CA SER B 52 -4.554 10.514 -10.361 1.00 0.00 C ATOM 1750 C SER B 52 -3.486 9.754 -9.570 1.00 0.00 C ATOM 1751 O SER B 52 -2.307 10.119 -9.609 1.00 0.00 O ATOM 1752 CB SER B 52 -5.075 9.662 -11.522 1.00 0.00 C ATOM 1753 OG SER B 52 -5.978 10.401 -12.330 1.00 0.00 O ATOM 0 H SER B 52 -3.201 11.635 -11.496 1.00 0.00 H new ATOM 0 HA SER B 52 -5.380 10.738 -9.686 1.00 0.00 H new ATOM 0 HB2 SER B 52 -4.238 9.317 -12.129 1.00 0.00 H new ATOM 0 HB3 SER B 52 -5.573 8.775 -11.132 1.00 0.00 H new ATOM 0 HG SER B 52 -6.296 9.837 -13.066 1.00 0.00 H new ATOM 1759 N PRO B 53 -3.876 8.698 -8.823 1.00 0.00 N ATOM 1760 CA PRO B 53 -2.927 7.845 -8.096 1.00 0.00 C ATOM 1761 C PRO B 53 -1.833 7.293 -9.008 1.00 0.00 C ATOM 1762 O PRO B 53 -0.714 7.031 -8.563 1.00 0.00 O ATOM 1763 CB PRO B 53 -3.794 6.702 -7.544 1.00 0.00 C ATOM 1764 CG PRO B 53 -5.106 6.816 -8.249 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.264 8.266 -8.598 1.00 0.00 C ATOM 0 HA PRO B 53 -2.403 8.401 -7.319 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -3.331 5.733 -7.732 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -3.920 6.791 -6.465 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -5.123 6.195 -9.145 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -5.922 6.477 -7.611 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -5.880 8.404 -9.487 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -5.737 8.827 -7.792 1.00 0.00 H new ATOM 1773 N SER B 54 -2.164 7.129 -10.286 1.00 0.00 N ATOM 1774 CA SER B 54 -1.202 6.685 -11.283 1.00 0.00 C ATOM 1775 C SER B 54 -0.018 7.650 -11.364 1.00 0.00 C ATOM 1776 O SER B 54 1.132 7.220 -11.437 1.00 0.00 O ATOM 1777 CB SER B 54 -1.885 6.564 -12.646 1.00 0.00 C ATOM 1778 OG SER B 54 -2.990 5.676 -12.576 1.00 0.00 O ATOM 0 H SER B 54 -3.100 7.299 -10.655 1.00 0.00 H new ATOM 0 HA SER B 54 -0.821 5.707 -10.988 1.00 0.00 H new ATOM 0 HB2 SER B 54 -2.222 7.546 -12.978 1.00 0.00 H new ATOM 0 HB3 SER B 54 -1.170 6.205 -13.386 1.00 0.00 H new ATOM 0 HG SER B 54 -3.415 5.613 -13.457 1.00 0.00 H new ATOM 1784 N ASP B 55 -0.305 8.951 -11.331 1.00 0.00 N ATOM 1785 CA ASP B 55 0.744 9.969 -11.329 1.00 0.00 C ATOM 1786 C ASP B 55 1.574 9.850 -10.063 1.00 0.00 C ATOM 1787 O ASP B 55 2.804 9.832 -10.107 1.00 0.00 O ATOM 1788 CB ASP B 55 0.151 11.382 -11.392 1.00 0.00 C ATOM 1789 CG ASP B 55 -0.599 11.667 -12.673 1.00 0.00 C ATOM 1790 OD1 ASP B 55 0.049 12.028 -13.677 1.00 0.00 O ATOM 1791 OD2 ASP B 55 -1.843 11.554 -12.670 1.00 0.00 O ATOM 0 H ASP B 55 -1.254 9.324 -11.305 1.00 0.00 H new ATOM 0 HA ASP B 55 1.365 9.806 -12.210 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -0.523 11.522 -10.547 1.00 0.00 H new ATOM 0 HB3 ASP B 55 0.955 12.110 -11.282 1.00 0.00 H new ATOM 1796 N LEU B 56 0.876 9.761 -8.937 1.00 0.00 N ATOM 1797 CA LEU B 56 1.514 9.687 -7.630 1.00 0.00 C ATOM 1798 C LEU B 56 2.487 8.513 -7.558 1.00 0.00 C ATOM 1799 O LEU B 56 3.672 8.697 -7.279 1.00 0.00 O ATOM 1800 CB LEU B 56 0.451 9.559 -6.535 1.00 0.00 C ATOM 1801 CG LEU B 56 0.984 9.534 -5.101 1.00 0.00 C ATOM 1802 CD1 LEU B 56 1.722 10.825 -4.781 1.00 0.00 C ATOM 1803 CD2 LEU B 56 -0.154 9.311 -4.116 1.00 0.00 C ATOM 0 H LEU B 56 -0.143 9.738 -8.905 1.00 0.00 H new ATOM 0 HA LEU B 56 2.081 10.605 -7.475 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.246 10.391 -6.631 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.117 8.645 -6.709 1.00 0.00 H new ATOM 0 HG LEU B 56 1.688 8.707 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU B 56 2.093 10.788 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU B 56 2.561 10.944 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU B 56 1.042 11.670 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.242 9.296 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -0.880 10.118 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -0.640 8.359 -4.331 1.00 0.00 H new ATOM 1815 N ARG B 57 1.989 7.312 -7.841 1.00 0.00 N ATOM 1816 CA ARG B 57 2.804 6.105 -7.744 1.00 0.00 C ATOM 1817 C ARG B 57 3.945 6.121 -8.756 1.00 0.00 C ATOM 1818 O ARG B 57 5.019 5.585 -8.491 1.00 0.00 O ATOM 1819 CB ARG B 57 1.952 4.848 -7.948 1.00 0.00 C ATOM 1820 CG ARG B 57 0.865 4.662 -6.902 1.00 0.00 C ATOM 1821 CD ARG B 57 0.215 3.292 -7.017 1.00 0.00 C ATOM 1822 NE ARG B 57 1.145 2.211 -6.673 1.00 0.00 N ATOM 1823 CZ ARG B 57 0.912 0.916 -6.909 1.00 0.00 C ATOM 1824 NH1 ARG B 57 -0.191 0.536 -7.542 1.00 0.00 N ATOM 1825 NH2 ARG B 57 1.795 -0.001 -6.528 1.00 0.00 N ATOM 0 H ARG B 57 1.027 7.149 -8.139 1.00 0.00 H new ATOM 0 HA ARG B 57 3.230 6.085 -6.741 1.00 0.00 H new ATOM 0 HB2 ARG B 57 1.490 4.891 -8.934 1.00 0.00 H new ATOM 0 HB3 ARG B 57 2.604 3.974 -7.939 1.00 0.00 H new ATOM 0 HG2 ARG B 57 1.292 4.782 -5.906 1.00 0.00 H new ATOM 0 HG3 ARG B 57 0.108 5.437 -7.020 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -0.653 3.246 -6.359 1.00 0.00 H new ATOM 0 HD3 ARG B 57 -0.148 3.147 -8.034 1.00 0.00 H new ATOM 0 HE ARG B 57 2.026 2.464 -6.225 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -0.867 1.234 -7.852 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -0.362 -0.454 -7.719 1.00 0.00 H new ATOM 0 HH21 ARG B 57 2.653 0.283 -6.054 1.00 0.00 H new ATOM 0 HH22 ARG B 57 1.615 -0.989 -6.709 1.00 0.00 H new ATOM 1839 N GLU B 58 3.712 6.751 -9.903 1.00 0.00 N ATOM 1840 CA GLU B 58 4.708 6.805 -10.968 1.00 0.00 C ATOM 1841 C GLU B 58 5.922 7.622 -10.529 1.00 0.00 C ATOM 1842 O GLU B 58 7.064 7.280 -10.837 1.00 0.00 O ATOM 1843 CB GLU B 58 4.094 7.415 -12.230 1.00 0.00 C ATOM 1844 CG GLU B 58 4.928 7.209 -13.483 1.00 0.00 C ATOM 1845 CD GLU B 58 5.085 5.745 -13.842 1.00 0.00 C ATOM 1846 OE1 GLU B 58 4.123 5.148 -14.367 1.00 0.00 O ATOM 1847 OE2 GLU B 58 6.173 5.185 -13.609 1.00 0.00 O ATOM 0 H GLU B 58 2.839 7.233 -10.119 1.00 0.00 H new ATOM 0 HA GLU B 58 5.036 5.789 -11.186 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.106 6.981 -12.388 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.951 8.484 -12.072 1.00 0.00 H new ATOM 0 HG2 GLU B 58 4.463 7.736 -14.316 1.00 0.00 H new ATOM 0 HG3 GLU B 58 5.913 7.651 -13.336 1.00 0.00 H new ATOM 1854 N LYS B 59 5.672 8.703 -9.806 1.00 0.00 N ATOM 1855 CA LYS B 59 6.753 9.542 -9.314 1.00 0.00 C ATOM 1856 C LYS B 59 7.382 8.913 -8.079 1.00 0.00 C ATOM 1857 O LYS B 59 8.590 9.017 -7.864 1.00 0.00 O ATOM 1858 CB LYS B 59 6.248 10.950 -9.002 1.00 0.00 C ATOM 1859 CG LYS B 59 5.474 11.574 -10.152 1.00 0.00 C ATOM 1860 CD LYS B 59 5.362 13.082 -10.015 1.00 0.00 C ATOM 1861 CE LYS B 59 6.695 13.760 -10.293 1.00 0.00 C ATOM 1862 NZ LYS B 59 7.184 13.477 -11.670 1.00 0.00 N ATOM 0 H LYS B 59 4.737 9.018 -9.548 1.00 0.00 H new ATOM 0 HA LYS B 59 7.512 9.621 -10.092 1.00 0.00 H new ATOM 0 HB2 LYS B 59 5.609 10.913 -8.120 1.00 0.00 H new ATOM 0 HB3 LYS B 59 7.097 11.588 -8.755 1.00 0.00 H new ATOM 0 HG2 LYS B 59 5.967 11.332 -11.094 1.00 0.00 H new ATOM 0 HG3 LYS B 59 4.475 11.139 -10.194 1.00 0.00 H new ATOM 0 HD2 LYS B 59 4.609 13.458 -10.707 1.00 0.00 H new ATOM 0 HD3 LYS B 59 5.025 13.334 -9.010 1.00 0.00 H new ATOM 0 HE2 LYS B 59 6.590 14.837 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS B 59 7.434 13.419 -9.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 7.872 14.204 -11.950 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 7.640 12.542 -11.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 6.382 13.486 -12.332 1.00 0.00 H new ATOM 1876 N LEU B 60 6.555 8.246 -7.280 1.00 0.00 N ATOM 1877 CA LEU B 60 7.032 7.541 -6.099 1.00 0.00 C ATOM 1878 C LEU B 60 8.023 6.451 -6.484 1.00 0.00 C ATOM 1879 O LEU B 60 9.096 6.349 -5.896 1.00 0.00 O ATOM 1880 CB LEU B 60 5.860 6.934 -5.322 1.00 0.00 C ATOM 1881 CG LEU B 60 4.949 7.943 -4.621 1.00 0.00 C ATOM 1882 CD1 LEU B 60 3.732 7.244 -4.041 1.00 0.00 C ATOM 1883 CD2 LEU B 60 5.709 8.676 -3.528 1.00 0.00 C ATOM 0 H LEU B 60 5.548 8.180 -7.431 1.00 0.00 H new ATOM 0 HA LEU B 60 7.540 8.263 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.257 6.342 -6.010 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.258 6.247 -4.575 1.00 0.00 H new ATOM 0 HG LEU B 60 4.612 8.673 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.094 7.976 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.174 6.760 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.053 6.494 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.046 9.390 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.073 7.958 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.554 9.207 -3.966 1.00 0.00 H new ATOM 1895 N SER B 61 7.671 5.649 -7.482 1.00 0.00 N ATOM 1896 CA SER B 61 8.541 4.573 -7.931 1.00 0.00 C ATOM 1897 C SER B 61 9.810 5.135 -8.563 1.00 0.00 C ATOM 1898 O SER B 61 10.896 4.596 -8.371 1.00 0.00 O ATOM 1899 CB SER B 61 7.803 3.674 -8.923 1.00 0.00 C ATOM 1900 OG SER B 61 7.280 4.430 -9.999 1.00 0.00 O ATOM 0 H SER B 61 6.792 5.724 -7.993 1.00 0.00 H new ATOM 0 HA SER B 61 8.826 3.976 -7.065 1.00 0.00 H new ATOM 0 HB2 SER B 61 8.483 2.913 -9.305 1.00 0.00 H new ATOM 0 HB3 SER B 61 6.993 3.151 -8.413 1.00 0.00 H new ATOM 0 HG SER B 61 6.439 4.852 -9.724 1.00 0.00 H new ATOM 1906 N GLU B 62 9.660 6.231 -9.301 1.00 0.00 N ATOM 1907 CA GLU B 62 10.788 6.899 -9.941 1.00 0.00 C ATOM 1908 C GLU B 62 11.825 7.322 -8.901 1.00 0.00 C ATOM 1909 O GLU B 62 13.027 7.112 -9.079 1.00 0.00 O ATOM 1910 CB GLU B 62 10.291 8.126 -10.712 1.00 0.00 C ATOM 1911 CG GLU B 62 11.370 8.845 -11.505 1.00 0.00 C ATOM 1912 CD GLU B 62 11.956 7.988 -12.607 1.00 0.00 C ATOM 1913 OE1 GLU B 62 11.190 7.522 -13.474 1.00 0.00 O ATOM 1914 OE2 GLU B 62 13.186 7.793 -12.623 1.00 0.00 O ATOM 0 H GLU B 62 8.759 6.678 -9.471 1.00 0.00 H new ATOM 0 HA GLU B 62 11.259 6.202 -10.634 1.00 0.00 H new ATOM 0 HB2 GLU B 62 9.500 7.816 -11.395 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.846 8.828 -10.007 1.00 0.00 H new ATOM 0 HG2 GLU B 62 10.951 9.752 -11.940 1.00 0.00 H new ATOM 0 HG3 GLU B 62 12.167 9.154 -10.829 1.00 0.00 H new ATOM 1921 N LEU B 63 11.349 7.907 -7.812 1.00 0.00 N ATOM 1922 CA LEU B 63 12.227 8.396 -6.759 1.00 0.00 C ATOM 1923 C LEU B 63 12.711 7.250 -5.872 1.00 0.00 C ATOM 1924 O LEU B 63 13.865 7.230 -5.442 1.00 0.00 O ATOM 1925 CB LEU B 63 11.502 9.458 -5.931 1.00 0.00 C ATOM 1926 CG LEU B 63 11.066 10.695 -6.722 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.226 11.619 -5.858 1.00 0.00 C ATOM 1928 CD2 LEU B 63 12.279 11.434 -7.267 1.00 0.00 C ATOM 0 H LEU B 63 10.356 8.055 -7.634 1.00 0.00 H new ATOM 0 HA LEU B 63 13.105 8.848 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.621 9.006 -5.475 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.155 9.774 -5.118 1.00 0.00 H new ATOM 0 HG LEU B 63 10.455 10.364 -7.562 1.00 0.00 H new ATOM 0 HD11 LEU B 63 9.928 12.491 -6.441 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.337 11.089 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU B 63 10.810 11.941 -4.996 1.00 0.00 H new ATOM 0 HD21 LEU B 63 11.950 12.310 -7.826 1.00 0.00 H new ATOM 0 HD22 LEU B 63 12.915 11.749 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU B 63 12.842 10.773 -7.926 1.00 0.00 H new ATOM 1940 N ALA B 64 11.835 6.287 -5.617 1.00 0.00 N ATOM 1941 CA ALA B 64 12.205 5.109 -4.841 1.00 0.00 C ATOM 1942 C ALA B 64 13.306 4.331 -5.550 1.00 0.00 C ATOM 1943 O ALA B 64 14.281 3.906 -4.929 1.00 0.00 O ATOM 1944 CB ALA B 64 10.994 4.216 -4.605 1.00 0.00 C ATOM 0 H ALA B 64 10.866 6.297 -5.935 1.00 0.00 H new ATOM 0 HA ALA B 64 12.580 5.441 -3.873 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.293 3.343 -4.024 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.233 4.772 -4.058 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.588 3.892 -5.564 1.00 0.00 H new ATOM 1950 N ASP B 65 13.152 4.172 -6.860 1.00 0.00 N ATOM 1951 CA ASP B 65 14.133 3.460 -7.672 1.00 0.00 C ATOM 1952 C ASP B 65 15.423 4.267 -7.776 1.00 0.00 C ATOM 1953 O ASP B 65 16.506 3.704 -7.925 1.00 0.00 O ATOM 1954 CB ASP B 65 13.575 3.182 -9.069 1.00 0.00 C ATOM 1955 CG ASP B 65 14.453 2.244 -9.871 1.00 0.00 C ATOM 1956 OD1 ASP B 65 15.387 2.720 -10.545 1.00 0.00 O ATOM 1957 OD2 ASP B 65 14.201 1.020 -9.844 1.00 0.00 O ATOM 0 H ASP B 65 12.353 4.528 -7.385 1.00 0.00 H new ATOM 0 HA ASP B 65 14.351 2.508 -7.188 1.00 0.00 H new ATOM 0 HB2 ASP B 65 12.578 2.752 -8.979 1.00 0.00 H new ATOM 0 HB3 ASP B 65 13.469 4.124 -9.608 1.00 0.00 H new ATOM 1962 N ALA B 66 15.299 5.590 -7.686 1.00 0.00 N ATOM 1963 CA ALA B 66 16.462 6.472 -7.671 1.00 0.00 C ATOM 1964 C ALA B 66 17.303 6.213 -6.428 1.00 0.00 C ATOM 1965 O ALA B 66 18.533 6.193 -6.488 1.00 0.00 O ATOM 1966 CB ALA B 66 16.035 7.930 -7.727 1.00 0.00 C ATOM 0 H ALA B 66 14.403 6.074 -7.622 1.00 0.00 H new ATOM 0 HA ALA B 66 17.065 6.260 -8.554 1.00 0.00 H new ATOM 0 HB1 ALA B 66 16.918 8.569 -7.715 1.00 0.00 H new ATOM 0 HB2 ALA B 66 15.471 8.109 -8.642 1.00 0.00 H new ATOM 0 HB3 ALA B 66 15.410 8.159 -6.864 1.00 0.00 H new ATOM 1972 N LYS B 67 16.627 6.021 -5.298 1.00 0.00 N ATOM 1973 CA LYS B 67 17.285 5.603 -4.068 1.00 0.00 C ATOM 1974 C LYS B 67 17.822 4.182 -4.219 1.00 0.00 C ATOM 1975 O LYS B 67 18.816 3.807 -3.593 1.00 0.00 O ATOM 1976 CB LYS B 67 16.304 5.660 -2.893 1.00 0.00 C ATOM 1977 CG LYS B 67 15.867 7.065 -2.509 1.00 0.00 C ATOM 1978 CD LYS B 67 16.998 7.841 -1.856 1.00 0.00 C ATOM 1979 CE LYS B 67 16.513 9.165 -1.286 1.00 0.00 C ATOM 1980 NZ LYS B 67 16.148 10.141 -2.345 1.00 0.00 N ATOM 0 H LYS B 67 15.619 6.150 -5.211 1.00 0.00 H new ATOM 0 HA LYS B 67 18.114 6.282 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS B 67 15.420 5.073 -3.144 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.765 5.186 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS B 67 15.525 7.596 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS B 67 15.020 7.010 -1.825 1.00 0.00 H new ATOM 0 HD2 LYS B 67 17.439 7.241 -1.060 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.784 8.026 -2.589 1.00 0.00 H new ATOM 0 HE2 LYS B 67 15.648 8.987 -0.647 1.00 0.00 H new ATOM 0 HE3 LYS B 67 17.292 9.593 -0.655 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 15.824 11.026 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 16.979 10.334 -2.940 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 15.385 9.747 -2.932 1.00 0.00 H new ATOM 1994 N GLY B 68 17.149 3.400 -5.054 1.00 0.00 N ATOM 1995 CA GLY B 68 17.555 2.031 -5.296 1.00 0.00 C ATOM 1996 C GLY B 68 16.610 1.037 -4.656 1.00 0.00 C ATOM 1997 O GLY B 68 16.802 -0.173 -4.763 1.00 0.00 O ATOM 0 H GLY B 68 16.321 3.695 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY B 68 17.598 1.850 -6.370 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.561 1.877 -4.906 1.00 0.00 H new ATOM 2001 N GLY B 69 15.574 1.552 -4.008 1.00 0.00 N ATOM 2002 CA GLY B 69 14.661 0.705 -3.269 1.00 0.00 C ATOM 2003 C GLY B 69 13.630 0.041 -4.157 1.00 0.00 C ATOM 2004 O GLY B 69 13.366 0.499 -5.268 1.00 0.00 O ATOM 0 H GLY B 69 15.349 2.547 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY B 69 15.229 -0.062 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY B 69 14.152 1.301 -2.511 1.00 0.00 H new ATOM 2008 N LYS B 70 13.048 -1.041 -3.660 1.00 0.00 N ATOM 2009 CA LYS B 70 12.043 -1.791 -4.404 1.00 0.00 C ATOM 2010 C LYS B 70 10.662 -1.557 -3.806 1.00 0.00 C ATOM 2011 O LYS B 70 9.640 -1.841 -4.430 1.00 0.00 O ATOM 2012 CB LYS B 70 12.364 -3.287 -4.371 1.00 0.00 C ATOM 2013 CG LYS B 70 13.707 -3.648 -4.980 1.00 0.00 C ATOM 2014 CD LYS B 70 14.005 -5.127 -4.807 1.00 0.00 C ATOM 2015 CE LYS B 70 15.339 -5.506 -5.425 1.00 0.00 C ATOM 2016 NZ LYS B 70 15.690 -6.929 -5.167 1.00 0.00 N ATOM 0 H LYS B 70 13.256 -1.422 -2.737 1.00 0.00 H new ATOM 0 HA LYS B 70 12.052 -1.445 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS B 70 12.343 -3.629 -3.336 1.00 0.00 H new ATOM 0 HB3 LYS B 70 11.580 -3.827 -4.901 1.00 0.00 H new ATOM 0 HG2 LYS B 70 13.709 -3.395 -6.040 1.00 0.00 H new ATOM 0 HG3 LYS B 70 14.494 -3.058 -4.510 1.00 0.00 H new ATOM 0 HD2 LYS B 70 14.012 -5.375 -3.746 1.00 0.00 H new ATOM 0 HD3 LYS B 70 13.211 -5.715 -5.267 1.00 0.00 H new ATOM 0 HE2 LYS B 70 15.303 -5.331 -6.500 1.00 0.00 H new ATOM 0 HE3 LYS B 70 16.121 -4.861 -5.023 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 16.322 -7.272 -5.918 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 16.170 -7.007 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 14.823 -7.504 -5.155 1.00 0.00 H new ATOM 2030 N TYR B 71 10.641 -1.042 -2.591 1.00 0.00 N ATOM 2031 CA TYR B 71 9.400 -0.822 -1.873 1.00 0.00 C ATOM 2032 C TYR B 71 9.353 0.598 -1.343 1.00 0.00 C ATOM 2033 O TYR B 71 10.375 1.281 -1.283 1.00 0.00 O ATOM 2034 CB TYR B 71 9.270 -1.807 -0.706 1.00 0.00 C ATOM 2035 CG TYR B 71 9.369 -3.258 -1.114 1.00 0.00 C ATOM 2036 CD1 TYR B 71 8.248 -3.956 -1.540 1.00 0.00 C ATOM 2037 CD2 TYR B 71 10.586 -3.929 -1.078 1.00 0.00 C ATOM 2038 CE1 TYR B 71 8.336 -5.281 -1.918 1.00 0.00 C ATOM 2039 CE2 TYR B 71 10.683 -5.254 -1.457 1.00 0.00 C ATOM 2040 CZ TYR B 71 9.555 -5.925 -1.876 1.00 0.00 C ATOM 2041 OH TYR B 71 9.644 -7.244 -2.261 1.00 0.00 O ATOM 0 H TYR B 71 11.478 -0.766 -2.077 1.00 0.00 H new ATOM 0 HA TYR B 71 8.571 -0.981 -2.563 1.00 0.00 H new ATOM 0 HB2 TYR B 71 10.048 -1.592 0.026 1.00 0.00 H new ATOM 0 HB3 TYR B 71 8.313 -1.644 -0.211 1.00 0.00 H new ATOM 0 HD1 TYR B 71 7.292 -3.455 -1.576 1.00 0.00 H new ATOM 0 HD2 TYR B 71 11.471 -3.405 -0.748 1.00 0.00 H new ATOM 0 HE1 TYR B 71 7.454 -5.811 -2.245 1.00 0.00 H new ATOM 0 HE2 TYR B 71 11.636 -5.760 -1.425 1.00 0.00 H new ATOM 0 HH TYR B 71 10.571 -7.548 -2.174 1.00 0.00 H new ATOM 2051 N TYR B 72 8.171 1.041 -0.966 1.00 0.00 N ATOM 2052 CA TYR B 72 8.016 2.338 -0.336 1.00 0.00 C ATOM 2053 C TYR B 72 6.771 2.342 0.535 1.00 0.00 C ATOM 2054 O TYR B 72 5.972 1.406 0.495 1.00 0.00 O ATOM 2055 CB TYR B 72 7.959 3.465 -1.383 1.00 0.00 C ATOM 2056 CG TYR B 72 6.783 3.393 -2.341 1.00 0.00 C ATOM 2057 CD1 TYR B 72 6.853 2.640 -3.507 1.00 0.00 C ATOM 2058 CD2 TYR B 72 5.607 4.089 -2.081 1.00 0.00 C ATOM 2059 CE1 TYR B 72 5.785 2.581 -4.384 1.00 0.00 C ATOM 2060 CE2 TYR B 72 4.536 4.033 -2.953 1.00 0.00 C ATOM 2061 CZ TYR B 72 4.629 3.278 -4.102 1.00 0.00 C ATOM 2062 OH TYR B 72 3.559 3.219 -4.969 1.00 0.00 O ATOM 0 H TYR B 72 7.301 0.521 -1.085 1.00 0.00 H new ATOM 0 HA TYR B 72 8.887 2.523 0.293 1.00 0.00 H new ATOM 0 HB2 TYR B 72 7.926 4.422 -0.863 1.00 0.00 H new ATOM 0 HB3 TYR B 72 8.882 3.449 -1.963 1.00 0.00 H new ATOM 0 HD1 TYR B 72 7.756 2.092 -3.732 1.00 0.00 H new ATOM 0 HD2 TYR B 72 5.529 4.683 -1.183 1.00 0.00 H new ATOM 0 HE1 TYR B 72 5.856 1.991 -5.286 1.00 0.00 H new ATOM 0 HE2 TYR B 72 3.630 4.579 -2.735 1.00 0.00 H new ATOM 0 HH TYR B 72 2.825 3.766 -4.620 1.00 0.00 H new ATOM 2072 N HIS B 73 6.631 3.368 1.353 1.00 0.00 N ATOM 2073 CA HIS B 73 5.433 3.537 2.153 1.00 0.00 C ATOM 2074 C HIS B 73 5.193 5.012 2.424 1.00 0.00 C ATOM 2075 O HIS B 73 6.041 5.686 3.006 1.00 0.00 O ATOM 2076 CB HIS B 73 5.547 2.767 3.471 1.00 0.00 C ATOM 2077 CG HIS B 73 4.298 2.811 4.294 1.00 0.00 C ATOM 2078 ND1 HIS B 73 4.283 3.172 5.620 1.00 0.00 N ATOM 2079 CD2 HIS B 73 3.015 2.528 3.969 1.00 0.00 C ATOM 2080 CE1 HIS B 73 3.047 3.109 6.079 1.00 0.00 C ATOM 2081 NE2 HIS B 73 2.255 2.721 5.094 1.00 0.00 N ATOM 0 H HIS B 73 7.333 4.097 1.481 1.00 0.00 H new ATOM 0 HA HIS B 73 4.586 3.136 1.596 1.00 0.00 H new ATOM 0 HB2 HIS B 73 5.795 1.728 3.256 1.00 0.00 H new ATOM 0 HB3 HIS B 73 6.372 3.178 4.053 1.00 0.00 H new ATOM 0 HD2 HIS B 73 2.656 2.209 3.002 1.00 0.00 H new ATOM 0 HE1 HIS B 73 2.736 3.336 7.088 1.00 0.00 H new ATOM 0 HE2 HIS B 73 1.246 2.587 5.160 1.00 0.00 H new ATOM 2090 N ILE B 74 4.047 5.513 1.986 1.00 0.00 N ATOM 2091 CA ILE B 74 3.690 6.902 2.216 1.00 0.00 C ATOM 2092 C ILE B 74 3.377 7.126 3.691 1.00 0.00 C ATOM 2093 O ILE B 74 2.404 6.583 4.219 1.00 0.00 O ATOM 2094 CB ILE B 74 2.474 7.321 1.364 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.730 7.014 -0.115 1.00 0.00 C ATOM 2096 CG2 ILE B 74 2.178 8.802 1.557 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.548 7.316 -1.013 1.00 0.00 C ATOM 0 H ILE B 74 3.350 4.977 1.470 1.00 0.00 H new ATOM 0 HA ILE B 74 4.542 7.515 1.923 1.00 0.00 H new ATOM 0 HB ILE B 74 1.605 6.749 1.691 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.589 7.593 -0.454 1.00 0.00 H new ATOM 0 HG13 ILE B 74 2.994 5.961 -0.218 1.00 0.00 H new ATOM 0 HG21 ILE B 74 1.318 9.083 0.950 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.960 8.996 2.607 1.00 0.00 H new ATOM 0 HG23 ILE B 74 3.044 9.389 1.252 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.804 7.074 -2.045 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.692 6.718 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE B 74 1.297 8.374 -0.940 1.00 0.00 H new ATOM 2109 N ILE B 75 4.211 7.912 4.355 1.00 0.00 N ATOM 2110 CA ILE B 75 4.032 8.185 5.772 1.00 0.00 C ATOM 2111 C ILE B 75 3.199 9.439 5.980 1.00 0.00 C ATOM 2112 O ILE B 75 2.484 9.560 6.974 1.00 0.00 O ATOM 2113 CB ILE B 75 5.378 8.333 6.513 1.00 0.00 C ATOM 2114 CG1 ILE B 75 6.236 9.434 5.881 1.00 0.00 C ATOM 2115 CG2 ILE B 75 6.120 7.008 6.515 1.00 0.00 C ATOM 2116 CD1 ILE B 75 7.533 9.695 6.618 1.00 0.00 C ATOM 0 H ILE B 75 5.019 8.372 3.935 1.00 0.00 H new ATOM 0 HA ILE B 75 3.508 7.326 6.191 1.00 0.00 H new ATOM 0 HB ILE B 75 5.174 8.622 7.544 1.00 0.00 H new ATOM 0 HG12 ILE B 75 6.463 9.159 4.851 1.00 0.00 H new ATOM 0 HG13 ILE B 75 5.657 10.357 5.844 1.00 0.00 H new ATOM 0 HG21 ILE B 75 7.068 7.123 7.040 1.00 0.00 H new ATOM 0 HG22 ILE B 75 5.516 6.253 7.018 1.00 0.00 H new ATOM 0 HG23 ILE B 75 6.309 6.696 5.488 1.00 0.00 H new ATOM 0 HD11 ILE B 75 8.086 10.486 6.112 1.00 0.00 H new ATOM 0 HD12 ILE B 75 7.315 10.002 7.641 1.00 0.00 H new ATOM 0 HD13 ILE B 75 8.133 8.785 6.632 1.00 0.00 H new ATOM 2128 N ALA B 76 3.272 10.358 5.027 1.00 0.00 N ATOM 2129 CA ALA B 76 2.532 11.605 5.117 1.00 0.00 C ATOM 2130 C ALA B 76 2.131 12.102 3.736 1.00 0.00 C ATOM 2131 O ALA B 76 2.959 12.620 2.987 1.00 0.00 O ATOM 2132 CB ALA B 76 3.355 12.661 5.842 1.00 0.00 C ATOM 0 H ALA B 76 3.837 10.262 4.183 1.00 0.00 H new ATOM 0 HA ALA B 76 1.622 11.418 5.688 1.00 0.00 H new ATOM 0 HB1 ALA B 76 2.786 13.589 5.901 1.00 0.00 H new ATOM 0 HB2 ALA B 76 3.587 12.313 6.849 1.00 0.00 H new ATOM 0 HB3 ALA B 76 4.282 12.838 5.296 1.00 0.00 H new ATOM 2138 N ALA B 77 0.868 11.920 3.397 1.00 0.00 N ATOM 2139 CA ALA B 77 0.328 12.440 2.151 1.00 0.00 C ATOM 2140 C ALA B 77 -0.553 13.637 2.455 1.00 0.00 C ATOM 2141 O ALA B 77 -1.737 13.490 2.755 1.00 0.00 O ATOM 2142 CB ALA B 77 -0.456 11.368 1.406 1.00 0.00 C ATOM 0 H ALA B 77 0.193 11.413 3.969 1.00 0.00 H new ATOM 0 HA ALA B 77 1.150 12.749 1.506 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -0.849 11.783 0.478 1.00 0.00 H new ATOM 0 HB2 ALA B 77 0.201 10.529 1.178 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -1.282 11.023 2.028 1.00 0.00 H new ATOM 2148 N ARG B 78 0.032 14.821 2.404 1.00 0.00 N ATOM 2149 CA ARG B 78 -0.662 16.012 2.852 1.00 0.00 C ATOM 2150 C ARG B 78 -0.895 16.988 1.713 1.00 0.00 C ATOM 2151 O ARG B 78 -0.213 16.957 0.685 1.00 0.00 O ATOM 2152 CB ARG B 78 0.109 16.685 3.988 1.00 0.00 C ATOM 2153 CG ARG B 78 1.497 17.165 3.603 1.00 0.00 C ATOM 2154 CD ARG B 78 2.251 17.678 4.817 1.00 0.00 C ATOM 2155 NE ARG B 78 1.546 18.771 5.485 1.00 0.00 N ATOM 2156 CZ ARG B 78 1.155 18.742 6.758 1.00 0.00 C ATOM 2157 NH1 ARG B 78 1.383 17.668 7.506 1.00 0.00 N ATOM 2158 NH2 ARG B 78 0.541 19.791 7.287 1.00 0.00 N ATOM 0 H ARG B 78 0.979 14.981 2.059 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.639 15.704 3.225 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -0.469 17.535 4.350 1.00 0.00 H new ATOM 0 HB3 ARG B 78 0.197 15.983 4.817 1.00 0.00 H new ATOM 0 HG2 ARG B 78 2.054 16.348 3.143 1.00 0.00 H new ATOM 0 HG3 ARG B 78 1.418 17.957 2.858 1.00 0.00 H new ATOM 0 HD2 ARG B 78 2.400 16.860 5.522 1.00 0.00 H new ATOM 0 HD3 ARG B 78 3.240 18.019 4.511 1.00 0.00 H new ATOM 0 HE ARG B 78 1.340 19.609 4.941 1.00 0.00 H new ATOM 0 HH11 ARG B 78 1.860 16.860 7.106 1.00 0.00 H new ATOM 0 HH12 ARG B 78 1.081 17.652 8.480 1.00 0.00 H new ATOM 0 HH21 ARG B 78 0.368 20.620 6.719 1.00 0.00 H new ATOM 0 HH22 ARG B 78 0.242 19.769 8.262 1.00 0.00 H new ATOM 2172 N GLU B 79 -1.865 17.855 1.915 1.00 0.00 N ATOM 2173 CA GLU B 79 -2.271 18.813 0.907 1.00 0.00 C ATOM 2174 C GLU B 79 -1.908 20.219 1.369 1.00 0.00 C ATOM 2175 O GLU B 79 -2.621 20.834 2.166 1.00 0.00 O ATOM 2176 CB GLU B 79 -3.775 18.674 0.671 1.00 0.00 C ATOM 2177 CG GLU B 79 -4.292 19.341 -0.589 1.00 0.00 C ATOM 2178 CD GLU B 79 -5.737 18.973 -0.853 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -6.634 19.597 -0.248 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -5.983 18.027 -1.635 1.00 0.00 O ATOM 0 H GLU B 79 -2.395 17.916 2.784 1.00 0.00 H new ATOM 0 HA GLU B 79 -1.753 18.623 -0.033 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -4.024 17.614 0.631 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -4.302 19.093 1.528 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -4.202 20.423 -0.494 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -3.678 19.044 -1.439 1.00 0.00 H new ATOM 2187 N HIS B 80 -0.779 20.710 0.885 1.00 0.00 N ATOM 2188 CA HIS B 80 -0.243 21.995 1.314 1.00 0.00 C ATOM 2189 C HIS B 80 -0.823 23.112 0.451 1.00 0.00 C ATOM 2190 O HIS B 80 -0.098 23.807 -0.267 1.00 0.00 O ATOM 2191 CB HIS B 80 1.287 21.978 1.207 1.00 0.00 C ATOM 2192 CG HIS B 80 1.980 22.991 2.067 1.00 0.00 C ATOM 2193 ND1 HIS B 80 3.258 22.809 2.547 1.00 0.00 N ATOM 2194 CD2 HIS B 80 1.572 24.192 2.543 1.00 0.00 C ATOM 2195 CE1 HIS B 80 3.604 23.847 3.282 1.00 0.00 C ATOM 2196 NE2 HIS B 80 2.599 24.702 3.296 1.00 0.00 N ATOM 0 H HIS B 80 -0.209 20.233 0.187 1.00 0.00 H new ATOM 0 HA HIS B 80 -0.522 22.175 2.352 1.00 0.00 H new ATOM 0 HB2 HIS B 80 1.647 20.985 1.476 1.00 0.00 H new ATOM 0 HB3 HIS B 80 1.568 22.149 0.168 1.00 0.00 H new ATOM 0 HD1 HIS B 80 3.846 21.996 2.362 1.00 0.00 H new ATOM 0 HD2 HIS B 80 0.616 24.661 2.363 1.00 0.00 H new ATOM 0 HE1 HIS B 80 4.550 23.976 3.787 1.00 0.00 H new ATOM 2205 N GLY B 81 -2.138 23.262 0.506 1.00 0.00 N ATOM 2206 CA GLY B 81 -2.803 24.252 -0.309 1.00 0.00 C ATOM 2207 C GLY B 81 -2.854 23.813 -1.754 1.00 0.00 C ATOM 2208 O GLY B 81 -3.433 22.772 -2.062 1.00 0.00 O ATOM 0 H GLY B 81 -2.756 22.713 1.103 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -3.815 24.415 0.062 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -2.279 25.204 -0.232 1.00 0.00 H new ATOM 2212 N PRO B 82 -2.248 24.581 -2.665 1.00 0.00 N ATOM 2213 CA PRO B 82 -2.132 24.186 -4.066 1.00 0.00 C ATOM 2214 C PRO B 82 -1.046 23.130 -4.272 1.00 0.00 C ATOM 2215 O PRO B 82 -1.104 22.339 -5.211 1.00 0.00 O ATOM 2216 CB PRO B 82 -1.754 25.490 -4.767 1.00 0.00 C ATOM 2217 CG PRO B 82 -1.041 26.288 -3.729 1.00 0.00 C ATOM 2218 CD PRO B 82 -1.655 25.908 -2.408 1.00 0.00 C ATOM 0 HA PRO B 82 -3.048 23.734 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO B 82 -1.116 25.304 -5.631 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -2.638 26.014 -5.131 1.00 0.00 H new ATOM 0 HG2 PRO B 82 0.027 26.071 -3.738 1.00 0.00 H new ATOM 0 HG3 PRO B 82 -1.151 27.356 -3.916 1.00 0.00 H new ATOM 0 HD2 PRO B 82 -0.907 25.865 -1.616 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -2.410 26.630 -2.095 1.00 0.00 H new ATOM 2226 N ASN B 83 -0.072 23.110 -3.371 1.00 0.00 N ATOM 2227 CA ASN B 83 1.068 22.210 -3.494 1.00 0.00 C ATOM 2228 C ASN B 83 0.765 20.893 -2.794 1.00 0.00 C ATOM 2229 O ASN B 83 0.336 20.880 -1.643 1.00 0.00 O ATOM 2230 CB ASN B 83 2.318 22.854 -2.880 1.00 0.00 C ATOM 2231 CG ASN B 83 3.613 22.161 -3.275 1.00 0.00 C ATOM 2232 OD1 ASN B 83 3.645 20.964 -3.549 1.00 0.00 O ATOM 2233 ND2 ASN B 83 4.699 22.918 -3.299 1.00 0.00 N ATOM 0 H ASN B 83 -0.049 23.708 -2.545 1.00 0.00 H new ATOM 0 HA ASN B 83 1.254 22.018 -4.551 1.00 0.00 H new ATOM 0 HB2 ASN B 83 2.366 23.899 -3.186 1.00 0.00 H new ATOM 0 HB3 ASN B 83 2.226 22.844 -1.794 1.00 0.00 H new ATOM 0 HD21 ASN B 83 5.599 22.510 -3.551 1.00 0.00 H new ATOM 0 HD22 ASN B 83 4.635 23.909 -3.066 1.00 0.00 H new ATOM 2240 N PHE B 84 0.970 19.794 -3.491 1.00 0.00 N ATOM 2241 CA PHE B 84 0.738 18.481 -2.917 1.00 0.00 C ATOM 2242 C PHE B 84 2.065 17.848 -2.516 1.00 0.00 C ATOM 2243 O PHE B 84 2.964 17.714 -3.343 1.00 0.00 O ATOM 2244 CB PHE B 84 -0.003 17.588 -3.917 1.00 0.00 C ATOM 2245 CG PHE B 84 -0.372 16.239 -3.362 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -1.425 16.107 -2.470 1.00 0.00 C ATOM 2247 CD2 PHE B 84 0.333 15.104 -3.733 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.766 14.871 -1.956 1.00 0.00 C ATOM 2249 CE2 PHE B 84 -0.004 13.865 -3.222 1.00 0.00 C ATOM 2250 CZ PHE B 84 -1.055 13.748 -2.333 1.00 0.00 C ATOM 0 H PHE B 84 1.297 19.782 -4.457 1.00 0.00 H new ATOM 0 HA PHE B 84 0.118 18.587 -2.027 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -0.910 18.097 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE B 84 0.621 17.450 -4.800 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -1.986 16.981 -2.173 1.00 0.00 H new ATOM 0 HD2 PHE B 84 1.154 15.189 -4.429 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.587 14.783 -1.260 1.00 0.00 H new ATOM 0 HE2 PHE B 84 0.554 12.989 -3.517 1.00 0.00 H new ATOM 0 HZ PHE B 84 -1.320 12.780 -1.933 1.00 0.00 H new ATOM 2260 N GLU B 85 2.183 17.470 -1.248 1.00 0.00 N ATOM 2261 CA GLU B 85 3.415 16.882 -0.740 1.00 0.00 C ATOM 2262 C GLU B 85 3.184 15.455 -0.261 1.00 0.00 C ATOM 2263 O GLU B 85 2.476 15.218 0.723 1.00 0.00 O ATOM 2264 CB GLU B 85 3.996 17.725 0.399 1.00 0.00 C ATOM 2265 CG GLU B 85 4.493 19.090 -0.045 1.00 0.00 C ATOM 2266 CD GLU B 85 5.200 19.844 1.063 1.00 0.00 C ATOM 2267 OE1 GLU B 85 6.312 19.430 1.457 1.00 0.00 O ATOM 2268 OE2 GLU B 85 4.662 20.870 1.528 1.00 0.00 O ATOM 0 H GLU B 85 1.441 17.561 -0.554 1.00 0.00 H new ATOM 0 HA GLU B 85 4.131 16.862 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU B 85 3.234 17.858 1.167 1.00 0.00 H new ATOM 0 HB3 GLU B 85 4.820 17.180 0.859 1.00 0.00 H new ATOM 0 HG2 GLU B 85 5.174 18.968 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU B 85 3.649 19.681 -0.400 1.00 0.00 H new ATOM 2275 N ALA B 86 3.775 14.508 -0.971 1.00 0.00 N ATOM 2276 CA ALA B 86 3.689 13.105 -0.601 1.00 0.00 C ATOM 2277 C ALA B 86 5.027 12.615 -0.061 1.00 0.00 C ATOM 2278 O ALA B 86 5.986 12.440 -0.814 1.00 0.00 O ATOM 2279 CB ALA B 86 3.257 12.266 -1.794 1.00 0.00 C ATOM 0 H ALA B 86 4.323 14.687 -1.812 1.00 0.00 H new ATOM 0 HA ALA B 86 2.940 12.999 0.184 1.00 0.00 H new ATOM 0 HB1 ALA B 86 3.198 11.218 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.279 12.602 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA B 86 3.984 12.376 -2.599 1.00 0.00 H new ATOM 2285 N VAL B 87 5.090 12.417 1.246 1.00 0.00 N ATOM 2286 CA VAL B 87 6.307 11.950 1.893 1.00 0.00 C ATOM 2287 C VAL B 87 6.245 10.441 2.108 1.00 0.00 C ATOM 2288 O VAL B 87 5.317 9.932 2.744 1.00 0.00 O ATOM 2289 CB VAL B 87 6.525 12.651 3.252 1.00 0.00 C ATOM 2290 CG1 VAL B 87 7.882 12.288 3.836 1.00 0.00 C ATOM 2291 CG2 VAL B 87 6.386 14.161 3.111 1.00 0.00 C ATOM 0 H VAL B 87 4.309 12.573 1.883 1.00 0.00 H new ATOM 0 HA VAL B 87 7.143 12.194 1.238 1.00 0.00 H new ATOM 0 HB VAL B 87 5.755 12.302 3.939 1.00 0.00 H new ATOM 0 HG11 VAL B 87 8.013 12.793 4.793 1.00 0.00 H new ATOM 0 HG12 VAL B 87 7.938 11.210 3.984 1.00 0.00 H new ATOM 0 HG13 VAL B 87 8.669 12.601 3.150 1.00 0.00 H new ATOM 0 HG21 VAL B 87 6.544 14.633 4.081 1.00 0.00 H new ATOM 0 HG22 VAL B 87 7.128 14.530 2.403 1.00 0.00 H new ATOM 0 HG23 VAL B 87 5.387 14.402 2.748 1.00 0.00 H new ATOM 2301 N ALA B 88 7.227 9.730 1.576 1.00 0.00 N ATOM 2302 CA ALA B 88 7.265 8.280 1.678 1.00 0.00 C ATOM 2303 C ALA B 88 8.669 7.793 2.008 1.00 0.00 C ATOM 2304 O ALA B 88 9.654 8.452 1.683 1.00 0.00 O ATOM 2305 CB ALA B 88 6.782 7.653 0.379 1.00 0.00 C ATOM 0 H ALA B 88 8.012 10.136 1.067 1.00 0.00 H new ATOM 0 HA ALA B 88 6.602 7.976 2.488 1.00 0.00 H new ATOM 0 HB1 ALA B 88 6.814 6.567 0.465 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.759 7.971 0.180 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.427 7.971 -0.440 1.00 0.00 H new ATOM 2311 N GLU B 89 8.758 6.633 2.641 1.00 0.00 N ATOM 2312 CA GLU B 89 10.047 6.039 2.963 1.00 0.00 C ATOM 2313 C GLU B 89 10.357 4.930 1.968 1.00 0.00 C ATOM 2314 O GLU B 89 9.495 4.108 1.661 1.00 0.00 O ATOM 2315 CB GLU B 89 10.047 5.475 4.387 1.00 0.00 C ATOM 2316 CG GLU B 89 9.835 6.524 5.467 1.00 0.00 C ATOM 2317 CD GLU B 89 9.841 5.927 6.861 1.00 0.00 C ATOM 2318 OE1 GLU B 89 8.798 5.397 7.289 1.00 0.00 O ATOM 2319 OE2 GLU B 89 10.892 5.980 7.539 1.00 0.00 O ATOM 0 H GLU B 89 7.953 6.084 2.942 1.00 0.00 H new ATOM 0 HA GLU B 89 10.813 6.812 2.902 1.00 0.00 H new ATOM 0 HB2 GLU B 89 9.264 4.721 4.468 1.00 0.00 H new ATOM 0 HB3 GLU B 89 10.996 4.970 4.567 1.00 0.00 H new ATOM 0 HG2 GLU B 89 10.617 7.279 5.395 1.00 0.00 H new ATOM 0 HG3 GLU B 89 8.885 7.031 5.296 1.00 0.00 H new ATOM 2326 N VAL B 90 11.581 4.921 1.461 1.00 0.00 N ATOM 2327 CA VAL B 90 11.982 3.955 0.447 1.00 0.00 C ATOM 2328 C VAL B 90 12.635 2.737 1.084 1.00 0.00 C ATOM 2329 O VAL B 90 13.643 2.853 1.785 1.00 0.00 O ATOM 2330 CB VAL B 90 12.962 4.578 -0.567 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.363 3.564 -1.627 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.350 5.810 -1.207 1.00 0.00 C ATOM 0 H VAL B 90 12.316 5.573 1.736 1.00 0.00 H new ATOM 0 HA VAL B 90 11.077 3.649 -0.077 1.00 0.00 H new ATOM 0 HB VAL B 90 13.862 4.879 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL B 90 14.055 4.027 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL B 90 13.847 2.712 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.475 3.225 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL B 90 13.055 6.238 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.432 5.533 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL B 90 12.123 6.546 -0.436 1.00 0.00 H new ATOM 2342 N TYR B 91 12.067 1.574 0.820 1.00 0.00 N ATOM 2343 CA TYR B 91 12.569 0.331 1.377 1.00 0.00 C ATOM 2344 C TYR B 91 13.191 -0.525 0.286 1.00 0.00 C ATOM 2345 O TYR B 91 12.663 -0.626 -0.821 1.00 0.00 O ATOM 2346 CB TYR B 91 11.445 -0.440 2.068 1.00 0.00 C ATOM 2347 CG TYR B 91 10.819 0.313 3.214 1.00 0.00 C ATOM 2348 CD1 TYR B 91 11.421 0.331 4.465 1.00 0.00 C ATOM 2349 CD2 TYR B 91 9.631 1.011 3.045 1.00 0.00 C ATOM 2350 CE1 TYR B 91 10.855 1.023 5.516 1.00 0.00 C ATOM 2351 CE2 TYR B 91 9.060 1.707 4.091 1.00 0.00 C ATOM 2352 CZ TYR B 91 9.676 1.709 5.323 1.00 0.00 C ATOM 2353 OH TYR B 91 9.110 2.399 6.368 1.00 0.00 O ATOM 0 H TYR B 91 11.251 1.465 0.218 1.00 0.00 H new ATOM 0 HA TYR B 91 13.334 0.572 2.116 1.00 0.00 H new ATOM 0 HB2 TYR B 91 10.674 -0.678 1.335 1.00 0.00 H new ATOM 0 HB3 TYR B 91 11.838 -1.387 2.437 1.00 0.00 H new ATOM 0 HD1 TYR B 91 12.346 -0.205 4.618 1.00 0.00 H new ATOM 0 HD2 TYR B 91 9.146 1.009 2.080 1.00 0.00 H new ATOM 0 HE1 TYR B 91 11.333 1.027 6.484 1.00 0.00 H new ATOM 0 HE2 TYR B 91 8.136 2.247 3.945 1.00 0.00 H new ATOM 0 HH TYR B 91 9.218 3.362 6.221 1.00 0.00 H new ATOM 2363 N ASN B 92 14.317 -1.130 0.597 1.00 0.00 N ATOM 2364 CA ASN B 92 15.007 -1.984 -0.347 1.00 0.00 C ATOM 2365 C ASN B 92 15.009 -3.420 0.154 1.00 0.00 C ATOM 2366 O ASN B 92 14.930 -3.673 1.359 1.00 0.00 O ATOM 2367 CB ASN B 92 16.449 -1.505 -0.542 1.00 0.00 C ATOM 2368 CG ASN B 92 17.039 -1.908 -1.884 1.00 0.00 C ATOM 2369 OD1 ASN B 92 16.660 -2.918 -2.478 1.00 0.00 O ATOM 2370 ND2 ASN B 92 17.984 -1.118 -2.367 1.00 0.00 N ATOM 0 H ASN B 92 14.777 -1.045 1.503 1.00 0.00 H new ATOM 0 HA ASN B 92 14.485 -1.937 -1.303 1.00 0.00 H new ATOM 0 HB2 ASN B 92 16.480 -0.419 -0.451 1.00 0.00 H new ATOM 0 HB3 ASN B 92 17.070 -1.910 0.257 1.00 0.00 H new ATOM 0 HD21 ASN B 92 18.425 -1.337 -3.260 1.00 0.00 H new ATOM 0 HD22 ASN B 92 18.272 -0.290 -1.846 1.00 0.00 H new ATOM 2377 N ASP B 93 15.078 -4.346 -0.783 1.00 0.00 N ATOM 2378 CA ASP B 93 15.247 -5.756 -0.479 1.00 0.00 C ATOM 2379 C ASP B 93 16.661 -5.990 0.046 1.00 0.00 C ATOM 2380 O ASP B 93 17.604 -5.326 -0.394 1.00 0.00 O ATOM 2381 CB ASP B 93 14.965 -6.571 -1.747 1.00 0.00 C ATOM 2382 CG ASP B 93 15.613 -7.937 -1.759 1.00 0.00 C ATOM 2383 OD1 ASP B 93 15.178 -8.820 -0.993 1.00 0.00 O ATOM 2384 OD2 ASP B 93 16.534 -8.136 -2.576 1.00 0.00 O ATOM 0 H ASP B 93 15.018 -4.142 -1.781 1.00 0.00 H new ATOM 0 HA ASP B 93 14.548 -6.075 0.294 1.00 0.00 H new ATOM 0 HB2 ASP B 93 13.887 -6.691 -1.857 1.00 0.00 H new ATOM 0 HB3 ASP B 93 15.313 -6.008 -2.613 1.00 0.00 H new ATOM 2389 N ALA B 94 16.804 -6.907 0.997 1.00 0.00 N ATOM 2390 CA ALA B 94 18.080 -7.121 1.674 1.00 0.00 C ATOM 2391 C ALA B 94 19.098 -7.811 0.767 1.00 0.00 C ATOM 2392 O ALA B 94 19.394 -8.995 0.929 1.00 0.00 O ATOM 2393 CB ALA B 94 17.873 -7.918 2.955 1.00 0.00 C ATOM 0 H ALA B 94 16.051 -7.516 1.318 1.00 0.00 H new ATOM 0 HA ALA B 94 18.486 -6.142 1.929 1.00 0.00 H new ATOM 0 HB1 ALA B 94 18.833 -8.070 3.448 1.00 0.00 H new ATOM 0 HB2 ALA B 94 17.205 -7.370 3.620 1.00 0.00 H new ATOM 0 HB3 ALA B 94 17.432 -8.885 2.714 1.00 0.00 H new