USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1102 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 46 SER OG : rot 60:sc= 0.715 USER MOD Set 1.2: B 83 ASN : amide:sc= 0.636 K(o=1.4,f=-1.8) USER MOD Set 2.1: B 45 GLN : amide:sc= 0.795 K(o=1.6,f=-4) USER MOD Set 2.2: B 59 LYS NZ :NH3+ -167:sc= 0.85 (180deg=-0.0717) USER MOD Set 3.1: B 26 SER OG : rot -99:sc= 1.16 USER MOD Set 3.2: B 28 GLN : amide:sc= 0.411 K(o=1.6,f=-1.6!) USER MOD Set 4.1: A 24 GLN : amide:sc= -0.0312 K(o=-0.51,f=-1.8!) USER MOD Set 4.2: A 72 TYR OH : rot -4:sc= -0.477 USER MOD Set 5.1: A 49 GLN : amide:sc= 0.902 K(o=3,f=-7.3!) USER MOD Set 5.2: A 59 LYS NZ :NH3+ 171:sc= 2.08 (180deg=1.12) USER MOD Set 6.1: A 46 SER OG : rot -53:sc= 1.21 USER MOD Set 6.2: A 83 ASN : amide:sc= 1.08 K(o=2.3,f=-3.7!) USER MOD Set 7.1: A 26 SER OG : rot -102:sc= 1.18 USER MOD Set 7.2: A 28 GLN : amide:sc= 1.84 K(o=3,f=-6.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 72:sc= 1.24 USER MOD Single : A 32 HIS : no HD1:sc= 1.19 K(o=1.2,f=-4.9!) USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0656) USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.04) USER MOD Single : A 40 THR OG1 : rot -115:sc= 1.17 USER MOD Single : A 42 ASN : amide:sc= -1.42! C(o=-1.4!,f=-3.1!) USER MOD Single : A 44 SER OG : rot 47:sc= 0.111 USER MOD Single : A 45 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.9!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.00524 USER MOD Single : A 61 SER OG : rot 88:sc= 1.36 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= 0.555 K(o=0.55,f=-5.5!) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 1.57 K(o=1.6,f=-8.1!) USER MOD Single : B 24 GLN : amide:sc= 1.21 K(o=1.2,f=-2.8!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 SER OG : rot -85:sc= 1.12 USER MOD Single : B 32 HIS : no HD1:sc= 1.04 K(o=1,f=-5.6!) USER MOD Single : B 34 LYS NZ :NH3+ -174:sc= 1.31 (180deg=1.19) USER MOD Single : B 37 LYS NZ :NH3+ -176:sc= 1.15 (180deg=1.07) USER MOD Single : B 40 THR OG1 : rot -94:sc= 0.586 USER MOD Single : B 42 ASN : amide:sc= -0.967 K(o=-0.97,f=0) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 49 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.35) 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 61 SER OG : rot 69:sc= 1.29 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1.13) USER MOD Single : B 71 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 TYR OH : rot 30:sc= 0 USER MOD Single : B 73 HIS : no HE2:sc= 1.01 K(o=1,f=-4.5!) USER MOD Single : B 80 HIS : no HE2:sc= 0.794 K(o=0.79,f=-5!) USER MOD Single : B 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= 1.51 K(o=1.5,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -6.953 -5.424 -8.364 1.00 0.00 N ATOM 2 CA ALA A 22 -7.060 -4.345 -7.360 1.00 0.00 C ATOM 3 C ALA A 22 -5.679 -3.821 -6.995 1.00 0.00 C ATOM 4 O ALA A 22 -4.689 -4.545 -7.103 1.00 0.00 O ATOM 5 CB ALA A 22 -7.781 -4.847 -6.120 1.00 0.00 C ATOM 0 HA ALA A 22 -7.638 -3.527 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.852 -4.041 -5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.783 -5.180 -6.391 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.226 -5.680 -5.689 1.00 0.00 H new ATOM 13 N GLU A 23 -5.617 -2.567 -6.567 1.00 0.00 N ATOM 14 CA GLU A 23 -4.352 -1.941 -6.213 1.00 0.00 C ATOM 15 C GLU A 23 -4.290 -1.684 -4.708 1.00 0.00 C ATOM 16 O GLU A 23 -5.328 -1.608 -4.041 1.00 0.00 O ATOM 17 CB GLU A 23 -4.177 -0.636 -7.000 1.00 0.00 C ATOM 18 CG GLU A 23 -2.795 -0.013 -6.868 1.00 0.00 C ATOM 19 CD GLU A 23 -1.689 -1.010 -7.144 1.00 0.00 C ATOM 20 OE1 GLU A 23 -1.481 -1.368 -8.320 1.00 0.00 O ATOM 21 OE2 GLU A 23 -1.046 -1.469 -6.178 1.00 0.00 O ATOM 0 H GLU A 23 -6.431 -1.963 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.535 -2.614 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.378 -0.830 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.922 0.083 -6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.708 0.824 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.675 0.391 -5.863 1.00 0.00 H new ATOM 28 N GLN A 24 -3.080 -1.558 -4.181 1.00 0.00 N ATOM 29 CA GLN A 24 -2.877 -1.370 -2.754 1.00 0.00 C ATOM 30 C GLN A 24 -2.662 0.104 -2.434 1.00 0.00 C ATOM 31 O GLN A 24 -1.746 0.735 -2.961 1.00 0.00 O ATOM 32 CB GLN A 24 -1.679 -2.200 -2.281 1.00 0.00 C ATOM 33 CG GLN A 24 -1.464 -2.171 -0.777 1.00 0.00 C ATOM 34 CD GLN A 24 -0.504 -3.249 -0.304 1.00 0.00 C ATOM 35 OE1 GLN A 24 -0.411 -4.322 -0.905 1.00 0.00 O ATOM 36 NE2 GLN A 24 0.207 -2.977 0.777 1.00 0.00 N ATOM 0 H GLN A 24 -2.219 -1.583 -4.727 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.769 -1.708 -2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.818 -3.234 -2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.779 -1.834 -2.774 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.078 -1.194 -0.487 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.423 -2.297 -0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.100 -2.077 1.245 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.862 -3.667 1.143 1.00 0.00 H new ATOM 45 N VAL A 25 -3.519 0.646 -1.580 1.00 0.00 N ATOM 46 CA VAL A 25 -3.423 2.044 -1.180 1.00 0.00 C ATOM 47 C VAL A 25 -3.356 2.169 0.338 1.00 0.00 C ATOM 48 O VAL A 25 -3.807 1.277 1.067 1.00 0.00 O ATOM 49 CB VAL A 25 -4.618 2.875 -1.706 1.00 0.00 C ATOM 50 CG1 VAL A 25 -4.587 2.963 -3.224 1.00 0.00 C ATOM 51 CG2 VAL A 25 -5.938 2.282 -1.229 1.00 0.00 C ATOM 0 H VAL A 25 -4.291 0.137 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.506 2.437 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.532 3.885 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.436 3.552 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.660 3.440 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.643 1.960 -3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.765 2.881 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.031 1.260 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.963 2.280 -0.139 1.00 0.00 H new ATOM 61 N SER A 26 -2.796 3.270 0.814 1.00 0.00 N ATOM 62 CA SER A 26 -2.686 3.513 2.235 1.00 0.00 C ATOM 63 C SER A 26 -3.794 4.462 2.692 1.00 0.00 C ATOM 64 O SER A 26 -4.590 4.950 1.881 1.00 0.00 O ATOM 65 CB SER A 26 -1.298 4.081 2.566 1.00 0.00 C ATOM 66 OG SER A 26 -1.118 4.249 3.964 1.00 0.00 O ATOM 0 H SER A 26 -2.410 4.011 0.229 1.00 0.00 H new ATOM 0 HA SER A 26 -2.804 2.571 2.771 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.529 3.412 2.178 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.169 5.040 2.065 1.00 0.00 H new ATOM 0 HG SER A 26 -1.231 5.194 4.197 1.00 0.00 H new ATOM 72 N LYS A 27 -3.830 4.722 3.994 1.00 0.00 N ATOM 73 CA LYS A 27 -4.883 5.521 4.608 1.00 0.00 C ATOM 74 C LYS A 27 -4.971 6.903 3.972 1.00 0.00 C ATOM 75 O LYS A 27 -6.057 7.474 3.841 1.00 0.00 O ATOM 76 CB LYS A 27 -4.615 5.651 6.110 1.00 0.00 C ATOM 77 CG LYS A 27 -5.628 6.511 6.844 1.00 0.00 C ATOM 78 CD LYS A 27 -5.275 6.653 8.314 1.00 0.00 C ATOM 79 CE LYS A 27 -6.275 7.535 9.040 1.00 0.00 C ATOM 80 NZ LYS A 27 -5.968 7.641 10.490 1.00 0.00 N ATOM 0 H LYS A 27 -3.129 4.384 4.654 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.836 5.018 4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.608 4.656 6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.621 6.073 6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.672 7.497 6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.620 6.069 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.250 5.668 8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.276 7.077 8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.273 8.530 8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.278 7.130 8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.673 8.251 10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.995 6.695 10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.021 8.051 10.615 1.00 0.00 H new ATOM 94 N GLN A 28 -3.827 7.421 3.558 1.00 0.00 N ATOM 95 CA GLN A 28 -3.749 8.759 3.005 1.00 0.00 C ATOM 96 C GLN A 28 -4.440 8.839 1.645 1.00 0.00 C ATOM 97 O GLN A 28 -5.117 9.826 1.348 1.00 0.00 O ATOM 98 CB GLN A 28 -2.290 9.216 2.903 1.00 0.00 C ATOM 99 CG GLN A 28 -1.599 9.359 4.255 1.00 0.00 C ATOM 100 CD GLN A 28 -0.910 8.088 4.730 1.00 0.00 C ATOM 101 OE1 GLN A 28 -1.296 6.974 4.378 1.00 0.00 O ATOM 102 NE2 GLN A 28 0.101 8.250 5.568 1.00 0.00 N ATOM 0 H GLN A 28 -2.934 6.929 3.596 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.274 9.433 3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.736 8.501 2.295 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.253 10.173 2.383 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.862 10.159 4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.336 9.662 4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.394 9.189 5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.587 7.436 5.944 1.00 0.00 H new ATOM 111 N GLU A 29 -4.300 7.796 0.830 1.00 0.00 N ATOM 112 CA GLU A 29 -4.937 7.785 -0.480 1.00 0.00 C ATOM 113 C GLU A 29 -6.439 7.609 -0.323 1.00 0.00 C ATOM 114 O GLU A 29 -7.226 8.276 -0.991 1.00 0.00 O ATOM 115 CB GLU A 29 -4.376 6.678 -1.380 1.00 0.00 C ATOM 116 CG GLU A 29 -2.871 6.745 -1.583 1.00 0.00 C ATOM 117 CD GLU A 29 -2.117 5.902 -0.579 1.00 0.00 C ATOM 118 OE1 GLU A 29 -2.106 6.256 0.615 1.00 0.00 O ATOM 119 OE2 GLU A 29 -1.552 4.866 -0.977 1.00 0.00 O ATOM 0 H GLU A 29 -3.759 6.960 1.051 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.724 8.741 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.631 5.710 -0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.866 6.732 -2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.628 6.409 -2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.542 7.781 -1.504 1.00 0.00 H new ATOM 126 N ILE A 30 -6.824 6.720 0.584 1.00 0.00 N ATOM 127 CA ILE A 30 -8.232 6.464 0.863 1.00 0.00 C ATOM 128 C ILE A 30 -8.939 7.752 1.274 1.00 0.00 C ATOM 129 O ILE A 30 -10.011 8.081 0.761 1.00 0.00 O ATOM 130 CB ILE A 30 -8.402 5.422 1.989 1.00 0.00 C ATOM 131 CG1 ILE A 30 -7.657 4.133 1.637 1.00 0.00 C ATOM 132 CG2 ILE A 30 -9.877 5.134 2.236 1.00 0.00 C ATOM 133 CD1 ILE A 30 -7.622 3.130 2.769 1.00 0.00 C ATOM 0 H ILE A 30 -6.178 6.162 1.142 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.677 6.073 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.976 5.832 2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.131 3.674 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.635 4.380 1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.975 4.397 3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.383 6.054 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.329 4.744 1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.079 2.240 2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.122 3.571 3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.640 2.854 3.042 1.00 0.00 H new ATOM 145 N SER A 31 -8.310 8.487 2.179 1.00 0.00 N ATOM 146 CA SER A 31 -8.900 9.694 2.730 1.00 0.00 C ATOM 147 C SER A 31 -8.884 10.842 1.718 1.00 0.00 C ATOM 148 O SER A 31 -9.796 11.665 1.696 1.00 0.00 O ATOM 149 CB SER A 31 -8.151 10.098 4.002 1.00 0.00 C ATOM 150 OG SER A 31 -8.068 9.007 4.908 1.00 0.00 O ATOM 0 H SER A 31 -7.385 8.265 2.548 1.00 0.00 H new ATOM 0 HA SER A 31 -9.942 9.484 2.971 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.148 10.440 3.746 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.661 10.935 4.479 1.00 0.00 H new ATOM 0 HG SER A 31 -7.437 8.342 4.562 1.00 0.00 H new ATOM 156 N HIS A 32 -7.862 10.888 0.870 1.00 0.00 N ATOM 157 CA HIS A 32 -7.725 11.990 -0.075 1.00 0.00 C ATOM 158 C HIS A 32 -8.597 11.776 -1.312 1.00 0.00 C ATOM 159 O HIS A 32 -9.168 12.725 -1.843 1.00 0.00 O ATOM 160 CB HIS A 32 -6.262 12.180 -0.488 1.00 0.00 C ATOM 161 CG HIS A 32 -6.009 13.478 -1.196 1.00 0.00 C ATOM 162 ND1 HIS A 32 -5.389 13.568 -2.425 1.00 0.00 N ATOM 163 CD2 HIS A 32 -6.292 14.750 -0.829 1.00 0.00 C ATOM 164 CE1 HIS A 32 -5.306 14.837 -2.781 1.00 0.00 C ATOM 165 NE2 HIS A 32 -5.846 15.573 -1.831 1.00 0.00 N ATOM 0 H HIS A 32 -7.125 10.185 0.817 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.065 12.894 0.430 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.632 12.130 0.400 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.965 11.356 -1.137 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.779 15.059 0.084 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.869 15.209 -3.696 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.920 16.590 -1.839 1.00 0.00 H new ATOM 174 N PHE A 33 -8.698 10.530 -1.764 1.00 0.00 N ATOM 175 CA PHE A 33 -9.495 10.215 -2.948 1.00 0.00 C ATOM 176 C PHE A 33 -10.943 9.909 -2.579 1.00 0.00 C ATOM 177 O PHE A 33 -11.793 9.770 -3.459 1.00 0.00 O ATOM 178 CB PHE A 33 -8.894 9.033 -3.715 1.00 0.00 C ATOM 179 CG PHE A 33 -7.605 9.357 -4.415 1.00 0.00 C ATOM 180 CD1 PHE A 33 -7.606 10.117 -5.572 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.395 8.902 -3.917 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.424 10.419 -6.222 1.00 0.00 C ATOM 183 CE2 PHE A 33 -5.210 9.199 -4.562 1.00 0.00 C ATOM 184 CZ PHE A 33 -5.224 9.958 -5.716 1.00 0.00 C ATOM 0 H PHE A 33 -8.242 9.726 -1.333 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.481 11.096 -3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.723 8.211 -3.020 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.618 8.683 -4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.542 10.478 -5.972 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.378 8.309 -3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.439 11.014 -7.123 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.273 8.838 -4.164 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.299 10.191 -6.222 1.00 0.00 H new ATOM 194 N LYS A 34 -11.206 9.801 -1.275 1.00 0.00 N ATOM 195 CA LYS A 34 -12.558 9.564 -0.764 1.00 0.00 C ATOM 196 C LYS A 34 -13.095 8.222 -1.260 1.00 0.00 C ATOM 197 O LYS A 34 -14.211 8.132 -1.771 1.00 0.00 O ATOM 198 CB LYS A 34 -13.498 10.709 -1.172 1.00 0.00 C ATOM 199 CG LYS A 34 -13.040 12.079 -0.689 1.00 0.00 C ATOM 200 CD LYS A 34 -13.002 12.151 0.829 1.00 0.00 C ATOM 201 CE LYS A 34 -12.412 13.465 1.318 1.00 0.00 C ATOM 202 NZ LYS A 34 -13.200 14.642 0.865 1.00 0.00 N ATOM 0 H LYS A 34 -10.494 9.875 -0.548 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.512 9.531 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.584 10.727 -2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.494 10.508 -0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.049 12.295 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.713 12.845 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.012 12.037 1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.412 11.321 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.368 13.458 2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.387 13.557 0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.820 15.504 1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.137 14.725 -0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.195 14.521 1.143 1.00 0.00 H new ATOM 216 N LEU A 35 -12.286 7.182 -1.089 1.00 0.00 N ATOM 217 CA LEU A 35 -12.642 5.843 -1.547 1.00 0.00 C ATOM 218 C LEU A 35 -13.820 5.284 -0.756 1.00 0.00 C ATOM 219 O LEU A 35 -13.905 5.456 0.464 1.00 0.00 O ATOM 220 CB LEU A 35 -11.440 4.903 -1.428 1.00 0.00 C ATOM 221 CG LEU A 35 -10.222 5.294 -2.270 1.00 0.00 C ATOM 222 CD1 LEU A 35 -9.093 4.298 -2.063 1.00 0.00 C ATOM 223 CD2 LEU A 35 -10.595 5.379 -3.743 1.00 0.00 C ATOM 0 H LEU A 35 -11.375 7.241 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.937 5.916 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.138 4.855 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.754 3.899 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.880 6.277 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.235 4.590 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.808 4.285 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.426 3.304 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.717 5.658 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.962 4.410 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.374 6.130 -3.878 1.00 0.00 H new ATOM 235 N VAL A 36 -14.715 4.606 -1.458 1.00 0.00 N ATOM 236 CA VAL A 36 -15.925 4.065 -0.857 1.00 0.00 C ATOM 237 C VAL A 36 -15.679 2.661 -0.310 1.00 0.00 C ATOM 238 O VAL A 36 -15.193 1.783 -1.025 1.00 0.00 O ATOM 239 CB VAL A 36 -17.079 4.022 -1.885 1.00 0.00 C ATOM 240 CG1 VAL A 36 -18.354 3.474 -1.258 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.323 5.405 -2.474 1.00 0.00 C ATOM 0 H VAL A 36 -14.624 4.416 -2.456 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.206 4.723 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.786 3.349 -2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.148 3.456 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.175 2.462 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.653 4.111 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.139 5.355 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.587 6.099 -1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.418 5.753 -2.973 1.00 0.00 H new ATOM 251 N LYS A 37 -16.012 2.463 0.958 1.00 0.00 N ATOM 252 CA LYS A 37 -15.857 1.169 1.607 1.00 0.00 C ATOM 253 C LYS A 37 -16.959 0.221 1.147 1.00 0.00 C ATOM 254 O LYS A 37 -18.147 0.473 1.366 1.00 0.00 O ATOM 255 CB LYS A 37 -15.876 1.358 3.133 1.00 0.00 C ATOM 256 CG LYS A 37 -15.708 0.088 3.961 1.00 0.00 C ATOM 257 CD LYS A 37 -17.051 -0.550 4.282 1.00 0.00 C ATOM 258 CE LYS A 37 -16.984 -1.424 5.527 1.00 0.00 C ATOM 259 NZ LYS A 37 -16.143 -2.634 5.334 1.00 0.00 N ATOM 0 H LYS A 37 -16.395 3.190 1.562 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.901 0.726 1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.082 2.054 3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.820 1.828 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.087 -0.623 3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.185 0.323 4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.798 0.231 4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.379 -1.151 3.434 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.586 -0.839 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.993 -1.728 5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.118 -3.184 6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.545 -3.218 4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.177 -2.348 5.077 1.00 0.00 H new ATOM 273 N VAL A 38 -16.561 -0.858 0.490 1.00 0.00 N ATOM 274 CA VAL A 38 -17.510 -1.828 -0.034 1.00 0.00 C ATOM 275 C VAL A 38 -17.669 -3.003 0.922 1.00 0.00 C ATOM 276 O VAL A 38 -18.785 -3.382 1.276 1.00 0.00 O ATOM 277 CB VAL A 38 -17.069 -2.355 -1.418 1.00 0.00 C ATOM 278 CG1 VAL A 38 -18.085 -3.344 -1.974 1.00 0.00 C ATOM 279 CG2 VAL A 38 -16.860 -1.203 -2.388 1.00 0.00 C ATOM 0 H VAL A 38 -15.583 -1.084 0.307 1.00 0.00 H new ATOM 0 HA VAL A 38 -18.467 -1.316 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 38 -16.121 -2.878 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.751 -3.700 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.181 -4.189 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -19.052 -2.852 -2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.550 -1.595 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.792 -0.650 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -16.088 -0.538 -2.002 1.00 0.00 H new ATOM 289 N GLY A 39 -16.548 -3.562 1.358 1.00 0.00 N ATOM 290 CA GLY A 39 -16.593 -4.742 2.196 1.00 0.00 C ATOM 291 C GLY A 39 -15.265 -5.034 2.857 1.00 0.00 C ATOM 292 O GLY A 39 -14.349 -4.215 2.806 1.00 0.00 O ATOM 0 H GLY A 39 -15.611 -3.220 1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.356 -4.610 2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.892 -5.600 1.594 1.00 0.00 H new ATOM 296 N THR A 40 -15.166 -6.201 3.474 1.00 0.00 N ATOM 297 CA THR A 40 -13.956 -6.615 4.166 1.00 0.00 C ATOM 298 C THR A 40 -13.546 -8.019 3.720 1.00 0.00 C ATOM 299 O THR A 40 -14.399 -8.889 3.533 1.00 0.00 O ATOM 300 CB THR A 40 -14.172 -6.609 5.693 1.00 0.00 C ATOM 301 OG1 THR A 40 -14.696 -5.340 6.109 1.00 0.00 O ATOM 302 CG2 THR A 40 -12.874 -6.891 6.436 1.00 0.00 C ATOM 0 H THR A 40 -15.921 -6.886 3.509 1.00 0.00 H new ATOM 0 HA THR A 40 -13.165 -5.908 3.916 1.00 0.00 H new ATOM 0 HB THR A 40 -14.884 -7.398 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.041 -4.886 6.679 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.060 -6.880 7.510 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.493 -7.869 6.144 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.139 -6.126 6.187 1.00 0.00 H new ATOM 310 N ILE A 41 -12.251 -8.232 3.539 1.00 0.00 N ATOM 311 CA ILE A 41 -11.738 -9.537 3.147 1.00 0.00 C ATOM 312 C ILE A 41 -10.606 -9.972 4.071 1.00 0.00 C ATOM 313 O ILE A 41 -9.661 -9.220 4.315 1.00 0.00 O ATOM 314 CB ILE A 41 -11.243 -9.549 1.681 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.261 -8.397 1.427 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.426 -9.474 0.726 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.667 -8.394 0.034 1.00 0.00 C ATOM 0 H ILE A 41 -11.534 -7.516 3.658 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.566 -10.241 3.231 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.713 -10.485 1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.775 -7.451 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.453 -8.454 2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.065 -9.483 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.080 -10.331 0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.982 -8.554 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.984 -7.551 -0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.123 -9.324 -0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.466 -8.305 -0.702 1.00 0.00 H new ATOM 329 N ASN A 42 -10.717 -11.179 4.601 1.00 0.00 N ATOM 330 CA ASN A 42 -9.698 -11.708 5.497 1.00 0.00 C ATOM 331 C ASN A 42 -8.951 -12.840 4.819 1.00 0.00 C ATOM 332 O ASN A 42 -9.546 -13.856 4.456 1.00 0.00 O ATOM 333 CB ASN A 42 -10.309 -12.227 6.804 1.00 0.00 C ATOM 334 CG ASN A 42 -11.179 -11.207 7.516 1.00 0.00 C ATOM 335 OD1 ASN A 42 -11.022 -9.999 7.348 1.00 0.00 O ATOM 336 ND2 ASN A 42 -12.092 -11.694 8.342 1.00 0.00 N ATOM 0 H ASN A 42 -11.499 -11.810 4.428 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.014 -10.893 5.734 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.905 -13.114 6.589 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.506 -12.537 7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.696 -11.060 8.866 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.192 -12.703 8.454 1.00 0.00 H new ATOM 343 N VAL A 43 -7.655 -12.672 4.642 1.00 0.00 N ATOM 344 CA VAL A 43 -6.839 -13.713 4.051 1.00 0.00 C ATOM 345 C VAL A 43 -6.078 -14.453 5.137 1.00 0.00 C ATOM 346 O VAL A 43 -5.073 -13.966 5.650 1.00 0.00 O ATOM 347 CB VAL A 43 -5.841 -13.148 3.017 1.00 0.00 C ATOM 348 CG1 VAL A 43 -5.020 -14.267 2.390 1.00 0.00 C ATOM 349 CG2 VAL A 43 -6.573 -12.358 1.942 1.00 0.00 C ATOM 0 H VAL A 43 -7.146 -11.826 4.899 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.509 -14.398 3.531 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.160 -12.474 3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.324 -13.845 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.462 -14.789 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.686 -14.969 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.853 -11.968 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.281 -13.010 1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.111 -11.529 2.402 1.00 0.00 H new ATOM 359 N SER A 44 -6.584 -15.617 5.501 1.00 0.00 N ATOM 360 CA SER A 44 -5.945 -16.451 6.499 1.00 0.00 C ATOM 361 C SER A 44 -5.483 -17.759 5.876 1.00 0.00 C ATOM 362 O SER A 44 -6.295 -18.633 5.571 1.00 0.00 O ATOM 363 CB SER A 44 -6.913 -16.713 7.654 1.00 0.00 C ATOM 364 OG SER A 44 -8.200 -17.061 7.171 1.00 0.00 O ATOM 0 H SER A 44 -7.444 -16.008 5.116 1.00 0.00 H new ATOM 0 HA SER A 44 -5.069 -15.933 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.527 -17.516 8.281 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.984 -15.825 8.282 1.00 0.00 H new ATOM 0 HG SER A 44 -8.114 -17.740 6.470 1.00 0.00 H new ATOM 370 N GLN A 45 -4.185 -17.872 5.661 1.00 0.00 N ATOM 371 CA GLN A 45 -3.612 -19.062 5.053 1.00 0.00 C ATOM 372 C GLN A 45 -2.416 -19.543 5.854 1.00 0.00 C ATOM 373 O GLN A 45 -1.739 -18.750 6.512 1.00 0.00 O ATOM 374 CB GLN A 45 -3.184 -18.781 3.610 1.00 0.00 C ATOM 375 CG GLN A 45 -4.338 -18.549 2.645 1.00 0.00 C ATOM 376 CD GLN A 45 -5.264 -19.747 2.535 1.00 0.00 C ATOM 377 OE1 GLN A 45 -4.843 -20.890 2.707 1.00 0.00 O ATOM 378 NE2 GLN A 45 -6.529 -19.495 2.237 1.00 0.00 N ATOM 0 H GLN A 45 -3.504 -17.151 5.899 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.376 -19.839 5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.537 -17.904 3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.589 -19.621 3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.911 -17.682 2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.939 -18.313 1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.839 -18.533 2.102 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.193 -20.263 2.142 1.00 0.00 H new ATOM 387 N SER A 46 -2.163 -20.840 5.801 1.00 0.00 N ATOM 388 CA SER A 46 -1.009 -21.417 6.464 1.00 0.00 C ATOM 389 C SER A 46 0.266 -21.101 5.687 1.00 0.00 C ATOM 390 O SER A 46 0.207 -20.736 4.506 1.00 0.00 O ATOM 391 CB SER A 46 -1.188 -22.929 6.589 1.00 0.00 C ATOM 392 OG SER A 46 -2.412 -23.237 7.232 1.00 0.00 O ATOM 0 H SER A 46 -2.745 -21.514 5.303 1.00 0.00 H new ATOM 0 HA SER A 46 -0.922 -20.983 7.460 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.166 -23.386 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.358 -23.353 7.154 1.00 0.00 H new ATOM 0 HG SER A 46 -2.469 -22.747 8.079 1.00 0.00 H new ATOM 398 N GLY A 47 1.406 -21.221 6.361 1.00 0.00 N ATOM 399 CA GLY A 47 2.690 -21.013 5.717 1.00 0.00 C ATOM 400 C GLY A 47 2.873 -21.905 4.505 1.00 0.00 C ATOM 401 O GLY A 47 3.120 -23.104 4.636 1.00 0.00 O ATOM 0 H GLY A 47 1.462 -21.461 7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.778 -19.969 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.489 -21.206 6.433 1.00 0.00 H new ATOM 405 N GLY A 48 2.736 -21.318 3.329 1.00 0.00 N ATOM 406 CA GLY A 48 2.821 -22.074 2.098 1.00 0.00 C ATOM 407 C GLY A 48 2.045 -21.401 0.990 1.00 0.00 C ATOM 408 O GLY A 48 2.483 -21.367 -0.158 1.00 0.00 O ATOM 0 H GLY A 48 2.566 -20.320 3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.865 -22.178 1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.433 -23.080 2.258 1.00 0.00 H new ATOM 412 N GLN A 49 0.885 -20.857 1.341 1.00 0.00 N ATOM 413 CA GLN A 49 0.088 -20.087 0.397 1.00 0.00 C ATOM 414 C GLN A 49 0.698 -18.707 0.208 1.00 0.00 C ATOM 415 O GLN A 49 1.284 -18.411 -0.834 1.00 0.00 O ATOM 416 CB GLN A 49 -1.353 -19.957 0.889 1.00 0.00 C ATOM 417 CG GLN A 49 -2.162 -21.235 0.760 1.00 0.00 C ATOM 418 CD GLN A 49 -2.482 -21.573 -0.683 1.00 0.00 C ATOM 419 OE1 GLN A 49 -2.630 -20.684 -1.522 1.00 0.00 O ATOM 420 NE2 GLN A 49 -2.592 -22.854 -0.977 1.00 0.00 N ATOM 0 H GLN A 49 0.477 -20.936 2.272 1.00 0.00 H new ATOM 0 HA GLN A 49 0.082 -20.611 -0.559 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.344 -19.648 1.934 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.849 -19.166 0.327 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.608 -22.059 1.209 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.091 -21.132 1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.461 -23.557 -0.250 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.808 -23.141 -1.932 1.00 0.00 H new ATOM 429 N ILE A 50 0.593 -17.880 1.241 1.00 0.00 N ATOM 430 CA ILE A 50 1.154 -16.538 1.204 1.00 0.00 C ATOM 431 C ILE A 50 2.653 -16.595 1.495 1.00 0.00 C ATOM 432 O ILE A 50 3.132 -16.092 2.514 1.00 0.00 O ATOM 433 CB ILE A 50 0.461 -15.599 2.219 1.00 0.00 C ATOM 434 CG1 ILE A 50 -1.066 -15.712 2.118 1.00 0.00 C ATOM 435 CG2 ILE A 50 0.898 -14.154 2.002 1.00 0.00 C ATOM 436 CD1 ILE A 50 -1.629 -15.295 0.775 1.00 0.00 C ATOM 0 H ILE A 50 0.124 -18.117 2.115 1.00 0.00 H new ATOM 0 HA ILE A 50 0.985 -16.134 0.206 1.00 0.00 H new ATOM 0 HB ILE A 50 0.763 -15.908 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.357 -16.743 2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.517 -15.097 2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.399 -13.510 2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.978 -14.077 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.630 -13.841 0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.713 -15.404 0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.371 -14.254 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.208 -15.926 -0.008 1.00 0.00 H new ATOM 448 N SER A 51 3.377 -17.259 0.614 1.00 0.00 N ATOM 449 CA SER A 51 4.818 -17.367 0.722 1.00 0.00 C ATOM 450 C SER A 51 5.477 -16.148 0.095 1.00 0.00 C ATOM 451 O SER A 51 6.468 -15.620 0.602 1.00 0.00 O ATOM 452 CB SER A 51 5.279 -18.645 0.026 1.00 0.00 C ATOM 453 OG SER A 51 4.644 -18.777 -1.235 1.00 0.00 O ATOM 0 H SER A 51 2.983 -17.738 -0.196 1.00 0.00 H new ATOM 0 HA SER A 51 5.107 -17.410 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.361 -18.626 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.049 -19.509 0.649 1.00 0.00 H new ATOM 0 HG SER A 51 4.950 -19.600 -1.671 1.00 0.00 H new ATOM 459 N SER A 52 4.902 -15.703 -1.010 1.00 0.00 N ATOM 460 CA SER A 52 5.391 -14.538 -1.714 1.00 0.00 C ATOM 461 C SER A 52 4.307 -13.460 -1.750 1.00 0.00 C ATOM 462 O SER A 52 3.111 -13.774 -1.750 1.00 0.00 O ATOM 463 CB SER A 52 5.800 -14.931 -3.137 1.00 0.00 C ATOM 464 OG SER A 52 6.711 -16.020 -3.122 1.00 0.00 O ATOM 0 H SER A 52 4.087 -16.140 -1.440 1.00 0.00 H new ATOM 0 HA SER A 52 6.262 -14.139 -1.194 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.914 -15.201 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.257 -14.077 -3.637 1.00 0.00 H new ATOM 0 HG SER A 52 6.956 -16.254 -4.042 1.00 0.00 H new ATOM 470 N PRO A 53 4.704 -12.176 -1.770 1.00 0.00 N ATOM 471 CA PRO A 53 3.757 -11.057 -1.861 1.00 0.00 C ATOM 472 C PRO A 53 2.876 -11.166 -3.103 1.00 0.00 C ATOM 473 O PRO A 53 1.760 -10.646 -3.140 1.00 0.00 O ATOM 474 CB PRO A 53 4.661 -9.823 -1.948 1.00 0.00 C ATOM 475 CG PRO A 53 5.955 -10.255 -1.348 1.00 0.00 C ATOM 476 CD PRO A 53 6.100 -11.710 -1.690 1.00 0.00 C ATOM 0 HA PRO A 53 3.069 -11.028 -1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.792 -9.501 -2.981 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.234 -8.981 -1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.785 -9.674 -1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.955 -10.105 -0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.627 -11.852 -2.634 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.662 -12.249 -0.927 1.00 0.00 H new ATOM 484 N SER A 54 3.392 -11.862 -4.109 1.00 0.00 N ATOM 485 CA SER A 54 2.664 -12.108 -5.345 1.00 0.00 C ATOM 486 C SER A 54 1.393 -12.920 -5.087 1.00 0.00 C ATOM 487 O SER A 54 0.394 -12.763 -5.792 1.00 0.00 O ATOM 488 CB SER A 54 3.572 -12.851 -6.321 1.00 0.00 C ATOM 489 OG SER A 54 4.845 -12.232 -6.386 1.00 0.00 O ATOM 0 H SER A 54 4.326 -12.271 -4.090 1.00 0.00 H new ATOM 0 HA SER A 54 2.365 -11.151 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.682 -13.889 -6.006 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.117 -12.865 -7.311 1.00 0.00 H new ATOM 0 HG SER A 54 5.415 -12.722 -7.015 1.00 0.00 H new ATOM 495 N ASP A 55 1.432 -13.783 -4.073 1.00 0.00 N ATOM 496 CA ASP A 55 0.273 -14.598 -3.726 1.00 0.00 C ATOM 497 C ASP A 55 -0.671 -13.799 -2.845 1.00 0.00 C ATOM 498 O ASP A 55 -1.891 -13.868 -2.999 1.00 0.00 O ATOM 499 CB ASP A 55 0.692 -15.878 -3.001 1.00 0.00 C ATOM 500 CG ASP A 55 -0.429 -16.901 -2.960 1.00 0.00 C ATOM 501 OD1 ASP A 55 -0.542 -17.700 -3.915 1.00 0.00 O ATOM 502 OD2 ASP A 55 -1.199 -16.915 -1.983 1.00 0.00 O ATOM 0 H ASP A 55 2.249 -13.934 -3.482 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.233 -14.879 -4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.559 -16.310 -3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.998 -15.635 -1.984 1.00 0.00 H new ATOM 507 N LEU A 56 -0.092 -13.025 -1.932 1.00 0.00 N ATOM 508 CA LEU A 56 -0.872 -12.157 -1.057 1.00 0.00 C ATOM 509 C LEU A 56 -1.726 -11.197 -1.879 1.00 0.00 C ATOM 510 O LEU A 56 -2.934 -11.090 -1.672 1.00 0.00 O ATOM 511 CB LEU A 56 0.051 -11.369 -0.122 1.00 0.00 C ATOM 512 CG LEU A 56 -0.658 -10.431 0.860 1.00 0.00 C ATOM 513 CD1 LEU A 56 -1.564 -11.218 1.797 1.00 0.00 C ATOM 514 CD2 LEU A 56 0.358 -9.624 1.652 1.00 0.00 C ATOM 0 H LEU A 56 0.916 -12.981 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.530 -12.783 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.654 -12.076 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.739 -10.780 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.277 -9.740 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.058 -10.533 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.315 -11.751 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.968 -11.935 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.163 -8.963 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.003 -10.301 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.963 -9.029 0.968 1.00 0.00 H new ATOM 526 N ARG A 57 -1.092 -10.515 -2.829 1.00 0.00 N ATOM 527 CA ARG A 57 -1.799 -9.577 -3.690 1.00 0.00 C ATOM 528 C ARG A 57 -2.794 -10.310 -4.585 1.00 0.00 C ATOM 529 O ARG A 57 -3.837 -9.763 -4.939 1.00 0.00 O ATOM 530 CB ARG A 57 -0.812 -8.768 -4.538 1.00 0.00 C ATOM 531 CG ARG A 57 -1.488 -7.815 -5.513 1.00 0.00 C ATOM 532 CD ARG A 57 -0.486 -6.884 -6.173 1.00 0.00 C ATOM 533 NE ARG A 57 -1.107 -6.048 -7.203 1.00 0.00 N ATOM 534 CZ ARG A 57 -1.117 -4.713 -7.173 1.00 0.00 C ATOM 535 NH1 ARG A 57 -0.646 -4.064 -6.116 1.00 0.00 N ATOM 536 NH2 ARG A 57 -1.628 -4.028 -8.187 1.00 0.00 N ATOM 0 H ARG A 57 -0.093 -10.595 -3.020 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.352 -8.886 -3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.160 -8.197 -3.877 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.176 -9.455 -5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.012 -8.388 -6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.239 -7.227 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.030 -6.247 -5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.316 -7.472 -6.619 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.559 -6.513 -7.990 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.274 -4.585 -5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.656 -3.044 -6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.015 -4.521 -8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.635 -3.008 -8.162 1.00 0.00 H new ATOM 550 N GLU A 58 -2.474 -11.551 -4.938 1.00 0.00 N ATOM 551 CA GLU A 58 -3.366 -12.360 -5.757 1.00 0.00 C ATOM 552 C GLU A 58 -4.677 -12.595 -5.017 1.00 0.00 C ATOM 553 O GLU A 58 -5.753 -12.330 -5.551 1.00 0.00 O ATOM 554 CB GLU A 58 -2.717 -13.698 -6.112 1.00 0.00 C ATOM 555 CG GLU A 58 -3.520 -14.511 -7.111 1.00 0.00 C ATOM 556 CD GLU A 58 -2.955 -15.897 -7.323 1.00 0.00 C ATOM 557 OE1 GLU A 58 -1.872 -16.017 -7.937 1.00 0.00 O ATOM 558 OE2 GLU A 58 -3.587 -16.873 -6.871 1.00 0.00 O ATOM 0 H GLU A 58 -1.606 -12.016 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.567 -11.822 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.723 -13.514 -6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.585 -14.282 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.550 -14.592 -6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.546 -13.984 -8.065 1.00 0.00 H new ATOM 565 N LYS A 59 -4.571 -13.072 -3.778 1.00 0.00 N ATOM 566 CA LYS A 59 -5.741 -13.277 -2.930 1.00 0.00 C ATOM 567 C LYS A 59 -6.538 -11.988 -2.791 1.00 0.00 C ATOM 568 O LYS A 59 -7.734 -11.955 -3.072 1.00 0.00 O ATOM 569 CB LYS A 59 -5.329 -13.765 -1.537 1.00 0.00 C ATOM 570 CG LYS A 59 -5.420 -15.271 -1.346 1.00 0.00 C ATOM 571 CD LYS A 59 -4.395 -16.021 -2.176 1.00 0.00 C ATOM 572 CE LYS A 59 -4.501 -17.519 -1.946 1.00 0.00 C ATOM 573 NZ LYS A 59 -3.391 -18.263 -2.595 1.00 0.00 N ATOM 0 H LYS A 59 -3.685 -13.324 -3.340 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.362 -14.036 -3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.304 -13.448 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.960 -13.278 -0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.276 -15.510 -0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.420 -15.609 -1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.545 -15.800 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.392 -15.680 -1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.496 -17.722 -0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.454 -17.879 -2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.414 -19.257 -2.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.499 -18.216 -3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.482 -17.838 -2.322 1.00 0.00 H new ATOM 587 N LEU A 60 -5.858 -10.926 -2.379 1.00 0.00 N ATOM 588 CA LEU A 60 -6.498 -9.637 -2.147 1.00 0.00 C ATOM 589 C LEU A 60 -7.205 -9.128 -3.402 1.00 0.00 C ATOM 590 O LEU A 60 -8.330 -8.635 -3.330 1.00 0.00 O ATOM 591 CB LEU A 60 -5.460 -8.620 -1.670 1.00 0.00 C ATOM 592 CG LEU A 60 -4.803 -8.953 -0.328 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.654 -8.003 -0.041 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.827 -8.900 0.795 1.00 0.00 C ATOM 0 H LEU A 60 -4.854 -10.933 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.255 -9.769 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.681 -8.534 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.938 -7.644 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.404 -9.966 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.202 -8.258 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.906 -8.088 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.028 -6.980 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.342 -9.139 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.255 -7.899 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.619 -9.623 0.600 1.00 0.00 H new ATOM 606 N SER A 61 -6.556 -9.264 -4.550 1.00 0.00 N ATOM 607 CA SER A 61 -7.128 -8.802 -5.806 1.00 0.00 C ATOM 608 C SER A 61 -8.302 -9.692 -6.225 1.00 0.00 C ATOM 609 O SER A 61 -9.305 -9.207 -6.754 1.00 0.00 O ATOM 610 CB SER A 61 -6.055 -8.782 -6.899 1.00 0.00 C ATOM 611 OG SER A 61 -6.512 -8.116 -8.065 1.00 0.00 O ATOM 0 H SER A 61 -5.633 -9.690 -4.637 1.00 0.00 H new ATOM 0 HA SER A 61 -7.502 -7.788 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.160 -8.286 -6.523 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.771 -9.804 -7.150 1.00 0.00 H new ATOM 0 HG SER A 61 -6.327 -7.157 -7.988 1.00 0.00 H new ATOM 617 N GLU A 62 -8.172 -10.991 -5.970 1.00 0.00 N ATOM 618 CA GLU A 62 -9.211 -11.956 -6.311 1.00 0.00 C ATOM 619 C GLU A 62 -10.460 -11.716 -5.469 1.00 0.00 C ATOM 620 O GLU A 62 -11.575 -11.657 -5.990 1.00 0.00 O ATOM 621 CB GLU A 62 -8.694 -13.380 -6.091 1.00 0.00 C ATOM 622 CG GLU A 62 -9.650 -14.468 -6.552 1.00 0.00 C ATOM 623 CD GLU A 62 -9.138 -15.858 -6.233 1.00 0.00 C ATOM 624 OE1 GLU A 62 -8.226 -16.338 -6.936 1.00 0.00 O ATOM 625 OE2 GLU A 62 -9.635 -16.472 -5.264 1.00 0.00 O ATOM 0 H GLU A 62 -7.351 -11.401 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.472 -11.830 -7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.747 -13.496 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.487 -13.520 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.619 -14.322 -6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.807 -14.379 -7.627 1.00 0.00 H new ATOM 632 N LEU A 63 -10.262 -11.562 -4.167 1.00 0.00 N ATOM 633 CA LEU A 63 -11.368 -11.341 -3.245 1.00 0.00 C ATOM 634 C LEU A 63 -12.009 -9.977 -3.494 1.00 0.00 C ATOM 635 O LEU A 63 -13.215 -9.806 -3.322 1.00 0.00 O ATOM 636 CB LEU A 63 -10.885 -11.437 -1.793 1.00 0.00 C ATOM 637 CG LEU A 63 -10.106 -12.708 -1.431 1.00 0.00 C ATOM 638 CD1 LEU A 63 -9.714 -12.688 0.037 1.00 0.00 C ATOM 639 CD2 LEU A 63 -10.911 -13.959 -1.750 1.00 0.00 C ATOM 0 H LEU A 63 -9.343 -11.586 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.115 -12.116 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.253 -10.574 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.752 -11.365 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.200 -12.731 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.162 -13.596 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.087 -11.819 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.612 -12.635 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.332 -14.843 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.841 -13.948 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.138 -13.984 -2.816 1.00 0.00 H new ATOM 651 N ALA A 64 -11.195 -9.011 -3.911 1.00 0.00 N ATOM 652 CA ALA A 64 -11.687 -7.671 -4.214 1.00 0.00 C ATOM 653 C ALA A 64 -12.630 -7.692 -5.412 1.00 0.00 C ATOM 654 O ALA A 64 -13.603 -6.942 -5.457 1.00 0.00 O ATOM 655 CB ALA A 64 -10.532 -6.718 -4.468 1.00 0.00 C ATOM 0 H ALA A 64 -10.191 -9.132 -4.047 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.244 -7.317 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.922 -5.725 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.900 -6.668 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.944 -7.076 -5.313 1.00 0.00 H new ATOM 661 N ASP A 65 -12.341 -8.558 -6.378 1.00 0.00 N ATOM 662 CA ASP A 65 -13.208 -8.718 -7.545 1.00 0.00 C ATOM 663 C ASP A 65 -14.530 -9.346 -7.127 1.00 0.00 C ATOM 664 O ASP A 65 -15.602 -8.943 -7.584 1.00 0.00 O ATOM 665 CB ASP A 65 -12.531 -9.591 -8.607 1.00 0.00 C ATOM 666 CG ASP A 65 -13.435 -9.875 -9.794 1.00 0.00 C ATOM 667 OD1 ASP A 65 -14.184 -10.876 -9.754 1.00 0.00 O ATOM 668 OD2 ASP A 65 -13.401 -9.102 -10.775 1.00 0.00 O ATOM 0 H ASP A 65 -11.517 -9.159 -6.378 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.395 -7.733 -7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.625 -9.095 -8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.224 -10.534 -8.155 1.00 0.00 H new ATOM 673 N ALA A 66 -14.443 -10.319 -6.228 1.00 0.00 N ATOM 674 CA ALA A 66 -15.620 -11.017 -5.729 1.00 0.00 C ATOM 675 C ALA A 66 -16.516 -10.088 -4.908 1.00 0.00 C ATOM 676 O ALA A 66 -17.715 -10.334 -4.764 1.00 0.00 O ATOM 677 CB ALA A 66 -15.201 -12.219 -4.898 1.00 0.00 C ATOM 0 H ALA A 66 -13.563 -10.644 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.197 -11.360 -6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -16.088 -12.734 -4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.615 -12.901 -5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.598 -11.885 -4.053 1.00 0.00 H new ATOM 683 N LYS A 67 -15.932 -9.030 -4.361 1.00 0.00 N ATOM 684 CA LYS A 67 -16.698 -8.053 -3.596 1.00 0.00 C ATOM 685 C LYS A 67 -17.122 -6.883 -4.477 1.00 0.00 C ATOM 686 O LYS A 67 -18.184 -6.294 -4.278 1.00 0.00 O ATOM 687 CB LYS A 67 -15.888 -7.542 -2.400 1.00 0.00 C ATOM 688 CG LYS A 67 -15.589 -8.616 -1.366 1.00 0.00 C ATOM 689 CD LYS A 67 -16.866 -9.283 -0.882 1.00 0.00 C ATOM 690 CE LYS A 67 -16.583 -10.387 0.122 1.00 0.00 C ATOM 691 NZ LYS A 67 -17.815 -11.149 0.457 1.00 0.00 N ATOM 0 H LYS A 67 -14.935 -8.826 -4.432 1.00 0.00 H new ATOM 0 HA LYS A 67 -17.594 -8.551 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.948 -7.124 -2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.435 -6.730 -1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.925 -9.365 -1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.063 -8.174 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.516 -8.536 -0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.405 -9.697 -1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.833 -11.066 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.163 -9.955 1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.586 -11.895 1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.521 -10.505 0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.201 -11.581 -0.406 1.00 0.00 H new ATOM 705 N GLY A 68 -16.290 -6.556 -5.453 1.00 0.00 N ATOM 706 CA GLY A 68 -16.587 -5.456 -6.345 1.00 0.00 C ATOM 707 C GLY A 68 -15.886 -4.181 -5.929 1.00 0.00 C ATOM 708 O GLY A 68 -16.531 -3.157 -5.697 1.00 0.00 O ATOM 0 H GLY A 68 -15.410 -7.035 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.286 -5.720 -7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.664 -5.287 -6.366 1.00 0.00 H new ATOM 712 N GLY A 69 -14.565 -4.247 -5.823 1.00 0.00 N ATOM 713 CA GLY A 69 -13.782 -3.086 -5.453 1.00 0.00 C ATOM 714 C GLY A 69 -12.566 -2.920 -6.339 1.00 0.00 C ATOM 715 O GLY A 69 -12.161 -3.860 -7.024 1.00 0.00 O ATOM 0 H GLY A 69 -14.019 -5.092 -5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.404 -2.193 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.465 -3.178 -4.414 1.00 0.00 H new ATOM 719 N LYS A 70 -11.982 -1.729 -6.329 1.00 0.00 N ATOM 720 CA LYS A 70 -10.826 -1.438 -7.169 1.00 0.00 C ATOM 721 C LYS A 70 -9.547 -1.373 -6.342 1.00 0.00 C ATOM 722 O LYS A 70 -8.452 -1.622 -6.852 1.00 0.00 O ATOM 723 CB LYS A 70 -11.016 -0.114 -7.917 1.00 0.00 C ATOM 724 CG LYS A 70 -12.140 -0.132 -8.943 1.00 0.00 C ATOM 725 CD LYS A 70 -12.170 1.158 -9.750 1.00 0.00 C ATOM 726 CE LYS A 70 -13.249 1.127 -10.821 1.00 0.00 C ATOM 727 NZ LYS A 70 -13.185 2.320 -11.709 1.00 0.00 N ATOM 0 H LYS A 70 -12.289 -0.948 -5.749 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.737 -2.249 -7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.214 0.675 -7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.084 0.143 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.010 -0.981 -9.614 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.096 -0.270 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.345 2.001 -9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.198 1.318 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.140 0.223 -11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.229 1.079 -10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.937 2.261 -12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.314 3.182 -11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.259 2.352 -12.181 1.00 0.00 H new ATOM 741 N TYR A 71 -9.682 -1.041 -5.069 1.00 0.00 N ATOM 742 CA TYR A 71 -8.526 -0.877 -4.199 1.00 0.00 C ATOM 743 C TYR A 71 -8.708 -1.678 -2.919 1.00 0.00 C ATOM 744 O TYR A 71 -9.835 -1.918 -2.485 1.00 0.00 O ATOM 745 CB TYR A 71 -8.315 0.601 -3.855 1.00 0.00 C ATOM 746 CG TYR A 71 -8.160 1.500 -5.063 1.00 0.00 C ATOM 747 CD1 TYR A 71 -6.957 1.565 -5.756 1.00 0.00 C ATOM 748 CD2 TYR A 71 -9.215 2.288 -5.506 1.00 0.00 C ATOM 749 CE1 TYR A 71 -6.812 2.388 -6.858 1.00 0.00 C ATOM 750 CE2 TYR A 71 -9.078 3.112 -6.607 1.00 0.00 C ATOM 751 CZ TYR A 71 -7.875 3.159 -7.278 1.00 0.00 C ATOM 752 OH TYR A 71 -7.735 3.980 -8.376 1.00 0.00 O ATOM 0 H TYR A 71 -10.580 -0.879 -4.613 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.648 -1.245 -4.729 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.161 0.949 -3.262 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.427 0.694 -3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.122 0.963 -5.429 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.158 2.256 -4.981 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.871 2.427 -7.387 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.909 3.716 -6.940 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.577 4.454 -8.540 1.00 0.00 H new ATOM 762 N TYR A 72 -7.605 -2.093 -2.322 1.00 0.00 N ATOM 763 CA TYR A 72 -7.655 -2.799 -1.056 1.00 0.00 C ATOM 764 C TYR A 72 -6.676 -2.176 -0.069 1.00 0.00 C ATOM 765 O TYR A 72 -5.694 -1.543 -0.466 1.00 0.00 O ATOM 766 CB TYR A 72 -7.364 -4.299 -1.240 1.00 0.00 C ATOM 767 CG TYR A 72 -5.996 -4.615 -1.813 1.00 0.00 C ATOM 768 CD1 TYR A 72 -4.868 -4.617 -1.003 1.00 0.00 C ATOM 769 CD2 TYR A 72 -5.836 -4.919 -3.158 1.00 0.00 C ATOM 770 CE1 TYR A 72 -3.622 -4.908 -1.517 1.00 0.00 C ATOM 771 CE2 TYR A 72 -4.591 -5.213 -3.680 1.00 0.00 C ATOM 772 CZ TYR A 72 -3.488 -5.205 -2.854 1.00 0.00 C ATOM 773 OH TYR A 72 -2.244 -5.497 -3.363 1.00 0.00 O ATOM 0 H TYR A 72 -6.665 -1.953 -2.693 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.664 -2.707 -0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.461 -4.795 -0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.124 -4.725 -1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.968 -4.387 0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.699 -4.926 -3.807 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.755 -4.903 -0.873 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.483 -5.448 -4.729 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.569 -5.387 -2.661 1.00 0.00 H new ATOM 783 N HIS A 73 -6.956 -2.340 1.212 1.00 0.00 N ATOM 784 CA HIS A 73 -6.090 -1.810 2.254 1.00 0.00 C ATOM 785 C HIS A 73 -6.066 -2.744 3.454 1.00 0.00 C ATOM 786 O HIS A 73 -7.074 -2.911 4.136 1.00 0.00 O ATOM 787 CB HIS A 73 -6.565 -0.415 2.680 1.00 0.00 C ATOM 788 CG HIS A 73 -5.766 0.192 3.796 1.00 0.00 C ATOM 789 ND1 HIS A 73 -4.568 0.842 3.599 1.00 0.00 N ATOM 790 CD2 HIS A 73 -6.003 0.243 5.129 1.00 0.00 C ATOM 791 CE1 HIS A 73 -4.102 1.264 4.760 1.00 0.00 C ATOM 792 NE2 HIS A 73 -4.955 0.915 5.705 1.00 0.00 N ATOM 0 H HIS A 73 -7.777 -2.837 1.557 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.079 -1.731 1.855 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.526 0.249 1.817 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.609 -0.477 2.987 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -4.112 0.976 2.697 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.859 -0.169 5.643 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.179 1.804 4.911 1.00 0.00 H new ATOM 801 N ILE A 74 -4.917 -3.354 3.700 1.00 0.00 N ATOM 802 CA ILE A 74 -4.746 -4.217 4.859 1.00 0.00 C ATOM 803 C ILE A 74 -4.710 -3.378 6.131 1.00 0.00 C ATOM 804 O ILE A 74 -3.853 -2.508 6.284 1.00 0.00 O ATOM 805 CB ILE A 74 -3.451 -5.054 4.759 1.00 0.00 C ATOM 806 CG1 ILE A 74 -3.429 -5.852 3.452 1.00 0.00 C ATOM 807 CG2 ILE A 74 -3.331 -5.988 5.956 1.00 0.00 C ATOM 808 CD1 ILE A 74 -2.154 -6.642 3.241 1.00 0.00 C ATOM 0 H ILE A 74 -4.088 -3.267 3.112 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.593 -4.902 4.889 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.598 -4.375 4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.276 -6.537 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.563 -5.166 2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.414 -6.571 5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.305 -5.401 6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.188 -6.661 5.980 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.212 -7.181 2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.303 -5.961 3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.028 -7.354 4.057 1.00 0.00 H new ATOM 820 N ILE A 75 -5.652 -3.627 7.028 1.00 0.00 N ATOM 821 CA ILE A 75 -5.735 -2.873 8.270 1.00 0.00 C ATOM 822 C ILE A 75 -5.078 -3.636 9.414 1.00 0.00 C ATOM 823 O ILE A 75 -4.535 -3.037 10.343 1.00 0.00 O ATOM 824 CB ILE A 75 -7.197 -2.539 8.643 1.00 0.00 C ATOM 825 CG1 ILE A 75 -8.046 -3.813 8.716 1.00 0.00 C ATOM 826 CG2 ILE A 75 -7.786 -1.556 7.640 1.00 0.00 C ATOM 827 CD1 ILE A 75 -9.479 -3.570 9.142 1.00 0.00 C ATOM 0 H ILE A 75 -6.369 -4.344 6.920 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.201 -1.937 8.108 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.203 -2.074 9.629 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.044 -4.296 7.739 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.582 -4.508 9.416 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.816 -1.329 7.915 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.199 -0.637 7.643 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.765 -1.997 6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.016 -4.518 9.170 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.492 -3.116 10.133 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.962 -2.901 8.430 1.00 0.00 H new ATOM 839 N ALA A 76 -5.117 -4.960 9.338 1.00 0.00 N ATOM 840 CA ALA A 76 -4.543 -5.798 10.377 1.00 0.00 C ATOM 841 C ALA A 76 -3.948 -7.068 9.786 1.00 0.00 C ATOM 842 O ALA A 76 -4.672 -7.964 9.360 1.00 0.00 O ATOM 843 CB ALA A 76 -5.597 -6.142 11.421 1.00 0.00 C ATOM 0 H ALA A 76 -5.541 -5.475 8.566 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.740 -5.240 10.859 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.153 -6.770 12.193 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.975 -5.225 11.872 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.419 -6.678 10.946 1.00 0.00 H new ATOM 849 N ALA A 77 -2.628 -7.130 9.744 1.00 0.00 N ATOM 850 CA ALA A 77 -1.935 -8.313 9.260 1.00 0.00 C ATOM 851 C ALA A 77 -1.107 -8.914 10.383 1.00 0.00 C ATOM 852 O ALA A 77 -0.149 -8.299 10.856 1.00 0.00 O ATOM 853 CB ALA A 77 -1.056 -7.972 8.067 1.00 0.00 C ATOM 0 H ALA A 77 -2.012 -6.373 10.040 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.672 -9.046 8.932 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.547 -8.872 7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.673 -7.572 7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.317 -7.227 8.361 1.00 0.00 H new ATOM 859 N ARG A 78 -1.485 -10.100 10.826 1.00 0.00 N ATOM 860 CA ARG A 78 -0.813 -10.735 11.947 1.00 0.00 C ATOM 861 C ARG A 78 -0.536 -12.205 11.667 1.00 0.00 C ATOM 862 O ARG A 78 -1.313 -12.888 10.997 1.00 0.00 O ATOM 863 CB ARG A 78 -1.633 -10.572 13.231 1.00 0.00 C ATOM 864 CG ARG A 78 -3.089 -10.991 13.098 1.00 0.00 C ATOM 865 CD ARG A 78 -3.847 -10.764 14.397 1.00 0.00 C ATOM 866 NE ARG A 78 -3.790 -9.367 14.829 1.00 0.00 N ATOM 867 CZ ARG A 78 -3.481 -8.980 16.066 1.00 0.00 C ATOM 868 NH1 ARG A 78 -3.205 -9.884 16.999 1.00 0.00 N ATOM 869 NH2 ARG A 78 -3.440 -7.688 16.366 1.00 0.00 N ATOM 0 H ARG A 78 -2.252 -10.642 10.428 1.00 0.00 H new ATOM 0 HA ARG A 78 0.147 -10.238 12.085 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.168 -11.160 14.023 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.594 -9.529 13.544 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.561 -10.425 12.295 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.143 -12.044 12.821 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.888 -11.061 14.266 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.430 -11.402 15.176 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.000 -8.645 14.140 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.229 -10.878 16.769 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.969 -9.585 17.945 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.645 -6.991 15.650 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.203 -7.392 17.313 1.00 0.00 H new ATOM 883 N GLU A 79 0.585 -12.676 12.187 1.00 0.00 N ATOM 884 CA GLU A 79 1.031 -14.039 11.970 1.00 0.00 C ATOM 885 C GLU A 79 0.796 -14.872 13.225 1.00 0.00 C ATOM 886 O GLU A 79 1.600 -14.845 14.160 1.00 0.00 O ATOM 887 CB GLU A 79 2.515 -14.030 11.603 1.00 0.00 C ATOM 888 CG GLU A 79 3.106 -15.399 11.329 1.00 0.00 C ATOM 889 CD GLU A 79 4.608 -15.337 11.173 1.00 0.00 C ATOM 890 OE1 GLU A 79 5.083 -15.061 10.055 1.00 0.00 O ATOM 891 OE2 GLU A 79 5.321 -15.533 12.183 1.00 0.00 O ATOM 0 H GLU A 79 1.211 -12.122 12.772 1.00 0.00 H new ATOM 0 HA GLU A 79 0.463 -14.484 11.153 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.654 -13.406 10.720 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.074 -13.563 12.414 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.852 -16.075 12.145 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.663 -15.812 10.423 1.00 0.00 H new ATOM 898 N HIS A 80 -0.310 -15.597 13.251 1.00 0.00 N ATOM 899 CA HIS A 80 -0.684 -16.363 14.429 1.00 0.00 C ATOM 900 C HIS A 80 -0.235 -17.810 14.285 1.00 0.00 C ATOM 901 O HIS A 80 -0.980 -18.663 13.794 1.00 0.00 O ATOM 902 CB HIS A 80 -2.197 -16.293 14.664 1.00 0.00 C ATOM 903 CG HIS A 80 -2.624 -16.892 15.967 1.00 0.00 C ATOM 904 ND1 HIS A 80 -3.357 -18.055 16.062 1.00 0.00 N ATOM 905 CD2 HIS A 80 -2.400 -16.488 17.237 1.00 0.00 C ATOM 906 CE1 HIS A 80 -3.563 -18.337 17.335 1.00 0.00 C ATOM 907 NE2 HIS A 80 -2.991 -17.404 18.070 1.00 0.00 N ATOM 0 H HIS A 80 -0.964 -15.671 12.472 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.183 -15.928 15.294 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.515 -15.251 14.630 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.708 -16.809 13.851 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.856 -15.606 17.540 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.109 -19.189 17.711 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.988 -17.369 19.089 1.00 0.00 H new ATOM 916 N GLY A 81 1.000 -18.071 14.678 1.00 0.00 N ATOM 917 CA GLY A 81 1.526 -19.415 14.603 1.00 0.00 C ATOM 918 C GLY A 81 1.839 -19.811 13.177 1.00 0.00 C ATOM 919 O GLY A 81 2.616 -19.135 12.503 1.00 0.00 O ATOM 0 H GLY A 81 1.648 -17.376 15.048 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.430 -19.487 15.208 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.803 -20.113 15.025 1.00 0.00 H new ATOM 923 N PRO A 82 1.233 -20.900 12.686 1.00 0.00 N ATOM 924 CA PRO A 82 1.426 -21.359 11.315 1.00 0.00 C ATOM 925 C PRO A 82 0.491 -20.669 10.319 1.00 0.00 C ATOM 926 O PRO A 82 0.629 -20.850 9.107 1.00 0.00 O ATOM 927 CB PRO A 82 1.099 -22.846 11.413 1.00 0.00 C ATOM 928 CG PRO A 82 0.074 -22.940 12.494 1.00 0.00 C ATOM 929 CD PRO A 82 0.332 -21.793 13.441 1.00 0.00 C ATOM 0 HA PRO A 82 2.428 -21.140 10.945 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.714 -23.230 10.468 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.986 -23.431 11.657 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.932 -22.880 12.079 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.147 -23.895 13.014 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.593 -21.287 13.716 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.794 -22.136 14.367 1.00 0.00 H new ATOM 937 N ASN A 83 -0.455 -19.879 10.825 1.00 0.00 N ATOM 938 CA ASN A 83 -1.422 -19.206 9.962 1.00 0.00 C ATOM 939 C ASN A 83 -1.200 -17.702 9.955 1.00 0.00 C ATOM 940 O ASN A 83 -1.122 -17.069 11.008 1.00 0.00 O ATOM 941 CB ASN A 83 -2.869 -19.493 10.386 1.00 0.00 C ATOM 942 CG ASN A 83 -3.302 -20.924 10.133 1.00 0.00 C ATOM 943 OD1 ASN A 83 -2.700 -21.643 9.336 1.00 0.00 O ATOM 944 ND2 ASN A 83 -4.380 -21.339 10.782 1.00 0.00 N ATOM 0 H ASN A 83 -0.572 -19.691 11.821 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.266 -19.603 8.959 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.979 -19.271 11.448 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.537 -18.820 9.849 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.736 -22.282 10.628 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.854 -20.715 11.436 1.00 0.00 H new ATOM 951 N PHE A 84 -1.110 -17.138 8.764 1.00 0.00 N ATOM 952 CA PHE A 84 -0.992 -15.699 8.606 1.00 0.00 C ATOM 953 C PHE A 84 -2.345 -15.120 8.215 1.00 0.00 C ATOM 954 O PHE A 84 -2.941 -15.537 7.221 1.00 0.00 O ATOM 955 CB PHE A 84 0.063 -15.364 7.546 1.00 0.00 C ATOM 956 CG PHE A 84 0.277 -13.889 7.340 1.00 0.00 C ATOM 957 CD1 PHE A 84 1.017 -13.150 8.249 1.00 0.00 C ATOM 958 CD2 PHE A 84 -0.262 -13.243 6.239 1.00 0.00 C ATOM 959 CE1 PHE A 84 1.215 -11.795 8.064 1.00 0.00 C ATOM 960 CE2 PHE A 84 -0.067 -11.888 6.048 1.00 0.00 C ATOM 961 CZ PHE A 84 0.672 -11.163 6.962 1.00 0.00 C ATOM 0 H PHE A 84 -1.116 -17.658 7.887 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.675 -15.258 9.551 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.010 -15.821 7.833 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.234 -15.813 6.598 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.444 -13.639 9.112 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.841 -13.805 5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.794 -11.231 8.780 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.492 -11.397 5.185 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.825 -10.104 6.816 1.00 0.00 H new ATOM 971 N GLU A 85 -2.838 -14.176 9.006 1.00 0.00 N ATOM 972 CA GLU A 85 -4.131 -13.564 8.740 1.00 0.00 C ATOM 973 C GLU A 85 -3.968 -12.100 8.357 1.00 0.00 C ATOM 974 O GLU A 85 -3.522 -11.279 9.162 1.00 0.00 O ATOM 975 CB GLU A 85 -5.061 -13.678 9.952 1.00 0.00 C ATOM 976 CG GLU A 85 -5.353 -15.108 10.374 1.00 0.00 C ATOM 977 CD GLU A 85 -6.532 -15.202 11.319 1.00 0.00 C ATOM 978 OE1 GLU A 85 -6.401 -14.788 12.491 1.00 0.00 O ATOM 979 OE2 GLU A 85 -7.602 -15.690 10.896 1.00 0.00 O ATOM 0 H GLU A 85 -2.363 -13.819 9.835 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.580 -14.103 7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.614 -13.146 10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.002 -13.178 9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.552 -15.712 9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.470 -15.529 10.856 1.00 0.00 H new ATOM 986 N ALA A 86 -4.317 -11.791 7.122 1.00 0.00 N ATOM 987 CA ALA A 86 -4.293 -10.424 6.639 1.00 0.00 C ATOM 988 C ALA A 86 -5.715 -9.911 6.448 1.00 0.00 C ATOM 989 O ALA A 86 -6.432 -10.352 5.553 1.00 0.00 O ATOM 990 CB ALA A 86 -3.514 -10.332 5.335 1.00 0.00 C ATOM 0 H ALA A 86 -4.623 -12.475 6.430 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.793 -9.801 7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.507 -9.299 4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.490 -10.667 5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.987 -10.964 4.583 1.00 0.00 H new ATOM 996 N VAL A 87 -6.118 -8.997 7.316 1.00 0.00 N ATOM 997 CA VAL A 87 -7.447 -8.408 7.241 1.00 0.00 C ATOM 998 C VAL A 87 -7.390 -7.112 6.441 1.00 0.00 C ATOM 999 O VAL A 87 -6.714 -6.158 6.831 1.00 0.00 O ATOM 1000 CB VAL A 87 -8.009 -8.113 8.652 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -9.400 -7.497 8.566 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -8.038 -9.382 9.493 1.00 0.00 C ATOM 0 H VAL A 87 -5.543 -8.646 8.082 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.106 -9.123 6.748 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.348 -7.393 9.135 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.773 -7.299 9.571 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.350 -6.563 8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.073 -8.188 8.059 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.436 -9.154 10.482 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.672 -10.125 9.009 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.027 -9.777 9.591 1.00 0.00 H new ATOM 1012 N ALA A 88 -8.086 -7.096 5.317 1.00 0.00 N ATOM 1013 CA ALA A 88 -8.066 -5.942 4.434 1.00 0.00 C ATOM 1014 C ALA A 88 -9.478 -5.458 4.128 1.00 0.00 C ATOM 1015 O ALA A 88 -10.437 -6.225 4.170 1.00 0.00 O ATOM 1016 CB ALA A 88 -7.339 -6.289 3.144 1.00 0.00 C ATOM 0 H ALA A 88 -8.671 -7.867 4.995 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.536 -5.135 4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.328 -5.419 2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.315 -6.585 3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.852 -7.112 2.647 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.585 -4.179 3.815 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.855 -3.581 3.437 1.00 0.00 C ATOM 1024 C GLU A 89 -10.920 -3.420 1.926 1.00 0.00 C ATOM 1025 O GLU A 89 -9.912 -3.110 1.286 1.00 0.00 O ATOM 1026 CB GLU A 89 -11.019 -2.215 4.105 1.00 0.00 C ATOM 1027 CG GLU A 89 -11.254 -2.274 5.603 1.00 0.00 C ATOM 1028 CD GLU A 89 -12.654 -2.735 5.946 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -13.619 -2.119 5.451 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -12.796 -3.701 6.718 1.00 0.00 O ATOM 0 H GLU A 89 -8.800 -3.528 3.815 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.661 -4.236 3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.126 -1.621 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.855 -1.694 3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.530 -2.951 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.082 -1.288 6.035 1.00 0.00 H new ATOM 1037 N VAL A 90 -12.096 -3.644 1.365 1.00 0.00 N ATOM 1038 CA VAL A 90 -12.300 -3.501 -0.069 1.00 0.00 C ATOM 1039 C VAL A 90 -12.910 -2.140 -0.371 1.00 0.00 C ATOM 1040 O VAL A 90 -14.004 -1.823 0.104 1.00 0.00 O ATOM 1041 CB VAL A 90 -13.224 -4.607 -0.623 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -13.380 -4.480 -2.131 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -12.695 -5.982 -0.254 1.00 0.00 C ATOM 0 H VAL A 90 -12.928 -3.927 1.882 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.328 -3.591 -0.553 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.207 -4.484 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -14.035 -5.270 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.813 -3.509 -2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.403 -4.569 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.360 -6.747 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.698 -6.113 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.647 -6.074 0.831 1.00 0.00 H new ATOM 1053 N TYR A 91 -12.206 -1.340 -1.154 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.672 -0.006 -1.490 1.00 0.00 C ATOM 1055 C TYR A 91 -12.893 0.134 -2.989 1.00 0.00 C ATOM 1056 O TYR A 91 -12.197 -0.483 -3.798 1.00 0.00 O ATOM 1057 CB TYR A 91 -11.674 1.055 -1.017 1.00 0.00 C ATOM 1058 CG TYR A 91 -11.480 1.090 0.483 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -12.487 1.550 1.322 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -10.290 0.667 1.059 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -12.313 1.587 2.691 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -10.111 0.700 2.427 1.00 0.00 C ATOM 1063 CZ TYR A 91 -11.123 1.162 3.239 1.00 0.00 C ATOM 1064 OH TYR A 91 -10.946 1.195 4.604 1.00 0.00 O ATOM 0 H TYR A 91 -11.309 -1.592 -1.569 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.622 0.148 -0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -10.711 0.872 -1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.014 2.035 -1.352 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -13.422 1.884 0.896 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.492 0.307 0.427 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.106 1.947 3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.180 0.365 2.860 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.052 0.860 4.826 1.00 0.00 H new ATOM 1074 N ASN A 92 -13.869 0.943 -3.349 1.00 0.00 N ATOM 1075 CA ASN A 92 -14.152 1.238 -4.741 1.00 0.00 C ATOM 1076 C ASN A 92 -14.311 2.747 -4.893 1.00 0.00 C ATOM 1077 O ASN A 92 -14.180 3.488 -3.918 1.00 0.00 O ATOM 1078 CB ASN A 92 -15.423 0.500 -5.200 1.00 0.00 C ATOM 1079 CG ASN A 92 -15.484 0.262 -6.706 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -14.953 1.035 -7.505 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -16.128 -0.821 -7.106 1.00 0.00 N ATOM 0 H ASN A 92 -14.487 1.414 -2.688 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.330 0.895 -5.369 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.480 -0.460 -4.687 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.297 1.077 -4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.196 -1.036 -8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.557 -1.442 -6.420 1.00 0.00 H new ATOM 1088 N ASP A 93 -14.585 3.197 -6.099 1.00 0.00 N ATOM 1089 CA ASP A 93 -14.734 4.615 -6.374 1.00 0.00 C ATOM 1090 C ASP A 93 -16.196 5.035 -6.205 1.00 0.00 C ATOM 1091 O ASP A 93 -17.074 4.188 -6.028 1.00 0.00 O ATOM 1092 CB ASP A 93 -14.225 4.910 -7.790 1.00 0.00 C ATOM 1093 CG ASP A 93 -14.313 6.373 -8.166 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -13.956 7.227 -7.335 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -14.766 6.674 -9.290 1.00 0.00 O ATOM 0 H ASP A 93 -14.711 2.596 -6.914 1.00 0.00 H new ATOM 0 HA ASP A 93 -14.142 5.194 -5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.188 4.583 -7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -14.801 4.323 -8.505 1.00 0.00 H new ATOM 1100 N ALA A 94 -16.455 6.337 -6.275 1.00 0.00 N ATOM 1101 CA ALA A 94 -17.795 6.880 -6.070 1.00 0.00 C ATOM 1102 C ALA A 94 -18.737 6.556 -7.235 1.00 0.00 C ATOM 1103 O ALA A 94 -19.864 7.053 -7.286 1.00 0.00 O ATOM 1104 CB ALA A 94 -17.721 8.385 -5.851 1.00 0.00 C ATOM 0 H ALA A 94 -15.746 7.043 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 94 -18.208 6.404 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -18.725 8.780 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -17.111 8.595 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -17.273 8.858 -6.725 1.00 0.00 H new ATOM 1290 N ALA B 22 8.712 -0.378 -7.908 1.00 0.00 N ATOM 1291 CA ALA B 22 8.622 -0.449 -6.433 1.00 0.00 C ATOM 1292 C ALA B 22 7.166 -0.401 -5.999 1.00 0.00 C ATOM 1293 O ALA B 22 6.417 0.472 -6.431 1.00 0.00 O ATOM 1294 CB ALA B 22 9.406 0.688 -5.799 1.00 0.00 C ATOM 0 HA ALA B 22 9.056 -1.391 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA B 22 9.330 0.622 -4.714 1.00 0.00 H new ATOM 0 HB2 ALA B 22 10.453 0.617 -6.094 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.998 1.642 -6.134 1.00 0.00 H new ATOM 1302 N GLU B 23 6.767 -1.340 -5.154 1.00 0.00 N ATOM 1303 CA GLU B 23 5.376 -1.433 -4.725 1.00 0.00 C ATOM 1304 C GLU B 23 5.202 -0.890 -3.311 1.00 0.00 C ATOM 1305 O GLU B 23 6.180 -0.612 -2.616 1.00 0.00 O ATOM 1306 CB GLU B 23 4.878 -2.881 -4.808 1.00 0.00 C ATOM 1307 CG GLU B 23 4.467 -3.322 -6.210 1.00 0.00 C ATOM 1308 CD GLU B 23 5.594 -3.246 -7.225 1.00 0.00 C ATOM 1309 OE1 GLU B 23 6.413 -4.183 -7.284 1.00 0.00 O ATOM 1310 OE2 GLU B 23 5.662 -2.248 -7.974 1.00 0.00 O ATOM 0 H GLU B 23 7.383 -2.047 -4.752 1.00 0.00 H new ATOM 0 HA GLU B 23 4.776 -0.822 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU B 23 5.663 -3.545 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU B 23 4.027 -3.000 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU B 23 4.097 -4.346 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU B 23 3.640 -2.699 -6.550 1.00 0.00 H new ATOM 1317 N GLN B 24 3.955 -0.740 -2.889 1.00 0.00 N ATOM 1318 CA GLN B 24 3.652 -0.171 -1.583 1.00 0.00 C ATOM 1319 C GLN B 24 3.527 -1.262 -0.527 1.00 0.00 C ATOM 1320 O GLN B 24 2.990 -2.336 -0.794 1.00 0.00 O ATOM 1321 CB GLN B 24 2.351 0.632 -1.637 1.00 0.00 C ATOM 1322 CG GLN B 24 2.054 1.389 -0.352 1.00 0.00 C ATOM 1323 CD GLN B 24 0.661 1.980 -0.325 1.00 0.00 C ATOM 1324 OE1 GLN B 24 -0.281 1.348 0.147 1.00 0.00 O ATOM 1325 NE2 GLN B 24 0.526 3.194 -0.835 1.00 0.00 N ATOM 0 H GLN B 24 3.134 -1.005 -3.433 1.00 0.00 H new ATOM 0 HA GLN B 24 4.475 0.490 -1.312 1.00 0.00 H new ATOM 0 HB2 GLN B 24 2.404 1.341 -2.463 1.00 0.00 H new ATOM 0 HB3 GLN B 24 1.524 -0.045 -1.851 1.00 0.00 H new ATOM 0 HG2 GLN B 24 2.174 0.715 0.497 1.00 0.00 H new ATOM 0 HG3 GLN B 24 2.785 2.188 -0.230 1.00 0.00 H new ATOM 0 HE21 GLN B 24 1.338 3.680 -1.216 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -0.390 3.643 -0.847 1.00 0.00 H new ATOM 1334 N VAL B 25 4.037 -0.979 0.664 1.00 0.00 N ATOM 1335 CA VAL B 25 3.881 -1.873 1.804 1.00 0.00 C ATOM 1336 C VAL B 25 3.422 -1.092 3.030 1.00 0.00 C ATOM 1337 O VAL B 25 3.782 0.079 3.208 1.00 0.00 O ATOM 1338 CB VAL B 25 5.189 -2.623 2.146 1.00 0.00 C ATOM 1339 CG1 VAL B 25 5.528 -3.639 1.067 1.00 0.00 C ATOM 1340 CG2 VAL B 25 6.340 -1.643 2.339 1.00 0.00 C ATOM 0 H VAL B 25 4.566 -0.131 0.867 1.00 0.00 H new ATOM 0 HA VAL B 25 3.130 -2.611 1.524 1.00 0.00 H new ATOM 0 HB VAL B 25 5.035 -3.159 3.083 1.00 0.00 H new ATOM 0 HG11 VAL B 25 6.452 -4.154 1.330 1.00 0.00 H new ATOM 0 HG12 VAL B 25 4.719 -4.365 0.984 1.00 0.00 H new ATOM 0 HG13 VAL B 25 5.656 -3.128 0.113 1.00 0.00 H new ATOM 0 HG21 VAL B 25 7.250 -2.193 2.579 1.00 0.00 H new ATOM 0 HG22 VAL B 25 6.491 -1.074 1.422 1.00 0.00 H new ATOM 0 HG23 VAL B 25 6.103 -0.960 3.155 1.00 0.00 H new ATOM 1350 N SER B 26 2.618 -1.726 3.862 1.00 0.00 N ATOM 1351 CA SER B 26 2.150 -1.108 5.085 1.00 0.00 C ATOM 1352 C SER B 26 3.077 -1.476 6.242 1.00 0.00 C ATOM 1353 O SER B 26 3.995 -2.288 6.089 1.00 0.00 O ATOM 1354 CB SER B 26 0.708 -1.533 5.383 1.00 0.00 C ATOM 1355 OG SER B 26 0.158 -0.776 6.452 1.00 0.00 O ATOM 0 H SER B 26 2.274 -2.674 3.711 1.00 0.00 H new ATOM 0 HA SER B 26 2.162 -0.025 4.962 1.00 0.00 H new ATOM 0 HB2 SER B 26 0.096 -1.403 4.490 1.00 0.00 H new ATOM 0 HB3 SER B 26 0.684 -2.593 5.635 1.00 0.00 H new ATOM 0 HG SER B 26 0.218 -1.292 7.283 1.00 0.00 H new ATOM 1361 N LYS B 27 2.822 -0.882 7.400 1.00 0.00 N ATOM 1362 CA LYS B 27 3.696 -1.024 8.557 1.00 0.00 C ATOM 1363 C LYS B 27 3.718 -2.468 9.054 1.00 0.00 C ATOM 1364 O LYS B 27 4.690 -2.907 9.674 1.00 0.00 O ATOM 1365 CB LYS B 27 3.231 -0.078 9.665 1.00 0.00 C ATOM 1366 CG LYS B 27 4.237 0.114 10.787 1.00 0.00 C ATOM 1367 CD LYS B 27 3.809 1.241 11.709 1.00 0.00 C ATOM 1368 CE LYS B 27 4.871 1.560 12.747 1.00 0.00 C ATOM 1369 NZ LYS B 27 4.544 2.800 13.498 1.00 0.00 N ATOM 0 H LYS B 27 2.007 -0.291 7.564 1.00 0.00 H new ATOM 0 HA LYS B 27 4.713 -0.762 8.265 1.00 0.00 H new ATOM 0 HB2 LYS B 27 3.005 0.894 9.226 1.00 0.00 H new ATOM 0 HB3 LYS B 27 2.302 -0.461 10.087 1.00 0.00 H new ATOM 0 HG2 LYS B 27 4.334 -0.810 11.356 1.00 0.00 H new ATOM 0 HG3 LYS B 27 5.219 0.334 10.367 1.00 0.00 H new ATOM 0 HD2 LYS B 27 3.599 2.133 11.119 1.00 0.00 H new ATOM 0 HD3 LYS B 27 2.882 0.966 12.211 1.00 0.00 H new ATOM 0 HE2 LYS B 27 4.963 0.726 13.443 1.00 0.00 H new ATOM 0 HE3 LYS B 27 5.838 1.675 12.257 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 5.289 2.989 14.198 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 4.480 3.600 12.836 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 3.633 2.681 13.986 1.00 0.00 H new ATOM 1383 N GLN B 28 2.653 -3.202 8.759 1.00 0.00 N ATOM 1384 CA GLN B 28 2.553 -4.598 9.155 1.00 0.00 C ATOM 1385 C GLN B 28 3.573 -5.437 8.392 1.00 0.00 C ATOM 1386 O GLN B 28 4.225 -6.311 8.962 1.00 0.00 O ATOM 1387 CB GLN B 28 1.145 -5.152 8.899 1.00 0.00 C ATOM 1388 CG GLN B 28 0.019 -4.368 9.561 1.00 0.00 C ATOM 1389 CD GLN B 28 -0.448 -3.183 8.732 1.00 0.00 C ATOM 1390 OE1 GLN B 28 0.048 -2.066 8.878 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -1.402 -3.425 7.845 1.00 0.00 N ATOM 0 H GLN B 28 1.845 -2.851 8.245 1.00 0.00 H new ATOM 0 HA GLN B 28 2.758 -4.653 10.224 1.00 0.00 H new ATOM 0 HB2 GLN B 28 0.969 -5.175 7.824 1.00 0.00 H new ATOM 0 HB3 GLN B 28 1.106 -6.183 9.251 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -0.825 -5.035 9.739 1.00 0.00 H new ATOM 0 HG3 GLN B 28 0.355 -4.013 10.535 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -1.788 -4.365 7.754 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -1.751 -2.671 7.253 1.00 0.00 H new ATOM 1400 N GLU B 29 3.721 -5.151 7.105 1.00 0.00 N ATOM 1401 CA GLU B 29 4.628 -5.907 6.257 1.00 0.00 C ATOM 1402 C GLU B 29 6.072 -5.549 6.577 1.00 0.00 C ATOM 1403 O GLU B 29 6.944 -6.421 6.621 1.00 0.00 O ATOM 1404 CB GLU B 29 4.338 -5.654 4.773 1.00 0.00 C ATOM 1405 CG GLU B 29 2.909 -5.980 4.352 1.00 0.00 C ATOM 1406 CD GLU B 29 1.955 -4.813 4.538 1.00 0.00 C ATOM 1407 OE1 GLU B 29 1.540 -4.548 5.688 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.636 -4.144 3.534 1.00 0.00 O ATOM 0 H GLU B 29 3.223 -4.400 6.627 1.00 0.00 H new ATOM 0 HA GLU B 29 4.472 -6.967 6.458 1.00 0.00 H new ATOM 0 HB2 GLU B 29 4.542 -4.607 4.548 1.00 0.00 H new ATOM 0 HB3 GLU B 29 5.027 -6.249 4.173 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.905 -6.282 3.305 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.551 -6.831 4.931 1.00 0.00 H new ATOM 1415 N ILE B 30 6.311 -4.265 6.819 1.00 0.00 N ATOM 1416 CA ILE B 30 7.643 -3.778 7.165 1.00 0.00 C ATOM 1417 C ILE B 30 8.176 -4.492 8.403 1.00 0.00 C ATOM 1418 O ILE B 30 9.322 -4.941 8.429 1.00 0.00 O ATOM 1419 CB ILE B 30 7.639 -2.256 7.428 1.00 0.00 C ATOM 1420 CG1 ILE B 30 7.114 -1.503 6.205 1.00 0.00 C ATOM 1421 CG2 ILE B 30 9.039 -1.771 7.790 1.00 0.00 C ATOM 1422 CD1 ILE B 30 6.990 -0.011 6.419 1.00 0.00 C ATOM 0 H ILE B 30 5.596 -3.538 6.782 1.00 0.00 H new ATOM 0 HA ILE B 30 8.290 -3.988 6.313 1.00 0.00 H new ATOM 0 HB ILE B 30 6.976 -2.055 8.270 1.00 0.00 H new ATOM 0 HG12 ILE B 30 7.781 -1.686 5.362 1.00 0.00 H new ATOM 0 HG13 ILE B 30 6.138 -1.905 5.933 1.00 0.00 H new ATOM 0 HG21 ILE B 30 9.016 -0.696 7.972 1.00 0.00 H new ATOM 0 HG22 ILE B 30 9.381 -2.284 8.689 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.722 -1.986 6.968 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.612 0.457 5.510 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.300 0.183 7.241 1.00 0.00 H new ATOM 0 HD13 ILE B 30 7.968 0.404 6.661 1.00 0.00 H new ATOM 1434 N SER B 31 7.328 -4.618 9.413 1.00 0.00 N ATOM 1435 CA SER B 31 7.727 -5.232 10.670 1.00 0.00 C ATOM 1436 C SER B 31 7.724 -6.757 10.570 1.00 0.00 C ATOM 1437 O SER B 31 8.419 -7.437 11.321 1.00 0.00 O ATOM 1438 CB SER B 31 6.803 -4.762 11.793 1.00 0.00 C ATOM 1439 OG SER B 31 5.440 -4.873 11.411 1.00 0.00 O ATOM 0 H SER B 31 6.358 -4.303 9.386 1.00 0.00 H new ATOM 0 HA SER B 31 8.747 -4.921 10.896 1.00 0.00 H new ATOM 0 HB2 SER B 31 6.983 -5.356 12.689 1.00 0.00 H new ATOM 0 HB3 SER B 31 7.030 -3.726 12.046 1.00 0.00 H new ATOM 0 HG SER B 31 5.175 -4.074 10.908 1.00 0.00 H new ATOM 1445 N HIS B 32 6.946 -7.292 9.635 1.00 0.00 N ATOM 1446 CA HIS B 32 6.871 -8.737 9.451 1.00 0.00 C ATOM 1447 C HIS B 32 8.122 -9.259 8.750 1.00 0.00 C ATOM 1448 O HIS B 32 8.686 -10.275 9.148 1.00 0.00 O ATOM 1449 CB HIS B 32 5.620 -9.120 8.649 1.00 0.00 C ATOM 1450 CG HIS B 32 5.421 -10.603 8.512 1.00 0.00 C ATOM 1451 ND1 HIS B 32 5.318 -11.244 7.293 1.00 0.00 N ATOM 1452 CD2 HIS B 32 5.288 -11.569 9.452 1.00 0.00 C ATOM 1453 CE1 HIS B 32 5.134 -12.537 7.494 1.00 0.00 C ATOM 1454 NE2 HIS B 32 5.112 -12.759 8.793 1.00 0.00 N ATOM 0 H HIS B 32 6.362 -6.751 8.997 1.00 0.00 H new ATOM 0 HA HIS B 32 6.807 -9.197 10.437 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.743 -8.688 9.132 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.687 -8.678 7.655 1.00 0.00 H new ATOM 0 HD2 HIS B 32 5.315 -11.428 10.522 1.00 0.00 H new ATOM 0 HE1 HIS B 32 5.021 -13.286 6.724 1.00 0.00 H new ATOM 0 HE2 HIS B 32 4.985 -13.669 9.237 1.00 0.00 H new ATOM 1463 N PHE B 33 8.556 -8.559 7.712 1.00 0.00 N ATOM 1464 CA PHE B 33 9.701 -9.005 6.926 1.00 0.00 C ATOM 1465 C PHE B 33 10.989 -8.330 7.384 1.00 0.00 C ATOM 1466 O PHE B 33 12.076 -8.702 6.941 1.00 0.00 O ATOM 1467 CB PHE B 33 9.471 -8.728 5.438 1.00 0.00 C ATOM 1468 CG PHE B 33 8.303 -9.475 4.854 1.00 0.00 C ATOM 1469 CD1 PHE B 33 8.399 -10.831 4.580 1.00 0.00 C ATOM 1470 CD2 PHE B 33 7.114 -8.822 4.576 1.00 0.00 C ATOM 1471 CE1 PHE B 33 7.329 -11.520 4.041 1.00 0.00 C ATOM 1472 CE2 PHE B 33 6.041 -9.505 4.039 1.00 0.00 C ATOM 1473 CZ PHE B 33 6.148 -10.856 3.771 1.00 0.00 C ATOM 0 H PHE B 33 8.137 -7.685 7.394 1.00 0.00 H new ATOM 0 HA PHE B 33 9.805 -10.079 7.079 1.00 0.00 H new ATOM 0 HB2 PHE B 33 9.313 -7.659 5.297 1.00 0.00 H new ATOM 0 HB3 PHE B 33 10.372 -8.993 4.885 1.00 0.00 H new ATOM 0 HD1 PHE B 33 9.320 -11.354 4.790 1.00 0.00 H new ATOM 0 HD2 PHE B 33 7.025 -7.766 4.782 1.00 0.00 H new ATOM 0 HE1 PHE B 33 7.416 -12.576 3.831 1.00 0.00 H new ATOM 0 HE2 PHE B 33 5.119 -8.984 3.829 1.00 0.00 H new ATOM 0 HZ PHE B 33 5.310 -11.392 3.351 1.00 0.00 H new ATOM 1483 N LYS B 34 10.858 -7.354 8.284 1.00 0.00 N ATOM 1484 CA LYS B 34 11.994 -6.558 8.750 1.00 0.00 C ATOM 1485 C LYS B 34 12.685 -5.885 7.572 1.00 0.00 C ATOM 1486 O LYS B 34 13.803 -6.243 7.196 1.00 0.00 O ATOM 1487 CB LYS B 34 13.002 -7.398 9.551 1.00 0.00 C ATOM 1488 CG LYS B 34 12.558 -7.722 10.973 1.00 0.00 C ATOM 1489 CD LYS B 34 11.448 -8.760 11.015 1.00 0.00 C ATOM 1490 CE LYS B 34 11.922 -10.104 10.488 1.00 0.00 C ATOM 1491 NZ LYS B 34 10.870 -11.149 10.606 1.00 0.00 N ATOM 0 H LYS B 34 9.967 -7.094 8.708 1.00 0.00 H new ATOM 0 HA LYS B 34 11.602 -5.795 9.422 1.00 0.00 H new ATOM 0 HB2 LYS B 34 13.184 -8.331 9.018 1.00 0.00 H new ATOM 0 HB3 LYS B 34 13.951 -6.864 9.592 1.00 0.00 H new ATOM 0 HG2 LYS B 34 13.413 -8.086 11.543 1.00 0.00 H new ATOM 0 HG3 LYS B 34 12.216 -6.809 11.460 1.00 0.00 H new ATOM 0 HD2 LYS B 34 11.094 -8.874 12.040 1.00 0.00 H new ATOM 0 HD3 LYS B 34 10.602 -8.413 10.422 1.00 0.00 H new ATOM 0 HE2 LYS B 34 12.216 -10.001 9.443 1.00 0.00 H new ATOM 0 HE3 LYS B 34 12.809 -10.418 11.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 11.264 -12.071 10.331 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 10.535 -11.195 11.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 10.074 -10.913 9.980 1.00 0.00 H new ATOM 1505 N LEU B 35 11.995 -4.923 6.982 1.00 0.00 N ATOM 1506 CA LEU B 35 12.489 -4.249 5.794 1.00 0.00 C ATOM 1507 C LEU B 35 13.569 -3.232 6.139 1.00 0.00 C ATOM 1508 O LEU B 35 13.464 -2.497 7.123 1.00 0.00 O ATOM 1509 CB LEU B 35 11.340 -3.570 5.048 1.00 0.00 C ATOM 1510 CG LEU B 35 10.281 -4.521 4.483 1.00 0.00 C ATOM 1511 CD1 LEU B 35 9.185 -3.741 3.776 1.00 0.00 C ATOM 1512 CD2 LEU B 35 10.920 -5.526 3.535 1.00 0.00 C ATOM 0 H LEU B 35 11.088 -4.591 7.308 1.00 0.00 H new ATOM 0 HA LEU B 35 12.935 -5.004 5.146 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.852 -2.869 5.725 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.755 -2.985 4.228 1.00 0.00 H new ATOM 0 HG LEU B 35 9.831 -5.067 5.312 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.442 -4.434 3.381 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.708 -3.061 4.483 1.00 0.00 H new ATOM 0 HD13 LEU B 35 9.618 -3.167 2.956 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.153 -6.194 3.143 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.396 -4.996 2.710 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.668 -6.108 4.073 1.00 0.00 H new ATOM 1524 N VAL B 36 14.602 -3.205 5.314 1.00 0.00 N ATOM 1525 CA VAL B 36 15.716 -2.288 5.483 1.00 0.00 C ATOM 1526 C VAL B 36 15.453 -1.015 4.688 1.00 0.00 C ATOM 1527 O VAL B 36 15.209 -1.071 3.481 1.00 0.00 O ATOM 1528 CB VAL B 36 17.036 -2.938 5.006 1.00 0.00 C ATOM 1529 CG1 VAL B 36 18.205 -1.975 5.132 1.00 0.00 C ATOM 1530 CG2 VAL B 36 17.308 -4.216 5.786 1.00 0.00 C ATOM 0 H VAL B 36 14.692 -3.821 4.506 1.00 0.00 H new ATOM 0 HA VAL B 36 15.812 -2.046 6.542 1.00 0.00 H new ATOM 0 HB VAL B 36 16.926 -3.188 3.951 1.00 0.00 H new ATOM 0 HG11 VAL B 36 19.117 -2.463 4.789 1.00 0.00 H new ATOM 0 HG12 VAL B 36 18.015 -1.091 4.523 1.00 0.00 H new ATOM 0 HG13 VAL B 36 18.322 -1.679 6.175 1.00 0.00 H new ATOM 0 HG21 VAL B 36 18.240 -4.662 5.439 1.00 0.00 H new ATOM 0 HG22 VAL B 36 17.390 -3.984 6.848 1.00 0.00 H new ATOM 0 HG23 VAL B 36 16.489 -4.919 5.630 1.00 0.00 H new ATOM 1540 N LYS B 37 15.488 0.126 5.357 1.00 0.00 N ATOM 1541 CA LYS B 37 15.168 1.386 4.705 1.00 0.00 C ATOM 1542 C LYS B 37 16.349 1.891 3.884 1.00 0.00 C ATOM 1543 O LYS B 37 17.491 1.897 4.345 1.00 0.00 O ATOM 1544 CB LYS B 37 14.735 2.437 5.730 1.00 0.00 C ATOM 1545 CG LYS B 37 14.283 3.744 5.096 1.00 0.00 C ATOM 1546 CD LYS B 37 13.488 4.602 6.065 1.00 0.00 C ATOM 1547 CE LYS B 37 14.334 5.102 7.224 1.00 0.00 C ATOM 1548 NZ LYS B 37 13.531 5.935 8.158 1.00 0.00 N ATOM 0 H LYS B 37 15.733 0.206 6.344 1.00 0.00 H new ATOM 0 HA LYS B 37 14.334 1.208 4.026 1.00 0.00 H new ATOM 0 HB2 LYS B 37 13.922 2.033 6.333 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.565 2.638 6.407 1.00 0.00 H new ATOM 0 HG2 LYS B 37 15.155 4.300 4.751 1.00 0.00 H new ATOM 0 HG3 LYS B 37 13.674 3.529 4.218 1.00 0.00 H new ATOM 0 HD2 LYS B 37 13.068 5.454 5.531 1.00 0.00 H new ATOM 0 HD3 LYS B 37 12.649 4.024 6.454 1.00 0.00 H new ATOM 0 HE2 LYS B 37 14.756 4.253 7.762 1.00 0.00 H new ATOM 0 HE3 LYS B 37 15.171 5.685 6.841 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 14.150 6.317 8.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 13.093 6.720 7.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 12.788 5.351 8.592 1.00 0.00 H new ATOM 1562 N VAL B 38 16.062 2.298 2.658 1.00 0.00 N ATOM 1563 CA VAL B 38 17.080 2.825 1.765 1.00 0.00 C ATOM 1564 C VAL B 38 17.199 4.336 1.936 1.00 0.00 C ATOM 1565 O VAL B 38 18.298 4.896 1.921 1.00 0.00 O ATOM 1566 CB VAL B 38 16.759 2.495 0.290 1.00 0.00 C ATOM 1567 CG1 VAL B 38 17.868 2.981 -0.631 1.00 0.00 C ATOM 1568 CG2 VAL B 38 16.532 1.001 0.113 1.00 0.00 C ATOM 0 H VAL B 38 15.125 2.273 2.257 1.00 0.00 H new ATOM 0 HA VAL B 38 18.027 2.352 2.025 1.00 0.00 H new ATOM 0 HB VAL B 38 15.842 3.018 0.019 1.00 0.00 H new ATOM 0 HG11 VAL B 38 17.617 2.736 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL B 38 17.977 4.061 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL B 38 18.805 2.495 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL B 38 16.307 0.788 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.430 0.459 0.409 1.00 0.00 H new ATOM 0 HG23 VAL B 38 15.696 0.684 0.736 1.00 0.00 H new ATOM 1578 N GLY B 39 16.057 4.986 2.114 1.00 0.00 N ATOM 1579 CA GLY B 39 16.034 6.422 2.279 1.00 0.00 C ATOM 1580 C GLY B 39 14.621 6.961 2.317 1.00 0.00 C ATOM 1581 O GLY B 39 13.661 6.194 2.255 1.00 0.00 O ATOM 0 H GLY B 39 15.141 4.539 2.147 1.00 0.00 H new ATOM 0 HA2 GLY B 39 16.550 6.690 3.201 1.00 0.00 H new ATOM 0 HA3 GLY B 39 16.580 6.891 1.460 1.00 0.00 H new ATOM 1585 N THR B 40 14.494 8.272 2.415 1.00 0.00 N ATOM 1586 CA THR B 40 13.192 8.915 2.460 1.00 0.00 C ATOM 1587 C THR B 40 13.012 9.816 1.239 1.00 0.00 C ATOM 1588 O THR B 40 13.893 10.617 0.920 1.00 0.00 O ATOM 1589 CB THR B 40 13.045 9.747 3.750 1.00 0.00 C ATOM 1590 OG1 THR B 40 13.398 8.944 4.891 1.00 0.00 O ATOM 1591 CG2 THR B 40 11.626 10.273 3.912 1.00 0.00 C ATOM 0 H THR B 40 15.283 8.917 2.465 1.00 0.00 H new ATOM 0 HA THR B 40 12.423 8.142 2.453 1.00 0.00 H new ATOM 0 HB THR B 40 13.718 10.602 3.679 1.00 0.00 H new ATOM 0 HG1 THR B 40 12.589 8.543 5.272 1.00 0.00 H new ATOM 0 HG21 THR B 40 11.556 10.855 4.831 1.00 0.00 H new ATOM 0 HG22 THR B 40 11.373 10.906 3.061 1.00 0.00 H new ATOM 0 HG23 THR B 40 10.931 9.435 3.960 1.00 0.00 H new ATOM 1599 N ILE B 41 11.889 9.676 0.550 1.00 0.00 N ATOM 1600 CA ILE B 41 11.627 10.460 -0.650 1.00 0.00 C ATOM 1601 C ILE B 41 10.475 11.431 -0.422 1.00 0.00 C ATOM 1602 O ILE B 41 9.536 11.139 0.324 1.00 0.00 O ATOM 1603 CB ILE B 41 11.313 9.562 -1.870 1.00 0.00 C ATOM 1604 CG1 ILE B 41 10.145 8.615 -1.562 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.553 8.779 -2.278 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.735 7.743 -2.730 1.00 0.00 C ATOM 0 H ILE B 41 11.144 9.027 0.801 1.00 0.00 H new ATOM 0 HA ILE B 41 12.536 11.022 -0.865 1.00 0.00 H new ATOM 0 HB ILE B 41 11.016 10.199 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.421 7.975 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE B 41 9.286 9.206 -1.244 1.00 0.00 H new ATOM 0 HG21 ILE B 41 12.320 8.151 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE B 41 13.351 9.473 -2.542 1.00 0.00 H new ATOM 0 HG23 ILE B 41 12.877 8.152 -1.447 1.00 0.00 H new ATOM 0 HD11 ILE B 41 8.905 7.103 -2.432 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.426 8.373 -3.564 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.579 7.124 -3.036 1.00 0.00 H new ATOM 1618 N ASN B 42 10.556 12.592 -1.053 1.00 0.00 N ATOM 1619 CA ASN B 42 9.538 13.620 -0.888 1.00 0.00 C ATOM 1620 C ASN B 42 8.933 13.997 -2.232 1.00 0.00 C ATOM 1621 O ASN B 42 9.615 14.544 -3.099 1.00 0.00 O ATOM 1622 CB ASN B 42 10.127 14.874 -0.233 1.00 0.00 C ATOM 1623 CG ASN B 42 10.776 14.607 1.113 1.00 0.00 C ATOM 1624 OD1 ASN B 42 11.970 14.314 1.189 1.00 0.00 O ATOM 1625 ND2 ASN B 42 10.003 14.718 2.182 1.00 0.00 N ATOM 0 H ASN B 42 11.316 12.847 -1.684 1.00 0.00 H new ATOM 0 HA ASN B 42 8.760 13.212 -0.242 1.00 0.00 H new ATOM 0 HB2 ASN B 42 10.867 15.311 -0.904 1.00 0.00 H new ATOM 0 HB3 ASN B 42 9.336 15.613 -0.106 1.00 0.00 H new ATOM 0 HD21 ASN B 42 10.392 14.559 3.111 1.00 0.00 H new ATOM 0 HD22 ASN B 42 9.018 14.963 2.076 1.00 0.00 H new ATOM 1632 N VAL B 43 7.655 13.699 -2.402 1.00 0.00 N ATOM 1633 CA VAL B 43 6.935 14.097 -3.600 1.00 0.00 C ATOM 1634 C VAL B 43 6.074 15.320 -3.304 1.00 0.00 C ATOM 1635 O VAL B 43 5.032 15.220 -2.664 1.00 0.00 O ATOM 1636 CB VAL B 43 6.034 12.959 -4.136 1.00 0.00 C ATOM 1637 CG1 VAL B 43 5.248 13.415 -5.359 1.00 0.00 C ATOM 1638 CG2 VAL B 43 6.864 11.729 -4.471 1.00 0.00 C ATOM 0 H VAL B 43 7.095 13.182 -1.724 1.00 0.00 H new ATOM 0 HA VAL B 43 7.676 14.333 -4.364 1.00 0.00 H new ATOM 0 HB VAL B 43 5.324 12.697 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL B 43 4.623 12.596 -5.716 1.00 0.00 H new ATOM 0 HG12 VAL B 43 4.618 14.263 -5.091 1.00 0.00 H new ATOM 0 HG13 VAL B 43 5.941 13.712 -6.146 1.00 0.00 H new ATOM 0 HG21 VAL B 43 6.211 10.941 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL B 43 7.601 11.984 -5.233 1.00 0.00 H new ATOM 0 HG23 VAL B 43 7.376 11.380 -3.574 1.00 0.00 H new ATOM 1648 N SER B 44 6.535 16.476 -3.743 1.00 0.00 N ATOM 1649 CA SER B 44 5.795 17.711 -3.556 1.00 0.00 C ATOM 1650 C SER B 44 5.416 18.285 -4.912 1.00 0.00 C ATOM 1651 O SER B 44 6.266 18.769 -5.655 1.00 0.00 O ATOM 1652 CB SER B 44 6.628 18.710 -2.753 1.00 0.00 C ATOM 1653 OG SER B 44 7.009 18.159 -1.502 1.00 0.00 O ATOM 0 H SER B 44 7.422 16.586 -4.234 1.00 0.00 H new ATOM 0 HA SER B 44 4.883 17.507 -2.995 1.00 0.00 H new ATOM 0 HB2 SER B 44 7.517 18.987 -3.319 1.00 0.00 H new ATOM 0 HB3 SER B 44 6.055 19.623 -2.594 1.00 0.00 H new ATOM 0 HG SER B 44 7.543 18.814 -1.005 1.00 0.00 H new ATOM 1659 N GLN B 45 4.141 18.190 -5.247 1.00 0.00 N ATOM 1660 CA GLN B 45 3.666 18.592 -6.559 1.00 0.00 C ATOM 1661 C GLN B 45 2.662 19.728 -6.440 1.00 0.00 C ATOM 1662 O GLN B 45 1.769 19.688 -5.596 1.00 0.00 O ATOM 1663 CB GLN B 45 3.030 17.396 -7.265 1.00 0.00 C ATOM 1664 CG GLN B 45 3.973 16.213 -7.421 1.00 0.00 C ATOM 1665 CD GLN B 45 5.091 16.469 -8.411 1.00 0.00 C ATOM 1666 OE1 GLN B 45 4.960 16.168 -9.599 1.00 0.00 O ATOM 1667 NE2 GLN B 45 6.193 17.030 -7.941 1.00 0.00 N ATOM 0 H GLN B 45 3.414 17.836 -4.625 1.00 0.00 H new ATOM 0 HA GLN B 45 4.513 18.946 -7.146 1.00 0.00 H new ATOM 0 HB2 GLN B 45 2.151 17.078 -6.704 1.00 0.00 H new ATOM 0 HB3 GLN B 45 2.684 17.708 -8.251 1.00 0.00 H new ATOM 0 HG2 GLN B 45 4.405 15.970 -6.450 1.00 0.00 H new ATOM 0 HG3 GLN B 45 3.403 15.342 -7.744 1.00 0.00 H new ATOM 0 HE21 GLN B 45 6.263 17.265 -6.951 1.00 0.00 H new ATOM 0 HE22 GLN B 45 6.972 17.228 -8.569 1.00 0.00 H new ATOM 1676 N SER B 46 2.816 20.737 -7.277 1.00 0.00 N ATOM 1677 CA SER B 46 1.934 21.888 -7.242 1.00 0.00 C ATOM 1678 C SER B 46 0.727 21.657 -8.148 1.00 0.00 C ATOM 1679 O SER B 46 0.866 21.507 -9.362 1.00 0.00 O ATOM 1680 CB SER B 46 2.695 23.147 -7.670 1.00 0.00 C ATOM 1681 OG SER B 46 1.996 24.325 -7.300 1.00 0.00 O ATOM 0 H SER B 46 3.544 20.783 -7.990 1.00 0.00 H new ATOM 0 HA SER B 46 1.577 22.028 -6.222 1.00 0.00 H new ATOM 0 HB2 SER B 46 3.684 23.150 -7.212 1.00 0.00 H new ATOM 0 HB3 SER B 46 2.844 23.134 -8.750 1.00 0.00 H new ATOM 0 HG SER B 46 1.880 24.344 -6.327 1.00 0.00 H new ATOM 1687 N GLY B 47 -0.451 21.604 -7.540 1.00 0.00 N ATOM 1688 CA GLY B 47 -1.683 21.460 -8.290 1.00 0.00 C ATOM 1689 C GLY B 47 -1.811 20.122 -8.992 1.00 0.00 C ATOM 1690 O GLY B 47 -1.628 19.066 -8.382 1.00 0.00 O ATOM 0 H GLY B 47 -0.575 21.659 -6.529 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -2.528 21.589 -7.614 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -1.743 22.257 -9.031 1.00 0.00 H new ATOM 1694 N GLY B 48 -2.102 20.171 -10.287 1.00 0.00 N ATOM 1695 CA GLY B 48 -2.388 18.965 -11.036 1.00 0.00 C ATOM 1696 C GLY B 48 -1.149 18.282 -11.581 1.00 0.00 C ATOM 1697 O GLY B 48 -1.123 17.866 -12.737 1.00 0.00 O ATOM 0 H GLY B 48 -2.145 21.031 -10.833 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -2.925 18.267 -10.394 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -3.052 19.211 -11.865 1.00 0.00 H new ATOM 1701 N GLN B 49 -0.116 18.170 -10.759 1.00 0.00 N ATOM 1702 CA GLN B 49 1.069 17.413 -11.140 1.00 0.00 C ATOM 1703 C GLN B 49 0.942 15.975 -10.656 1.00 0.00 C ATOM 1704 O GLN B 49 1.803 15.131 -10.915 1.00 0.00 O ATOM 1705 CB GLN B 49 2.340 18.070 -10.598 1.00 0.00 C ATOM 1706 CG GLN B 49 2.695 19.362 -11.318 1.00 0.00 C ATOM 1707 CD GLN B 49 2.882 19.160 -12.812 1.00 0.00 C ATOM 1708 OE1 GLN B 49 2.603 20.051 -13.613 1.00 0.00 O ATOM 1709 NE2 GLN B 49 3.367 17.987 -13.198 1.00 0.00 N ATOM 0 H GLN B 49 -0.073 18.590 -9.830 1.00 0.00 H new ATOM 0 HA GLN B 49 1.146 17.408 -12.227 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.211 18.276 -9.536 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.171 17.370 -10.688 1.00 0.00 H new ATOM 0 HG2 GLN B 49 1.908 20.097 -11.149 1.00 0.00 H new ATOM 0 HG3 GLN B 49 3.611 19.772 -10.892 1.00 0.00 H new ATOM 0 HE21 GLN B 49 3.587 17.273 -12.504 1.00 0.00 H new ATOM 0 HE22 GLN B 49 3.520 17.800 -14.189 1.00 0.00 H new ATOM 1718 N ILE B 50 -0.140 15.726 -9.932 1.00 0.00 N ATOM 1719 CA ILE B 50 -0.549 14.383 -9.560 1.00 0.00 C ATOM 1720 C ILE B 50 -2.033 14.236 -9.877 1.00 0.00 C ATOM 1721 O ILE B 50 -2.892 14.558 -9.055 1.00 0.00 O ATOM 1722 CB ILE B 50 -0.294 14.082 -8.061 1.00 0.00 C ATOM 1723 CG1 ILE B 50 1.206 14.129 -7.750 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -0.870 12.723 -7.672 1.00 0.00 C ATOM 1725 CD1 ILE B 50 1.999 13.008 -8.382 1.00 0.00 C ATOM 0 H ILE B 50 -0.762 16.456 -9.585 1.00 0.00 H new ATOM 0 HA ILE B 50 0.046 13.667 -10.128 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.798 14.850 -7.474 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.608 15.083 -8.092 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.344 14.094 -6.669 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -0.678 12.535 -6.616 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.945 12.719 -7.852 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.399 11.943 -8.270 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.051 13.111 -8.115 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.625 12.050 -8.021 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.893 13.054 -9.466 1.00 0.00 H new ATOM 1737 N SER B 51 -2.320 13.812 -11.097 1.00 0.00 N ATOM 1738 CA SER B 51 -3.690 13.731 -11.576 1.00 0.00 C ATOM 1739 C SER B 51 -4.408 12.529 -10.972 1.00 0.00 C ATOM 1740 O SER B 51 -5.429 12.671 -10.299 1.00 0.00 O ATOM 1741 CB SER B 51 -3.698 13.631 -13.101 1.00 0.00 C ATOM 1742 OG SER B 51 -2.811 14.579 -13.679 1.00 0.00 O ATOM 0 H SER B 51 -1.619 13.517 -11.776 1.00 0.00 H new ATOM 0 HA SER B 51 -4.218 14.634 -11.268 1.00 0.00 H new ATOM 0 HB2 SER B 51 -3.408 12.625 -13.404 1.00 0.00 H new ATOM 0 HB3 SER B 51 -4.708 13.798 -13.475 1.00 0.00 H new ATOM 0 HG SER B 51 -2.832 14.494 -14.655 1.00 0.00 H new ATOM 1748 N SER B 52 -3.861 11.350 -11.209 1.00 0.00 N ATOM 1749 CA SER B 52 -4.474 10.119 -10.756 1.00 0.00 C ATOM 1750 C SER B 52 -3.620 9.459 -9.672 1.00 0.00 C ATOM 1751 O SER B 52 -2.452 9.819 -9.479 1.00 0.00 O ATOM 1752 CB SER B 52 -4.634 9.174 -11.952 1.00 0.00 C ATOM 1753 OG SER B 52 -5.286 9.822 -13.031 1.00 0.00 O ATOM 0 H SER B 52 -2.986 11.221 -11.717 1.00 0.00 H new ATOM 0 HA SER B 52 -5.452 10.339 -10.327 1.00 0.00 H new ATOM 0 HB2 SER B 52 -3.654 8.821 -12.274 1.00 0.00 H new ATOM 0 HB3 SER B 52 -5.206 8.296 -11.652 1.00 0.00 H new ATOM 0 HG SER B 52 -5.374 9.198 -13.782 1.00 0.00 H new ATOM 1759 N PRO B 53 -4.188 8.480 -8.943 1.00 0.00 N ATOM 1760 CA PRO B 53 -3.429 7.681 -7.977 1.00 0.00 C ATOM 1761 C PRO B 53 -2.255 6.975 -8.649 1.00 0.00 C ATOM 1762 O PRO B 53 -1.266 6.635 -8.004 1.00 0.00 O ATOM 1763 CB PRO B 53 -4.449 6.658 -7.452 1.00 0.00 C ATOM 1764 CG PRO B 53 -5.587 6.700 -8.416 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.607 8.092 -8.976 1.00 0.00 C ATOM 0 HA PRO B 53 -2.998 8.291 -7.184 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -4.014 5.660 -7.402 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -4.778 6.913 -6.445 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -5.454 5.963 -9.208 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -6.528 6.467 -7.918 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -6.008 8.114 -9.989 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -6.223 8.761 -8.374 1.00 0.00 H new ATOM 1773 N SER B 54 -2.378 6.774 -9.958 1.00 0.00 N ATOM 1774 CA SER B 54 -1.315 6.179 -10.749 1.00 0.00 C ATOM 1775 C SER B 54 -0.117 7.125 -10.825 1.00 0.00 C ATOM 1776 O SER B 54 1.026 6.681 -10.795 1.00 0.00 O ATOM 1777 CB SER B 54 -1.823 5.843 -12.154 1.00 0.00 C ATOM 1778 OG SER B 54 -0.869 5.092 -12.881 1.00 0.00 O ATOM 0 H SER B 54 -3.211 7.018 -10.493 1.00 0.00 H new ATOM 0 HA SER B 54 -0.996 5.255 -10.267 1.00 0.00 H new ATOM 0 HB2 SER B 54 -2.753 5.280 -12.081 1.00 0.00 H new ATOM 0 HB3 SER B 54 -2.049 6.764 -12.691 1.00 0.00 H new ATOM 0 HG SER B 54 -1.222 4.891 -13.773 1.00 0.00 H new ATOM 1784 N ASP B 55 -0.385 8.430 -10.900 1.00 0.00 N ATOM 1785 CA ASP B 55 0.683 9.429 -10.919 1.00 0.00 C ATOM 1786 C ASP B 55 1.430 9.408 -9.601 1.00 0.00 C ATOM 1787 O ASP B 55 2.658 9.467 -9.565 1.00 0.00 O ATOM 1788 CB ASP B 55 0.128 10.836 -11.162 1.00 0.00 C ATOM 1789 CG ASP B 55 -0.465 11.006 -12.541 1.00 0.00 C ATOM 1790 OD1 ASP B 55 0.288 11.309 -13.485 1.00 0.00 O ATOM 1791 OD2 ASP B 55 -1.695 10.851 -12.685 1.00 0.00 O ATOM 0 H ASP B 55 -1.327 8.817 -10.948 1.00 0.00 H new ATOM 0 HA ASP B 55 1.359 9.179 -11.736 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -0.635 11.054 -10.415 1.00 0.00 H new ATOM 0 HB3 ASP B 55 0.927 11.565 -11.023 1.00 0.00 H new ATOM 1796 N LEU B 56 0.674 9.324 -8.513 1.00 0.00 N ATOM 1797 CA LEU B 56 1.265 9.208 -7.184 1.00 0.00 C ATOM 1798 C LEU B 56 2.086 7.925 -7.087 1.00 0.00 C ATOM 1799 O LEU B 56 3.224 7.935 -6.615 1.00 0.00 O ATOM 1800 CB LEU B 56 0.172 9.223 -6.111 1.00 0.00 C ATOM 1801 CG LEU B 56 0.673 9.129 -4.668 1.00 0.00 C ATOM 1802 CD1 LEU B 56 1.588 10.301 -4.343 1.00 0.00 C ATOM 1803 CD2 LEU B 56 -0.499 9.082 -3.701 1.00 0.00 C ATOM 0 H LEU B 56 -0.346 9.334 -8.524 1.00 0.00 H new ATOM 0 HA LEU B 56 1.924 10.060 -7.018 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.407 10.140 -6.218 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.509 8.392 -6.297 1.00 0.00 H new ATOM 0 HG LEU B 56 1.245 8.208 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.934 10.217 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU B 56 2.445 10.291 -5.016 1.00 0.00 H new ATOM 0 HD13 LEU B 56 1.040 11.235 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -0.125 9.015 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -1.097 9.987 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -1.116 8.210 -3.919 1.00 0.00 H new ATOM 1815 N ARG B 57 1.497 6.830 -7.555 1.00 0.00 N ATOM 1816 CA ARG B 57 2.157 5.529 -7.575 1.00 0.00 C ATOM 1817 C ARG B 57 3.448 5.595 -8.392 1.00 0.00 C ATOM 1818 O ARG B 57 4.495 5.108 -7.962 1.00 0.00 O ATOM 1819 CB ARG B 57 1.204 4.487 -8.169 1.00 0.00 C ATOM 1820 CG ARG B 57 1.720 3.060 -8.125 1.00 0.00 C ATOM 1821 CD ARG B 57 0.743 2.107 -8.793 1.00 0.00 C ATOM 1822 NE ARG B 57 1.203 0.724 -8.742 1.00 0.00 N ATOM 1823 CZ ARG B 57 1.600 0.030 -9.807 1.00 0.00 C ATOM 1824 NH1 ARG B 57 1.558 0.577 -11.018 1.00 0.00 N ATOM 1825 NH2 ARG B 57 2.030 -1.215 -9.663 1.00 0.00 N ATOM 0 H ARG B 57 0.549 6.819 -7.931 1.00 0.00 H new ATOM 0 HA ARG B 57 2.415 5.243 -6.555 1.00 0.00 H new ATOM 0 HB2 ARG B 57 0.256 4.533 -7.633 1.00 0.00 H new ATOM 0 HB3 ARG B 57 0.997 4.753 -9.206 1.00 0.00 H new ATOM 0 HG2 ARG B 57 2.687 3.004 -8.624 1.00 0.00 H new ATOM 0 HG3 ARG B 57 1.878 2.758 -7.090 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -0.228 2.184 -8.305 1.00 0.00 H new ATOM 0 HD3 ARG B 57 0.602 2.403 -9.832 1.00 0.00 H new ATOM 0 HE ARG B 57 1.222 0.259 -7.834 1.00 0.00 H new ATOM 0 HH11 ARG B 57 1.221 1.532 -11.135 1.00 0.00 H new ATOM 0 HH12 ARG B 57 1.863 0.041 -11.830 1.00 0.00 H new ATOM 0 HH21 ARG B 57 2.057 -1.641 -8.737 1.00 0.00 H new ATOM 0 HH22 ARG B 57 2.334 -1.747 -10.478 1.00 0.00 H new ATOM 1839 N GLU B 58 3.353 6.211 -9.567 1.00 0.00 N ATOM 1840 CA GLU B 58 4.497 6.408 -10.450 1.00 0.00 C ATOM 1841 C GLU B 58 5.626 7.132 -9.729 1.00 0.00 C ATOM 1842 O GLU B 58 6.742 6.630 -9.653 1.00 0.00 O ATOM 1843 CB GLU B 58 4.073 7.222 -11.675 1.00 0.00 C ATOM 1844 CG GLU B 58 5.223 7.586 -12.600 1.00 0.00 C ATOM 1845 CD GLU B 58 4.856 8.688 -13.568 1.00 0.00 C ATOM 1846 OE1 GLU B 58 4.837 9.864 -13.152 1.00 0.00 O ATOM 1847 OE2 GLU B 58 4.588 8.391 -14.750 1.00 0.00 O ATOM 0 H GLU B 58 2.479 6.588 -9.934 1.00 0.00 H new ATOM 0 HA GLU B 58 4.857 5.428 -10.763 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.332 6.654 -12.238 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.585 8.137 -11.340 1.00 0.00 H new ATOM 0 HG2 GLU B 58 6.080 7.900 -12.004 1.00 0.00 H new ATOM 0 HG3 GLU B 58 5.530 6.702 -13.159 1.00 0.00 H new ATOM 1854 N LYS B 59 5.315 8.310 -9.196 1.00 0.00 N ATOM 1855 CA LYS B 59 6.302 9.150 -8.520 1.00 0.00 C ATOM 1856 C LYS B 59 7.016 8.393 -7.407 1.00 0.00 C ATOM 1857 O LYS B 59 8.243 8.423 -7.316 1.00 0.00 O ATOM 1858 CB LYS B 59 5.620 10.395 -7.952 1.00 0.00 C ATOM 1859 CG LYS B 59 5.147 11.361 -9.023 1.00 0.00 C ATOM 1860 CD LYS B 59 6.247 12.323 -9.438 1.00 0.00 C ATOM 1861 CE LYS B 59 5.930 13.002 -10.761 1.00 0.00 C ATOM 1862 NZ LYS B 59 4.587 13.649 -10.781 1.00 0.00 N ATOM 0 H LYS B 59 4.377 8.709 -9.219 1.00 0.00 H new ATOM 0 HA LYS B 59 7.051 9.445 -9.254 1.00 0.00 H new ATOM 0 HB2 LYS B 59 4.767 10.089 -7.346 1.00 0.00 H new ATOM 0 HB3 LYS B 59 6.314 10.910 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS B 59 4.806 10.801 -9.894 1.00 0.00 H new ATOM 0 HG3 LYS B 59 4.291 11.925 -8.652 1.00 0.00 H new ATOM 0 HD2 LYS B 59 6.381 13.079 -8.664 1.00 0.00 H new ATOM 0 HD3 LYS B 59 7.190 11.783 -9.523 1.00 0.00 H new ATOM 0 HE2 LYS B 59 6.692 13.754 -10.968 1.00 0.00 H new ATOM 0 HE3 LYS B 59 5.983 12.265 -11.562 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 4.337 13.899 -11.759 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 3.878 12.990 -10.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 4.608 14.510 -10.198 1.00 0.00 H new ATOM 1876 N LEU B 60 6.249 7.708 -6.575 1.00 0.00 N ATOM 1877 CA LEU B 60 6.811 6.981 -5.446 1.00 0.00 C ATOM 1878 C LEU B 60 7.681 5.819 -5.919 1.00 0.00 C ATOM 1879 O LEU B 60 8.779 5.607 -5.404 1.00 0.00 O ATOM 1880 CB LEU B 60 5.692 6.477 -4.534 1.00 0.00 C ATOM 1881 CG LEU B 60 4.831 7.575 -3.906 1.00 0.00 C ATOM 1882 CD1 LEU B 60 3.680 6.967 -3.122 1.00 0.00 C ATOM 1883 CD2 LEU B 60 5.674 8.470 -3.008 1.00 0.00 C ATOM 0 H LEU B 60 5.235 7.639 -6.659 1.00 0.00 H new ATOM 0 HA LEU B 60 7.445 7.665 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.046 5.813 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.134 5.881 -3.736 1.00 0.00 H new ATOM 0 HG LEU B 60 4.417 8.186 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.079 7.763 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.060 6.370 -3.791 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.075 6.331 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.044 9.244 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.118 7.872 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.464 8.935 -3.597 1.00 0.00 H new ATOM 1895 N SER B 61 7.197 5.082 -6.911 1.00 0.00 N ATOM 1896 CA SER B 61 7.942 3.953 -7.451 1.00 0.00 C ATOM 1897 C SER B 61 9.197 4.435 -8.176 1.00 0.00 C ATOM 1898 O SER B 61 10.266 3.847 -8.035 1.00 0.00 O ATOM 1899 CB SER B 61 7.055 3.134 -8.396 1.00 0.00 C ATOM 1900 OG SER B 61 7.750 2.011 -8.920 1.00 0.00 O ATOM 0 H SER B 61 6.294 5.246 -7.357 1.00 0.00 H new ATOM 0 HA SER B 61 8.250 3.314 -6.624 1.00 0.00 H new ATOM 0 HB2 SER B 61 6.167 2.797 -7.862 1.00 0.00 H new ATOM 0 HB3 SER B 61 6.713 3.766 -9.215 1.00 0.00 H new ATOM 0 HG SER B 61 7.907 1.360 -8.204 1.00 0.00 H new ATOM 1906 N GLU B 62 9.062 5.522 -8.929 1.00 0.00 N ATOM 1907 CA GLU B 62 10.168 6.079 -9.704 1.00 0.00 C ATOM 1908 C GLU B 62 11.317 6.510 -8.794 1.00 0.00 C ATOM 1909 O GLU B 62 12.483 6.205 -9.055 1.00 0.00 O ATOM 1910 CB GLU B 62 9.677 7.277 -10.524 1.00 0.00 C ATOM 1911 CG GLU B 62 10.737 7.880 -11.433 1.00 0.00 C ATOM 1912 CD GLU B 62 11.155 6.942 -12.544 1.00 0.00 C ATOM 1913 OE1 GLU B 62 12.005 6.061 -12.304 1.00 0.00 O ATOM 1914 OE2 GLU B 62 10.636 7.082 -13.672 1.00 0.00 O ATOM 0 H GLU B 62 8.188 6.040 -9.020 1.00 0.00 H new ATOM 0 HA GLU B 62 10.538 5.304 -10.375 1.00 0.00 H new ATOM 0 HB2 GLU B 62 8.827 6.965 -11.131 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.316 8.047 -9.843 1.00 0.00 H new ATOM 0 HG2 GLU B 62 10.355 8.804 -11.867 1.00 0.00 H new ATOM 0 HG3 GLU B 62 11.611 8.145 -10.839 1.00 0.00 H new ATOM 1921 N LEU B 63 10.987 7.217 -7.722 1.00 0.00 N ATOM 1922 CA LEU B 63 12.003 7.699 -6.798 1.00 0.00 C ATOM 1923 C LEU B 63 12.628 6.533 -6.037 1.00 0.00 C ATOM 1924 O LEU B 63 13.837 6.512 -5.801 1.00 0.00 O ATOM 1925 CB LEU B 63 11.407 8.719 -5.825 1.00 0.00 C ATOM 1926 CG LEU B 63 10.728 9.928 -6.478 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.227 10.895 -5.419 1.00 0.00 C ATOM 1928 CD2 LEU B 63 11.673 10.634 -7.439 1.00 0.00 C ATOM 0 H LEU B 63 10.030 7.468 -7.472 1.00 0.00 H new ATOM 0 HA LEU B 63 12.785 8.193 -7.374 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.678 8.211 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.201 9.079 -5.170 1.00 0.00 H new ATOM 0 HG LEU B 63 9.874 9.565 -7.050 1.00 0.00 H new ATOM 0 HD11 LEU B 63 9.748 11.747 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.506 10.389 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU B 63 11.067 11.244 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU B 63 11.165 11.488 -7.888 1.00 0.00 H new ATOM 0 HD22 LEU B 63 12.553 10.980 -6.896 1.00 0.00 H new ATOM 0 HD23 LEU B 63 11.979 9.941 -8.223 1.00 0.00 H new ATOM 1940 N ALA B 64 11.806 5.555 -5.675 1.00 0.00 N ATOM 1941 CA ALA B 64 12.287 4.368 -4.976 1.00 0.00 C ATOM 1942 C ALA B 64 13.170 3.523 -5.888 1.00 0.00 C ATOM 1943 O ALA B 64 14.158 2.935 -5.443 1.00 0.00 O ATOM 1944 CB ALA B 64 11.114 3.548 -4.461 1.00 0.00 C ATOM 0 H ALA B 64 10.802 5.560 -5.854 1.00 0.00 H new ATOM 0 HA ALA B 64 12.888 4.690 -4.126 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.487 2.665 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.523 4.151 -3.772 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.490 3.239 -5.300 1.00 0.00 H new ATOM 1950 N ASP B 65 12.805 3.477 -7.163 1.00 0.00 N ATOM 1951 CA ASP B 65 13.574 2.758 -8.175 1.00 0.00 C ATOM 1952 C ASP B 65 14.985 3.320 -8.276 1.00 0.00 C ATOM 1953 O ASP B 65 15.964 2.574 -8.318 1.00 0.00 O ATOM 1954 CB ASP B 65 12.877 2.863 -9.536 1.00 0.00 C ATOM 1955 CG ASP B 65 13.627 2.150 -10.641 1.00 0.00 C ATOM 1956 OD1 ASP B 65 13.420 0.929 -10.807 1.00 0.00 O ATOM 1957 OD2 ASP B 65 14.419 2.810 -11.354 1.00 0.00 O ATOM 0 H ASP B 65 11.969 3.936 -7.526 1.00 0.00 H new ATOM 0 HA ASP B 65 13.635 1.710 -7.881 1.00 0.00 H new ATOM 0 HB2 ASP B 65 11.873 2.445 -9.457 1.00 0.00 H new ATOM 0 HB3 ASP B 65 12.765 3.914 -9.800 1.00 0.00 H new ATOM 1962 N ALA B 66 15.079 4.643 -8.296 1.00 0.00 N ATOM 1963 CA ALA B 66 16.364 5.324 -8.383 1.00 0.00 C ATOM 1964 C ALA B 66 17.211 5.072 -7.140 1.00 0.00 C ATOM 1965 O ALA B 66 18.436 4.999 -7.219 1.00 0.00 O ATOM 1966 CB ALA B 66 16.156 6.815 -8.582 1.00 0.00 C ATOM 0 H ALA B 66 14.275 5.269 -8.253 1.00 0.00 H new ATOM 0 HA ALA B 66 16.900 4.921 -9.242 1.00 0.00 H new ATOM 0 HB1 ALA B 66 17.124 7.312 -8.645 1.00 0.00 H new ATOM 0 HB2 ALA B 66 15.600 6.985 -9.504 1.00 0.00 H new ATOM 0 HB3 ALA B 66 15.595 7.220 -7.740 1.00 0.00 H new ATOM 1972 N LYS B 67 16.554 4.940 -5.995 1.00 0.00 N ATOM 1973 CA LYS B 67 17.257 4.702 -4.737 1.00 0.00 C ATOM 1974 C LYS B 67 17.704 3.250 -4.629 1.00 0.00 C ATOM 1975 O LYS B 67 18.656 2.933 -3.915 1.00 0.00 O ATOM 1976 CB LYS B 67 16.366 5.057 -3.544 1.00 0.00 C ATOM 1977 CG LYS B 67 15.972 6.522 -3.486 1.00 0.00 C ATOM 1978 CD LYS B 67 17.194 7.426 -3.423 1.00 0.00 C ATOM 1979 CE LYS B 67 16.805 8.895 -3.402 1.00 0.00 C ATOM 1980 NZ LYS B 67 17.995 9.782 -3.448 1.00 0.00 N ATOM 0 H LYS B 67 15.539 4.993 -5.909 1.00 0.00 H new ATOM 0 HA LYS B 67 18.139 5.342 -4.724 1.00 0.00 H new ATOM 0 HB2 LYS B 67 15.462 4.449 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.886 4.794 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS B 67 15.376 6.775 -4.363 1.00 0.00 H new ATOM 0 HG3 LYS B 67 15.344 6.697 -2.613 1.00 0.00 H new ATOM 0 HD2 LYS B 67 17.775 7.191 -2.532 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.835 7.231 -4.283 1.00 0.00 H new ATOM 0 HE2 LYS B 67 16.157 9.112 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS B 67 16.229 9.106 -2.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 17.688 10.776 -3.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 18.601 9.593 -2.624 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 18.531 9.599 -4.320 1.00 0.00 H new ATOM 1994 N GLY B 68 17.015 2.375 -5.343 1.00 0.00 N ATOM 1995 CA GLY B 68 17.326 0.963 -5.286 1.00 0.00 C ATOM 1996 C GLY B 68 16.519 0.248 -4.224 1.00 0.00 C ATOM 1997 O GLY B 68 17.042 -0.596 -3.495 1.00 0.00 O ATOM 0 H GLY B 68 16.243 2.618 -5.963 1.00 0.00 H new ATOM 0 HA2 GLY B 68 17.130 0.509 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.389 0.834 -5.082 1.00 0.00 H new ATOM 2001 N GLY B 69 15.245 0.598 -4.124 1.00 0.00 N ATOM 2002 CA GLY B 69 14.372 -0.052 -3.171 1.00 0.00 C ATOM 2003 C GLY B 69 13.298 -0.869 -3.855 1.00 0.00 C ATOM 2004 O GLY B 69 12.898 -0.560 -4.976 1.00 0.00 O ATOM 0 H GLY B 69 14.800 1.322 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY B 69 14.961 -0.699 -2.521 1.00 0.00 H new ATOM 0 HA3 GLY B 69 13.906 0.700 -2.534 1.00 0.00 H new ATOM 2008 N LYS B 70 12.832 -1.913 -3.186 1.00 0.00 N ATOM 2009 CA LYS B 70 11.809 -2.784 -3.750 1.00 0.00 C ATOM 2010 C LYS B 70 10.419 -2.291 -3.375 1.00 0.00 C ATOM 2011 O LYS B 70 9.461 -2.461 -4.133 1.00 0.00 O ATOM 2012 CB LYS B 70 11.993 -4.224 -3.260 1.00 0.00 C ATOM 2013 CG LYS B 70 13.247 -4.905 -3.787 1.00 0.00 C ATOM 2014 CD LYS B 70 13.400 -6.310 -3.222 1.00 0.00 C ATOM 2015 CE LYS B 70 14.635 -7.006 -3.775 1.00 0.00 C ATOM 2016 NZ LYS B 70 14.869 -8.329 -3.134 1.00 0.00 N ATOM 0 H LYS B 70 13.145 -2.178 -2.252 1.00 0.00 H new ATOM 0 HA LYS B 70 11.913 -2.763 -4.835 1.00 0.00 H new ATOM 0 HB2 LYS B 70 12.023 -4.224 -2.170 1.00 0.00 H new ATOM 0 HB3 LYS B 70 11.123 -4.811 -3.555 1.00 0.00 H new ATOM 0 HG2 LYS B 70 13.206 -4.952 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS B 70 14.122 -4.310 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS B 70 13.466 -6.260 -2.135 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.513 -6.897 -3.461 1.00 0.00 H new ATOM 0 HE2 LYS B 70 14.523 -7.140 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS B 70 15.507 -6.371 -3.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 15.484 -8.906 -3.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 15.327 -8.191 -2.211 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 13.960 -8.815 -3.000 1.00 0.00 H new ATOM 2030 N TYR B 71 10.314 -1.674 -2.205 1.00 0.00 N ATOM 2031 CA TYR B 71 9.028 -1.233 -1.687 1.00 0.00 C ATOM 2032 C TYR B 71 9.120 0.205 -1.196 1.00 0.00 C ATOM 2033 O TYR B 71 10.214 0.731 -0.990 1.00 0.00 O ATOM 2034 CB TYR B 71 8.583 -2.127 -0.523 1.00 0.00 C ATOM 2035 CG TYR B 71 8.758 -3.611 -0.765 1.00 0.00 C ATOM 2036 CD1 TYR B 71 7.911 -4.308 -1.617 1.00 0.00 C ATOM 2037 CD2 TYR B 71 9.773 -4.315 -0.128 1.00 0.00 C ATOM 2038 CE1 TYR B 71 8.071 -5.666 -1.826 1.00 0.00 C ATOM 2039 CE2 TYR B 71 9.939 -5.670 -0.333 1.00 0.00 C ATOM 2040 CZ TYR B 71 9.088 -6.340 -1.182 1.00 0.00 C ATOM 2041 OH TYR B 71 9.253 -7.692 -1.386 1.00 0.00 O ATOM 0 H TYR B 71 11.106 -1.468 -1.597 1.00 0.00 H new ATOM 0 HA TYR B 71 8.299 -1.298 -2.495 1.00 0.00 H new ATOM 0 HB2 TYR B 71 9.146 -1.849 0.368 1.00 0.00 H new ATOM 0 HB3 TYR B 71 7.533 -1.928 -0.311 1.00 0.00 H new ATOM 0 HD1 TYR B 71 7.116 -3.782 -2.124 1.00 0.00 H new ATOM 0 HD2 TYR B 71 10.443 -3.793 0.539 1.00 0.00 H new ATOM 0 HE1 TYR B 71 7.404 -6.196 -2.490 1.00 0.00 H new ATOM 0 HE2 TYR B 71 10.733 -6.202 0.170 1.00 0.00 H new ATOM 0 HH TYR B 71 10.015 -8.012 -0.859 1.00 0.00 H new ATOM 2051 N TYR B 72 7.971 0.834 -1.008 1.00 0.00 N ATOM 2052 CA TYR B 72 7.915 2.153 -0.396 1.00 0.00 C ATOM 2053 C TYR B 72 6.756 2.221 0.591 1.00 0.00 C ATOM 2054 O TYR B 72 5.767 1.495 0.457 1.00 0.00 O ATOM 2055 CB TYR B 72 7.787 3.262 -1.456 1.00 0.00 C ATOM 2056 CG TYR B 72 6.565 3.156 -2.346 1.00 0.00 C ATOM 2057 CD1 TYR B 72 5.316 3.581 -1.906 1.00 0.00 C ATOM 2058 CD2 TYR B 72 6.663 2.639 -3.630 1.00 0.00 C ATOM 2059 CE1 TYR B 72 4.204 3.489 -2.719 1.00 0.00 C ATOM 2060 CE2 TYR B 72 5.555 2.545 -4.448 1.00 0.00 C ATOM 2061 CZ TYR B 72 4.329 2.971 -3.990 1.00 0.00 C ATOM 2062 OH TYR B 72 3.224 2.874 -4.801 1.00 0.00 O ATOM 0 H TYR B 72 7.062 0.452 -1.271 1.00 0.00 H new ATOM 0 HA TYR B 72 8.850 2.317 0.140 1.00 0.00 H new ATOM 0 HB2 TYR B 72 7.767 4.227 -0.950 1.00 0.00 H new ATOM 0 HB3 TYR B 72 8.678 3.249 -2.084 1.00 0.00 H new ATOM 0 HD1 TYR B 72 5.214 3.990 -0.912 1.00 0.00 H new ATOM 0 HD2 TYR B 72 7.623 2.304 -3.996 1.00 0.00 H new ATOM 0 HE1 TYR B 72 3.241 3.821 -2.361 1.00 0.00 H new ATOM 0 HE2 TYR B 72 5.650 2.139 -5.444 1.00 0.00 H new ATOM 0 HH TYR B 72 2.591 3.588 -4.578 1.00 0.00 H new ATOM 2072 N HIS B 73 6.887 3.077 1.590 1.00 0.00 N ATOM 2073 CA HIS B 73 5.843 3.251 2.586 1.00 0.00 C ATOM 2074 C HIS B 73 5.565 4.727 2.816 1.00 0.00 C ATOM 2075 O HIS B 73 6.437 5.464 3.271 1.00 0.00 O ATOM 2076 CB HIS B 73 6.243 2.581 3.906 1.00 0.00 C ATOM 2077 CG HIS B 73 5.236 2.758 5.005 1.00 0.00 C ATOM 2078 ND1 HIS B 73 4.072 2.027 5.080 1.00 0.00 N ATOM 2079 CD2 HIS B 73 5.224 3.590 6.075 1.00 0.00 C ATOM 2080 CE1 HIS B 73 3.387 2.402 6.145 1.00 0.00 C ATOM 2081 NE2 HIS B 73 4.065 3.346 6.766 1.00 0.00 N ATOM 0 H HIS B 73 7.709 3.664 1.733 1.00 0.00 H new ATOM 0 HA HIS B 73 4.935 2.778 2.213 1.00 0.00 H new ATOM 0 HB2 HIS B 73 6.393 1.516 3.731 1.00 0.00 H new ATOM 0 HB3 HIS B 73 7.200 2.988 4.234 1.00 0.00 H new ATOM 0 HD1 HIS B 73 3.784 1.308 4.417 1.00 0.00 H new ATOM 0 HD2 HIS B 73 5.985 4.311 6.335 1.00 0.00 H new ATOM 0 HE1 HIS B 73 2.433 2.003 6.455 1.00 0.00 H new ATOM 2090 N ILE B 74 4.352 5.150 2.501 1.00 0.00 N ATOM 2091 CA ILE B 74 3.938 6.525 2.739 1.00 0.00 C ATOM 2092 C ILE B 74 3.773 6.769 4.234 1.00 0.00 C ATOM 2093 O ILE B 74 3.083 6.014 4.921 1.00 0.00 O ATOM 2094 CB ILE B 74 2.608 6.847 2.025 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.727 6.566 0.524 1.00 0.00 C ATOM 2096 CG2 ILE B 74 2.213 8.297 2.267 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.438 6.785 -0.239 1.00 0.00 C ATOM 0 H ILE B 74 3.635 4.560 2.079 1.00 0.00 H new ATOM 0 HA ILE B 74 4.714 7.177 2.337 1.00 0.00 H new ATOM 0 HB ILE B 74 1.829 6.205 2.436 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.502 7.207 0.103 1.00 0.00 H new ATOM 0 HG13 ILE B 74 3.053 5.536 0.381 1.00 0.00 H new ATOM 0 HG21 ILE B 74 1.273 8.508 1.757 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.091 8.467 3.337 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.991 8.955 1.881 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.599 6.567 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.665 6.124 0.155 1.00 0.00 H new ATOM 0 HD13 ILE B 74 1.121 7.822 -0.127 1.00 0.00 H new ATOM 2109 N ILE B 75 4.427 7.803 4.741 1.00 0.00 N ATOM 2110 CA ILE B 75 4.320 8.141 6.152 1.00 0.00 C ATOM 2111 C ILE B 75 3.524 9.425 6.343 1.00 0.00 C ATOM 2112 O ILE B 75 2.894 9.626 7.381 1.00 0.00 O ATOM 2113 CB ILE B 75 5.705 8.281 6.824 1.00 0.00 C ATOM 2114 CG1 ILE B 75 6.554 9.338 6.110 1.00 0.00 C ATOM 2115 CG2 ILE B 75 6.418 6.935 6.840 1.00 0.00 C ATOM 2116 CD1 ILE B 75 7.885 9.608 6.781 1.00 0.00 C ATOM 0 H ILE B 75 5.034 8.419 4.200 1.00 0.00 H new ATOM 0 HA ILE B 75 3.795 7.316 6.634 1.00 0.00 H new ATOM 0 HB ILE B 75 5.559 8.610 7.853 1.00 0.00 H new ATOM 0 HG12 ILE B 75 6.734 9.015 5.085 1.00 0.00 H new ATOM 0 HG13 ILE B 75 5.989 10.269 6.056 1.00 0.00 H new ATOM 0 HG21 ILE B 75 7.393 7.045 7.316 1.00 0.00 H new ATOM 0 HG22 ILE B 75 5.821 6.214 7.398 1.00 0.00 H new ATOM 0 HG23 ILE B 75 6.551 6.582 5.818 1.00 0.00 H new ATOM 0 HD11 ILE B 75 8.429 10.367 6.218 1.00 0.00 H new ATOM 0 HD12 ILE B 75 7.715 9.963 7.798 1.00 0.00 H new ATOM 0 HD13 ILE B 75 8.471 8.689 6.811 1.00 0.00 H new ATOM 2128 N ALA B 76 3.539 10.287 5.332 1.00 0.00 N ATOM 2129 CA ALA B 76 2.818 11.548 5.400 1.00 0.00 C ATOM 2130 C ALA B 76 2.459 12.057 4.009 1.00 0.00 C ATOM 2131 O ALA B 76 3.273 12.682 3.338 1.00 0.00 O ATOM 2132 CB ALA B 76 3.639 12.591 6.147 1.00 0.00 C ATOM 0 H ALA B 76 4.042 10.134 4.458 1.00 0.00 H new ATOM 0 HA ALA B 76 1.890 11.372 5.944 1.00 0.00 H new ATOM 0 HB1 ALA B 76 3.085 13.529 6.189 1.00 0.00 H new ATOM 0 HB2 ALA B 76 3.837 12.241 7.160 1.00 0.00 H new ATOM 0 HB3 ALA B 76 4.584 12.751 5.627 1.00 0.00 H new ATOM 2138 N ALA B 77 1.245 11.761 3.571 1.00 0.00 N ATOM 2139 CA ALA B 77 0.742 12.280 2.308 1.00 0.00 C ATOM 2140 C ALA B 77 -0.409 13.231 2.578 1.00 0.00 C ATOM 2141 O ALA B 77 -1.496 12.811 2.971 1.00 0.00 O ATOM 2142 CB ALA B 77 0.306 11.151 1.387 1.00 0.00 C ATOM 0 H ALA B 77 0.588 11.163 4.073 1.00 0.00 H new ATOM 0 HA ALA B 77 1.543 12.821 1.804 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -0.065 11.568 0.451 1.00 0.00 H new ATOM 0 HB2 ALA B 77 1.156 10.500 1.182 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -0.485 10.575 1.867 1.00 0.00 H new ATOM 2148 N ARG B 78 -0.163 14.514 2.386 1.00 0.00 N ATOM 2149 CA ARG B 78 -1.135 15.529 2.747 1.00 0.00 C ATOM 2150 C ARG B 78 -1.297 16.558 1.641 1.00 0.00 C ATOM 2151 O ARG B 78 -0.449 16.683 0.756 1.00 0.00 O ATOM 2152 CB ARG B 78 -0.709 16.223 4.043 1.00 0.00 C ATOM 2153 CG ARG B 78 0.650 16.904 3.954 1.00 0.00 C ATOM 2154 CD ARG B 78 1.045 17.532 5.278 1.00 0.00 C ATOM 2155 NE ARG B 78 0.102 18.567 5.699 1.00 0.00 N ATOM 2156 CZ ARG B 78 -0.170 18.861 6.971 1.00 0.00 C ATOM 2157 NH1 ARG B 78 0.449 18.218 7.957 1.00 0.00 N ATOM 2158 NH2 ARG B 78 -1.056 19.804 7.250 1.00 0.00 N ATOM 0 H ARG B 78 0.700 14.877 1.983 1.00 0.00 H new ATOM 0 HA ARG B 78 -2.096 15.037 2.895 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -1.461 16.965 4.311 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -0.685 15.488 4.848 1.00 0.00 H new ATOM 0 HG2 ARG B 78 1.404 16.176 3.656 1.00 0.00 H new ATOM 0 HG3 ARG B 78 0.624 17.671 3.180 1.00 0.00 H new ATOM 0 HD2 ARG B 78 1.099 16.758 6.044 1.00 0.00 H new ATOM 0 HD3 ARG B 78 2.042 17.964 5.191 1.00 0.00 H new ATOM 0 HE ARG B 78 -0.379 19.098 4.973 1.00 0.00 H new ATOM 0 HH11 ARG B 78 1.136 17.495 7.742 1.00 0.00 H new ATOM 0 HH12 ARG B 78 0.237 18.447 8.928 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -1.527 20.301 6.494 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -1.268 20.033 8.221 1.00 0.00 H new ATOM 2172 N GLU B 79 -2.392 17.294 1.703 1.00 0.00 N ATOM 2173 CA GLU B 79 -2.648 18.366 0.760 1.00 0.00 C ATOM 2174 C GLU B 79 -2.337 19.700 1.428 1.00 0.00 C ATOM 2175 O GLU B 79 -3.120 20.199 2.239 1.00 0.00 O ATOM 2176 CB GLU B 79 -4.103 18.324 0.292 1.00 0.00 C ATOM 2177 CG GLU B 79 -4.393 19.235 -0.887 1.00 0.00 C ATOM 2178 CD GLU B 79 -5.856 19.234 -1.271 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -6.340 18.208 -1.795 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -6.531 20.257 -1.042 1.00 0.00 O ATOM 0 H GLU B 79 -3.123 17.167 2.403 1.00 0.00 H new ATOM 0 HA GLU B 79 -2.009 18.244 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -4.358 17.300 0.019 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -4.751 18.603 1.123 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -4.085 20.251 -0.641 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -3.796 18.919 -1.742 1.00 0.00 H new ATOM 2187 N HIS B 80 -1.184 20.253 1.105 1.00 0.00 N ATOM 2188 CA HIS B 80 -0.694 21.455 1.761 1.00 0.00 C ATOM 2189 C HIS B 80 -0.949 22.676 0.885 1.00 0.00 C ATOM 2190 O HIS B 80 -0.098 23.077 0.090 1.00 0.00 O ATOM 2191 CB HIS B 80 0.799 21.289 2.069 1.00 0.00 C ATOM 2192 CG HIS B 80 1.453 22.453 2.759 1.00 0.00 C ATOM 2193 ND1 HIS B 80 2.802 22.706 2.661 1.00 0.00 N ATOM 2194 CD2 HIS B 80 0.950 23.416 3.570 1.00 0.00 C ATOM 2195 CE1 HIS B 80 3.103 23.770 3.375 1.00 0.00 C ATOM 2196 NE2 HIS B 80 2.000 24.222 3.938 1.00 0.00 N ATOM 0 H HIS B 80 -0.562 19.886 0.385 1.00 0.00 H new ATOM 0 HA HIS B 80 -1.228 21.607 2.699 1.00 0.00 H new ATOM 0 HB2 HIS B 80 0.927 20.403 2.690 1.00 0.00 H new ATOM 0 HB3 HIS B 80 1.326 21.101 1.133 1.00 0.00 H new ATOM 0 HD1 HIS B 80 3.466 22.154 2.119 1.00 0.00 H new ATOM 0 HD2 HIS B 80 -0.081 23.528 3.870 1.00 0.00 H new ATOM 0 HE1 HIS B 80 4.088 24.200 3.482 1.00 0.00 H new ATOM 2205 N GLY B 81 -2.141 23.237 1.014 1.00 0.00 N ATOM 2206 CA GLY B 81 -2.505 24.394 0.225 1.00 0.00 C ATOM 2207 C GLY B 81 -2.781 24.022 -1.215 1.00 0.00 C ATOM 2208 O GLY B 81 -3.621 23.160 -1.487 1.00 0.00 O ATOM 0 H GLY B 81 -2.865 22.910 1.654 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -3.389 24.865 0.655 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -1.701 25.129 0.264 1.00 0.00 H new ATOM 2212 N PRO B 82 -2.076 24.647 -2.166 1.00 0.00 N ATOM 2213 CA PRO B 82 -2.199 24.319 -3.581 1.00 0.00 C ATOM 2214 C PRO B 82 -1.303 23.148 -3.978 1.00 0.00 C ATOM 2215 O PRO B 82 -1.379 22.640 -5.097 1.00 0.00 O ATOM 2216 CB PRO B 82 -1.734 25.602 -4.261 1.00 0.00 C ATOM 2217 CG PRO B 82 -0.720 26.179 -3.328 1.00 0.00 C ATOM 2218 CD PRO B 82 -1.114 25.743 -1.936 1.00 0.00 C ATOM 0 HA PRO B 82 -3.208 24.009 -3.855 1.00 0.00 H new ATOM 0 HB2 PRO B 82 -1.300 25.397 -5.240 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -2.564 26.290 -4.418 1.00 0.00 H new ATOM 0 HG2 PRO B 82 0.280 25.824 -3.576 1.00 0.00 H new ATOM 0 HG3 PRO B 82 -0.700 27.266 -3.402 1.00 0.00 H new ATOM 0 HD2 PRO B 82 -0.250 25.403 -1.364 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -1.566 26.560 -1.374 1.00 0.00 H new ATOM 2226 N ASN B 83 -0.462 22.722 -3.046 1.00 0.00 N ATOM 2227 CA ASN B 83 0.509 21.670 -3.308 1.00 0.00 C ATOM 2228 C ASN B 83 0.106 20.370 -2.632 1.00 0.00 C ATOM 2229 O ASN B 83 -0.545 20.372 -1.587 1.00 0.00 O ATOM 2230 CB ASN B 83 1.900 22.086 -2.817 1.00 0.00 C ATOM 2231 CG ASN B 83 2.601 23.059 -3.747 1.00 0.00 C ATOM 2232 OD1 ASN B 83 1.967 23.837 -4.462 1.00 0.00 O ATOM 2233 ND2 ASN B 83 3.924 23.036 -3.729 1.00 0.00 N ATOM 0 H ASN B 83 -0.433 23.092 -2.096 1.00 0.00 H new ATOM 0 HA ASN B 83 0.537 21.512 -4.386 1.00 0.00 H new ATOM 0 HB2 ASN B 83 1.808 22.540 -1.830 1.00 0.00 H new ATOM 0 HB3 ASN B 83 2.518 21.196 -2.702 1.00 0.00 H new ATOM 0 HD21 ASN B 83 4.453 23.677 -4.320 1.00 0.00 H new ATOM 0 HD22 ASN B 83 4.414 22.378 -3.124 1.00 0.00 H new ATOM 2240 N PHE B 84 0.493 19.265 -3.239 1.00 0.00 N ATOM 2241 CA PHE B 84 0.297 17.956 -2.646 1.00 0.00 C ATOM 2242 C PHE B 84 1.646 17.400 -2.215 1.00 0.00 C ATOM 2243 O PHE B 84 2.576 17.314 -3.022 1.00 0.00 O ATOM 2244 CB PHE B 84 -0.387 17.009 -3.636 1.00 0.00 C ATOM 2245 CG PHE B 84 -0.643 15.639 -3.073 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -1.661 15.432 -2.157 1.00 0.00 C ATOM 2247 CD2 PHE B 84 0.137 14.559 -3.458 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.896 14.176 -1.633 1.00 0.00 C ATOM 2249 CE2 PHE B 84 -0.096 13.301 -2.938 1.00 0.00 C ATOM 2250 CZ PHE B 84 -1.112 13.108 -2.024 1.00 0.00 C ATOM 0 H PHE B 84 0.949 19.248 -4.151 1.00 0.00 H new ATOM 0 HA PHE B 84 -0.352 18.048 -1.775 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -1.334 17.447 -3.951 1.00 0.00 H new ATOM 0 HB3 PHE B 84 0.234 16.917 -4.527 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -2.278 16.263 -1.849 1.00 0.00 H new ATOM 0 HD2 PHE B 84 0.935 14.703 -4.172 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.692 14.029 -0.918 1.00 0.00 H new ATOM 0 HE2 PHE B 84 0.517 12.467 -3.247 1.00 0.00 H new ATOM 0 HZ PHE B 84 -1.294 12.125 -1.616 1.00 0.00 H new ATOM 2260 N GLU B 85 1.755 17.038 -0.948 1.00 0.00 N ATOM 2261 CA GLU B 85 3.021 16.596 -0.386 1.00 0.00 C ATOM 2262 C GLU B 85 2.926 15.153 0.086 1.00 0.00 C ATOM 2263 O GLU B 85 2.266 14.854 1.082 1.00 0.00 O ATOM 2264 CB GLU B 85 3.430 17.505 0.772 1.00 0.00 C ATOM 2265 CG GLU B 85 3.515 18.971 0.383 1.00 0.00 C ATOM 2266 CD GLU B 85 3.823 19.875 1.557 1.00 0.00 C ATOM 2267 OE1 GLU B 85 3.479 19.511 2.700 1.00 0.00 O ATOM 2268 OE2 GLU B 85 4.380 20.971 1.335 1.00 0.00 O ATOM 0 H GLU B 85 0.979 17.041 -0.286 1.00 0.00 H new ATOM 0 HA GLU B 85 3.781 16.653 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU B 85 2.712 17.393 1.584 1.00 0.00 H new ATOM 0 HB3 GLU B 85 4.398 17.181 1.155 1.00 0.00 H new ATOM 0 HG2 GLU B 85 4.286 19.096 -0.377 1.00 0.00 H new ATOM 0 HG3 GLU B 85 2.571 19.278 -0.067 1.00 0.00 H new ATOM 2275 N ALA B 86 3.575 14.266 -0.645 1.00 0.00 N ATOM 2276 CA ALA B 86 3.605 12.859 -0.298 1.00 0.00 C ATOM 2277 C ALA B 86 4.997 12.455 0.166 1.00 0.00 C ATOM 2278 O ALA B 86 5.930 12.360 -0.634 1.00 0.00 O ATOM 2279 CB ALA B 86 3.170 12.009 -1.482 1.00 0.00 C ATOM 0 H ALA B 86 4.094 14.500 -1.492 1.00 0.00 H new ATOM 0 HA ALA B 86 2.906 12.691 0.521 1.00 0.00 H new ATOM 0 HB1 ALA B 86 3.199 10.956 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.155 12.281 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA B 86 3.845 12.181 -2.321 1.00 0.00 H new ATOM 2285 N VAL B 87 5.138 12.257 1.463 1.00 0.00 N ATOM 2286 CA VAL B 87 6.395 11.815 2.037 1.00 0.00 C ATOM 2287 C VAL B 87 6.358 10.310 2.271 1.00 0.00 C ATOM 2288 O VAL B 87 5.528 9.806 3.036 1.00 0.00 O ATOM 2289 CB VAL B 87 6.698 12.537 3.368 1.00 0.00 C ATOM 2290 CG1 VAL B 87 8.063 12.133 3.905 1.00 0.00 C ATOM 2291 CG2 VAL B 87 6.617 14.046 3.191 1.00 0.00 C ATOM 0 H VAL B 87 4.391 12.397 2.144 1.00 0.00 H new ATOM 0 HA VAL B 87 7.187 12.061 1.330 1.00 0.00 H new ATOM 0 HB VAL B 87 5.944 12.236 4.096 1.00 0.00 H new ATOM 0 HG11 VAL B 87 8.254 12.654 4.843 1.00 0.00 H new ATOM 0 HG12 VAL B 87 8.082 11.057 4.078 1.00 0.00 H new ATOM 0 HG13 VAL B 87 8.832 12.398 3.180 1.00 0.00 H new ATOM 0 HG21 VAL B 87 6.834 14.536 4.140 1.00 0.00 H new ATOM 0 HG22 VAL B 87 7.344 14.364 2.444 1.00 0.00 H new ATOM 0 HG23 VAL B 87 5.615 14.320 2.862 1.00 0.00 H new ATOM 2301 N ALA B 88 7.245 9.597 1.600 1.00 0.00 N ATOM 2302 CA ALA B 88 7.299 8.151 1.702 1.00 0.00 C ATOM 2303 C ALA B 88 8.730 7.693 1.915 1.00 0.00 C ATOM 2304 O ALA B 88 9.674 8.376 1.524 1.00 0.00 O ATOM 2305 CB ALA B 88 6.714 7.509 0.453 1.00 0.00 C ATOM 0 H ALA B 88 7.942 10.000 0.974 1.00 0.00 H new ATOM 0 HA ALA B 88 6.703 7.839 2.560 1.00 0.00 H new ATOM 0 HB1 ALA B 88 6.762 6.424 0.545 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.675 7.818 0.338 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.285 7.825 -0.420 1.00 0.00 H new ATOM 2311 N GLU B 89 8.895 6.549 2.549 1.00 0.00 N ATOM 2312 CA GLU B 89 10.219 6.009 2.786 1.00 0.00 C ATOM 2313 C GLU B 89 10.426 4.744 1.965 1.00 0.00 C ATOM 2314 O GLU B 89 9.522 3.916 1.843 1.00 0.00 O ATOM 2315 CB GLU B 89 10.431 5.747 4.276 1.00 0.00 C ATOM 2316 CG GLU B 89 10.149 6.970 5.134 1.00 0.00 C ATOM 2317 CD GLU B 89 10.749 6.879 6.518 1.00 0.00 C ATOM 2318 OE1 GLU B 89 10.109 6.301 7.418 1.00 0.00 O ATOM 2319 OE2 GLU B 89 11.867 7.401 6.716 1.00 0.00 O ATOM 0 H GLU B 89 8.131 5.977 2.908 1.00 0.00 H new ATOM 0 HA GLU B 89 10.962 6.741 2.469 1.00 0.00 H new ATOM 0 HB2 GLU B 89 9.783 4.929 4.592 1.00 0.00 H new ATOM 0 HB3 GLU B 89 11.458 5.422 4.441 1.00 0.00 H new ATOM 0 HG2 GLU B 89 10.541 7.855 4.633 1.00 0.00 H new ATOM 0 HG3 GLU B 89 9.071 7.104 5.221 1.00 0.00 H new ATOM 2326 N VAL B 90 11.614 4.616 1.398 1.00 0.00 N ATOM 2327 CA VAL B 90 11.938 3.508 0.511 1.00 0.00 C ATOM 2328 C VAL B 90 12.513 2.342 1.302 1.00 0.00 C ATOM 2329 O VAL B 90 13.414 2.525 2.121 1.00 0.00 O ATOM 2330 CB VAL B 90 12.958 3.944 -0.564 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.242 2.811 -1.535 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.461 5.174 -1.305 1.00 0.00 C ATOM 0 H VAL B 90 12.380 5.275 1.538 1.00 0.00 H new ATOM 0 HA VAL B 90 11.016 3.195 0.021 1.00 0.00 H new ATOM 0 HB VAL B 90 13.891 4.199 -0.062 1.00 0.00 H new ATOM 0 HG11 VAL B 90 13.963 3.144 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL B 90 13.650 1.959 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.317 2.516 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL B 90 13.193 5.466 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.512 4.947 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL B 90 12.321 5.992 -0.599 1.00 0.00 H new ATOM 2342 N TYR B 91 11.999 1.147 1.053 1.00 0.00 N ATOM 2343 CA TYR B 91 12.440 -0.037 1.772 1.00 0.00 C ATOM 2344 C TYR B 91 12.893 -1.135 0.816 1.00 0.00 C ATOM 2345 O TYR B 91 12.381 -1.271 -0.298 1.00 0.00 O ATOM 2346 CB TYR B 91 11.322 -0.569 2.674 1.00 0.00 C ATOM 2347 CG TYR B 91 11.040 0.303 3.879 1.00 0.00 C ATOM 2348 CD1 TYR B 91 11.712 0.096 5.078 1.00 0.00 C ATOM 2349 CD2 TYR B 91 10.105 1.328 3.820 1.00 0.00 C ATOM 2350 CE1 TYR B 91 11.459 0.887 6.182 1.00 0.00 C ATOM 2351 CE2 TYR B 91 9.848 2.122 4.920 1.00 0.00 C ATOM 2352 CZ TYR B 91 10.528 1.898 6.099 1.00 0.00 C ATOM 2353 OH TYR B 91 10.277 2.689 7.196 1.00 0.00 O ATOM 0 H TYR B 91 11.274 0.972 0.357 1.00 0.00 H new ATOM 0 HA TYR B 91 13.291 0.255 2.388 1.00 0.00 H new ATOM 0 HB2 TYR B 91 10.409 -0.666 2.086 1.00 0.00 H new ATOM 0 HB3 TYR B 91 11.589 -1.569 3.016 1.00 0.00 H new ATOM 0 HD1 TYR B 91 12.443 -0.696 5.148 1.00 0.00 H new ATOM 0 HD2 TYR B 91 9.570 1.507 2.899 1.00 0.00 H new ATOM 0 HE1 TYR B 91 11.989 0.713 7.107 1.00 0.00 H new ATOM 0 HE2 TYR B 91 9.118 2.915 4.858 1.00 0.00 H new ATOM 0 HH TYR B 91 9.595 3.355 6.970 1.00 0.00 H new ATOM 2363 N ASN B 92 13.868 -1.904 1.264 1.00 0.00 N ATOM 2364 CA ASN B 92 14.353 -3.068 0.539 1.00 0.00 C ATOM 2365 C ASN B 92 14.594 -4.179 1.561 1.00 0.00 C ATOM 2366 O ASN B 92 14.270 -4.006 2.737 1.00 0.00 O ATOM 2367 CB ASN B 92 15.647 -2.717 -0.217 1.00 0.00 C ATOM 2368 CG ASN B 92 15.934 -3.642 -1.393 1.00 0.00 C ATOM 2369 OD1 ASN B 92 15.553 -4.809 -1.396 1.00 0.00 O ATOM 2370 ND2 ASN B 92 16.600 -3.122 -2.411 1.00 0.00 N ATOM 0 H ASN B 92 14.350 -1.739 2.147 1.00 0.00 H new ATOM 0 HA ASN B 92 13.625 -3.398 -0.201 1.00 0.00 H new ATOM 0 HB2 ASN B 92 15.580 -1.691 -0.580 1.00 0.00 H new ATOM 0 HB3 ASN B 92 16.486 -2.755 0.478 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.810 -3.694 -3.229 1.00 0.00 H new ATOM 0 HD22 ASN B 92 16.903 -2.149 -2.378 1.00 0.00 H new ATOM 2377 N ASP B 93 15.134 -5.308 1.144 1.00 0.00 N ATOM 2378 CA ASP B 93 15.449 -6.370 2.087 1.00 0.00 C ATOM 2379 C ASP B 93 16.931 -6.314 2.447 1.00 0.00 C ATOM 2380 O ASP B 93 17.652 -5.433 1.980 1.00 0.00 O ATOM 2381 CB ASP B 93 15.057 -7.749 1.534 1.00 0.00 C ATOM 2382 CG ASP B 93 16.020 -8.286 0.497 1.00 0.00 C ATOM 2383 OD1 ASP B 93 15.882 -7.940 -0.695 1.00 0.00 O ATOM 2384 OD2 ASP B 93 16.907 -9.083 0.870 1.00 0.00 O ATOM 0 H ASP B 93 15.362 -5.515 0.172 1.00 0.00 H new ATOM 0 HA ASP B 93 14.863 -6.217 2.993 1.00 0.00 H new ATOM 0 HB2 ASP B 93 14.995 -8.457 2.360 1.00 0.00 H new ATOM 0 HB3 ASP B 93 14.062 -7.684 1.094 1.00 0.00 H new ATOM 2389 N ALA B 94 17.382 -7.249 3.272 1.00 0.00 N ATOM 2390 CA ALA B 94 18.737 -7.207 3.814 1.00 0.00 C ATOM 2391 C ALA B 94 19.803 -7.543 2.769 1.00 0.00 C ATOM 2392 O ALA B 94 20.997 -7.354 3.013 1.00 0.00 O ATOM 2393 CB ALA B 94 18.852 -8.145 5.003 1.00 0.00 C ATOM 0 H ALA B 94 16.829 -8.048 3.582 1.00 0.00 H new ATOM 0 HA ALA B 94 18.921 -6.182 4.135 1.00 0.00 H new ATOM 0 HB1 ALA B 94 19.866 -8.106 5.400 1.00 0.00 H new ATOM 0 HB2 ALA B 94 18.148 -7.840 5.777 1.00 0.00 H new ATOM 0 HB3 ALA B 94 18.625 -9.163 4.687 1.00 0.00 H new