USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1085 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: A 97 ASN : amide:sc= 1.85 K(o=1.7,f=-8.5!) USER MOD Set 1.2: A 112 TYR OH : rot -140:sc= -1.07 USER MOD Set 1.3: A 127 LYS NZ :NH3+ -171:sc= 0.879 (180deg=0) USER MOD Set 2.1: A 22 ASN : amide:sc= -0.191 K(o=-0.76,f=-2.2) USER MOD Set 2.2: A 37 TYR OH : rot -130:sc= -0.511 USER MOD Set 2.3: A 53 ASN : amide:sc= -0.0614 K(o=-0.76,f=-0.13) USER MOD Single : A 10 ASN : amide:sc= -0.221 K(o=-0.22,f=-3.3!) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.0422 (180deg=-0.298) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= -0.0255 (180deg=-0.187) USER MOD Single : A 13 GLN : amide:sc= -1.66! C(o=-1.7!,f=-5.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0939) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 1.11 (180deg=0.975) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0888) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HE2:sc= -0.0952 K(o=-0.095,f=-5.7!) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0277) USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0107) USER MOD Single : A 46 THR OG1 : rot 8:sc= 1.2 USER MOD Single : A 47 ASN : amide:sc= -3.47! C(o=-3.5!,f=-1.5!) USER MOD Single : A 48 MET CE :methyl -126:sc= -6.88! (180deg=-9.64!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.262 USER MOD Single : A 52 THR OG1 : rot -15:sc= 0.827 USER MOD Single : A 54 GLN : amide:sc= -5.91! K(o=-5.9!,f=-3.6) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.117 USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= 0.948 (180deg=0.891) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0.916 K(o=0.92,f=-6.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 20:sc= -7.62! USER MOD Single : A 71 CYS SG : rot 95:sc= -2.82 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.6) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.616 K(o=0.62,f=-0.25) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 72:sc= -1.35! USER MOD Single : A 99 TYR OH : rot 172:sc= -1.2 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00554) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 166:sc= -0.0198 (180deg=-0.194) USER MOD Single : A 110 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-2.4!) USER MOD Single : A 113 ASN : amide:sc= -0.971 K(o=-0.97,f=-0.009) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot -161:sc= -3.68! USER MOD Single : A 119 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-4.3!) USER MOD Single : A 121 THR OG1 : rot -73:sc= 0.337 USER MOD Single : A 126 LYS NZ :NH3+ 159:sc= -0.0499 (180deg=-0.392) USER MOD Single : A 128 CYS SG : rot 180:sc= -2.74! USER MOD Single : A 129 GLN : amide:sc= -1.26! K(o=-1.3!,f=-0.24) USER MOD Single : A 130 GLN : amide:sc= -0.322 K(o=-0.32,f=-3.8!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.19) USER MOD Single : A 138 GLN : amide:sc= -5.14 K(o=-5.1,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 25.160 -5.786 1.744 1.00 1.26 N ATOM 2 CA GLU A 9 25.092 -5.235 0.373 1.00 1.05 C ATOM 3 C GLU A 9 23.840 -4.370 0.223 1.00 0.90 C ATOM 4 O GLU A 9 23.307 -3.867 1.216 1.00 0.98 O ATOM 5 CB GLU A 9 25.094 -6.372 -0.660 1.00 1.37 C ATOM 6 CG GLU A 9 25.700 -5.975 -2.000 1.00 2.20 C ATOM 7 CD GLU A 9 25.702 -7.105 -3.005 1.00 2.80 C ATOM 8 OE1 GLU A 9 24.676 -7.302 -3.685 1.00 3.20 O ATOM 9 OE2 GLU A 9 26.727 -7.808 -3.116 1.00 3.26 O ATOM 0 HA GLU A 9 25.969 -4.613 0.195 1.00 1.05 H new ATOM 0 HB2 GLU A 9 25.649 -7.218 -0.256 1.00 1.37 H new ATOM 0 HB3 GLU A 9 24.070 -6.709 -0.819 1.00 1.37 H new ATOM 0 HG2 GLU A 9 25.142 -5.133 -2.410 1.00 2.20 H new ATOM 0 HG3 GLU A 9 26.723 -5.634 -1.843 1.00 2.20 H new ATOM 18 N ASN A 10 23.363 -4.214 -1.007 1.00 0.79 N ATOM 19 CA ASN A 10 22.270 -3.295 -1.306 1.00 0.66 C ATOM 20 C ASN A 10 20.979 -3.729 -0.630 1.00 0.59 C ATOM 21 O ASN A 10 20.203 -2.895 -0.197 1.00 0.53 O ATOM 22 CB ASN A 10 22.055 -3.178 -2.820 1.00 0.62 C ATOM 23 CG ASN A 10 23.258 -2.594 -3.542 1.00 1.14 C ATOM 24 OD1 ASN A 10 24.401 -2.743 -3.106 1.00 1.94 O ATOM 25 ND2 ASN A 10 23.011 -1.934 -4.658 1.00 1.45 N ATOM 0 H ASN A 10 23.720 -4.717 -1.820 1.00 0.79 H new ATOM 0 HA ASN A 10 22.550 -2.318 -0.913 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.835 -4.164 -3.229 1.00 0.62 H new ATOM 0 HB3 ASN A 10 21.183 -2.552 -3.011 1.00 0.62 H new ATOM 0 HD21 ASN A 10 23.780 -1.527 -5.191 1.00 1.45 H new ATOM 0 HD22 ASN A 10 22.051 -1.831 -4.988 1.00 1.45 H new ATOM 32 N LYS A 11 20.757 -5.031 -0.524 1.00 0.63 N ATOM 33 CA LYS A 11 19.543 -5.539 0.112 1.00 0.62 C ATOM 34 C LYS A 11 19.486 -5.120 1.584 1.00 0.62 C ATOM 35 O LYS A 11 18.433 -4.730 2.100 1.00 0.58 O ATOM 36 CB LYS A 11 19.470 -7.061 -0.017 1.00 0.71 C ATOM 37 CG LYS A 11 19.438 -7.538 -1.461 1.00 0.79 C ATOM 38 CD LYS A 11 19.281 -9.047 -1.558 1.00 1.12 C ATOM 39 CE LYS A 11 20.565 -9.775 -1.195 1.00 1.50 C ATOM 40 NZ LYS A 11 21.642 -9.524 -2.187 1.00 2.19 N ATOM 0 H LYS A 11 21.393 -5.752 -0.866 1.00 0.63 H new ATOM 0 HA LYS A 11 18.682 -5.107 -0.398 1.00 0.62 H new ATOM 0 HB2 LYS A 11 20.330 -7.504 0.486 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.579 -7.421 0.498 1.00 0.71 H new ATOM 0 HG2 LYS A 11 18.614 -7.053 -1.985 1.00 0.79 H new ATOM 0 HG3 LYS A 11 20.357 -7.236 -1.963 1.00 0.79 H new ATOM 0 HD2 LYS A 11 18.479 -9.372 -0.895 1.00 1.12 H new ATOM 0 HD3 LYS A 11 18.985 -9.317 -2.572 1.00 1.12 H new ATOM 0 HE2 LYS A 11 20.898 -9.454 -0.208 1.00 1.50 H new ATOM 0 HE3 LYS A 11 20.370 -10.846 -1.133 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 22.380 -10.250 -2.089 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 21.245 -9.561 -3.147 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 22.056 -8.585 -2.020 1.00 2.19 H new ATOM 54 N LYS A 12 20.628 -5.185 2.253 1.00 0.70 N ATOM 55 CA LYS A 12 20.728 -4.730 3.632 1.00 0.74 C ATOM 56 C LYS A 12 20.565 -3.213 3.694 1.00 0.66 C ATOM 57 O LYS A 12 19.849 -2.685 4.548 1.00 0.63 O ATOM 58 CB LYS A 12 22.072 -5.153 4.233 1.00 0.90 C ATOM 59 CG LYS A 12 22.281 -4.704 5.670 1.00 1.54 C ATOM 60 CD LYS A 12 21.199 -5.241 6.594 1.00 2.02 C ATOM 61 CE LYS A 12 21.464 -4.864 8.044 1.00 2.38 C ATOM 62 NZ LYS A 12 21.556 -3.392 8.233 1.00 2.83 N ATOM 0 H LYS A 12 21.498 -5.548 1.863 1.00 0.70 H new ATOM 0 HA LYS A 12 19.931 -5.190 4.216 1.00 0.74 H new ATOM 0 HB2 LYS A 12 22.151 -6.239 4.188 1.00 0.90 H new ATOM 0 HB3 LYS A 12 22.876 -4.749 3.617 1.00 0.90 H new ATOM 0 HG2 LYS A 12 23.257 -5.043 6.018 1.00 1.54 H new ATOM 0 HG3 LYS A 12 22.288 -3.615 5.713 1.00 1.54 H new ATOM 0 HD2 LYS A 12 20.230 -4.849 6.287 1.00 2.02 H new ATOM 0 HD3 LYS A 12 21.147 -6.326 6.503 1.00 2.02 H new ATOM 0 HE2 LYS A 12 20.666 -5.260 8.672 1.00 2.38 H new ATOM 0 HE3 LYS A 12 22.392 -5.330 8.375 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 21.567 -3.173 9.250 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 22.430 -3.039 7.793 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 20.735 -2.933 7.789 1.00 2.83 H new ATOM 76 N GLN A 13 21.218 -2.522 2.766 1.00 0.64 N ATOM 77 CA GLN A 13 21.119 -1.083 2.657 1.00 0.59 C ATOM 78 C GLN A 13 19.688 -0.661 2.323 1.00 0.50 C ATOM 79 O GLN A 13 19.262 0.437 2.660 1.00 0.49 O ATOM 80 CB GLN A 13 22.079 -0.593 1.578 1.00 0.62 C ATOM 81 CG GLN A 13 22.362 0.885 1.660 1.00 0.90 C ATOM 82 CD GLN A 13 23.253 1.374 0.536 1.00 1.51 C ATOM 83 OE1 GLN A 13 22.774 1.774 -0.525 1.00 2.07 O ATOM 84 NE2 GLN A 13 24.555 1.343 0.758 1.00 2.26 N ATOM 0 H GLN A 13 21.830 -2.950 2.071 1.00 0.64 H new ATOM 0 HA GLN A 13 21.387 -0.636 3.614 1.00 0.59 H new ATOM 0 HB2 GLN A 13 23.018 -1.141 1.660 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.661 -0.822 0.598 1.00 0.62 H new ATOM 0 HG2 GLN A 13 21.420 1.433 1.636 1.00 0.90 H new ATOM 0 HG3 GLN A 13 22.836 1.107 2.616 1.00 0.90 H new ATOM 0 HE21 GLN A 13 24.912 1.004 1.651 1.00 2.26 H new ATOM 0 HE22 GLN A 13 25.203 1.658 0.036 1.00 2.26 H new ATOM 93 N ALA A 14 18.957 -1.544 1.651 1.00 0.46 N ATOM 94 CA ALA A 14 17.569 -1.291 1.296 1.00 0.38 C ATOM 95 C ALA A 14 16.728 -1.110 2.546 1.00 0.39 C ATOM 96 O ALA A 14 15.811 -0.293 2.577 1.00 0.36 O ATOM 97 CB ALA A 14 17.020 -2.427 0.444 1.00 0.36 C ATOM 0 H ALA A 14 19.309 -2.449 1.340 1.00 0.46 H new ATOM 0 HA ALA A 14 17.524 -0.371 0.712 1.00 0.38 H new ATOM 0 HB1 ALA A 14 15.981 -2.220 0.188 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.608 -2.514 -0.469 1.00 0.36 H new ATOM 0 HB3 ALA A 14 17.077 -3.361 1.003 1.00 0.36 H new ATOM 103 N LEU A 15 17.039 -1.883 3.580 1.00 0.45 N ATOM 104 CA LEU A 15 16.385 -1.703 4.870 1.00 0.47 C ATOM 105 C LEU A 15 16.692 -0.323 5.426 1.00 0.49 C ATOM 106 O LEU A 15 15.815 0.346 5.967 1.00 0.49 O ATOM 107 CB LEU A 15 16.823 -2.780 5.862 1.00 0.54 C ATOM 108 CG LEU A 15 15.960 -4.040 5.875 1.00 1.13 C ATOM 109 CD1 LEU A 15 16.598 -5.112 6.740 1.00 1.98 C ATOM 110 CD2 LEU A 15 14.559 -3.718 6.381 1.00 1.31 C ATOM 0 H LEU A 15 17.731 -2.632 3.552 1.00 0.45 H new ATOM 0 HA LEU A 15 15.309 -1.795 4.721 1.00 0.47 H new ATOM 0 HB2 LEU A 15 17.850 -3.065 5.635 1.00 0.54 H new ATOM 0 HB3 LEU A 15 16.825 -2.350 6.864 1.00 0.54 H new ATOM 0 HG LEU A 15 15.885 -4.417 4.855 1.00 1.13 H new ATOM 0 HD11 LEU A 15 15.970 -6.003 6.738 1.00 1.98 H new ATOM 0 HD12 LEU A 15 17.582 -5.361 6.344 1.00 1.98 H new ATOM 0 HD13 LEU A 15 16.701 -4.743 7.760 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.956 -4.626 6.384 1.00 1.31 H new ATOM 0 HD22 LEU A 15 14.621 -3.319 7.394 1.00 1.31 H new ATOM 0 HD23 LEU A 15 14.097 -2.978 5.727 1.00 1.31 H new ATOM 122 N LYS A 16 17.939 0.100 5.269 1.00 0.51 N ATOM 123 CA LYS A 16 18.361 1.419 5.715 1.00 0.54 C ATOM 124 C LYS A 16 17.619 2.498 4.931 1.00 0.48 C ATOM 125 O LYS A 16 17.147 3.480 5.501 1.00 0.49 O ATOM 126 CB LYS A 16 19.874 1.576 5.536 1.00 0.62 C ATOM 127 CG LYS A 16 20.456 2.808 6.211 1.00 0.79 C ATOM 128 CD LYS A 16 20.349 2.720 7.725 1.00 1.64 C ATOM 129 CE LYS A 16 21.091 3.857 8.402 1.00 1.89 C ATOM 130 NZ LYS A 16 21.071 3.732 9.884 1.00 2.88 N ATOM 0 H LYS A 16 18.677 -0.454 4.835 1.00 0.51 H new ATOM 0 HA LYS A 16 18.122 1.529 6.773 1.00 0.54 H new ATOM 0 HB2 LYS A 16 20.370 0.690 5.932 1.00 0.62 H new ATOM 0 HB3 LYS A 16 20.100 1.618 4.471 1.00 0.62 H new ATOM 0 HG2 LYS A 16 21.502 2.920 5.926 1.00 0.79 H new ATOM 0 HG3 LYS A 16 19.933 3.697 5.860 1.00 0.79 H new ATOM 0 HD2 LYS A 16 19.300 2.743 8.019 1.00 1.64 H new ATOM 0 HD3 LYS A 16 20.754 1.767 8.065 1.00 1.64 H new ATOM 0 HE2 LYS A 16 22.124 3.874 8.054 1.00 1.89 H new ATOM 0 HE3 LYS A 16 20.641 4.807 8.112 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 21.589 4.529 10.307 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 20.087 3.742 10.220 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 21.523 2.838 10.163 1.00 2.88 H new ATOM 144 N GLU A 17 17.508 2.298 3.621 1.00 0.42 N ATOM 145 CA GLU A 17 16.783 3.218 2.755 1.00 0.38 C ATOM 146 C GLU A 17 15.298 3.268 3.116 1.00 0.35 C ATOM 147 O GLU A 17 14.693 4.338 3.106 1.00 0.34 O ATOM 148 CB GLU A 17 16.979 2.834 1.283 1.00 0.35 C ATOM 149 CG GLU A 17 18.382 3.106 0.769 1.00 0.39 C ATOM 150 CD GLU A 17 18.903 4.476 1.169 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.295 5.487 0.764 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.910 4.552 1.908 1.00 0.54 O ATOM 0 H GLU A 17 17.915 1.500 3.134 1.00 0.42 H new ATOM 0 HA GLU A 17 17.190 4.218 2.907 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.754 1.775 1.159 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.264 3.386 0.673 1.00 0.35 H new ATOM 0 HG2 GLU A 17 19.058 2.340 1.150 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.388 3.024 -0.318 1.00 0.39 H new ATOM 159 N LYS A 18 14.713 2.122 3.457 1.00 0.34 N ATOM 160 CA LYS A 18 13.315 2.094 3.880 1.00 0.34 C ATOM 161 C LYS A 18 13.143 2.902 5.168 1.00 0.40 C ATOM 162 O LYS A 18 12.182 3.656 5.317 1.00 0.41 O ATOM 163 CB LYS A 18 12.811 0.657 4.088 1.00 0.34 C ATOM 164 CG LYS A 18 11.325 0.595 4.417 1.00 0.33 C ATOM 165 CD LYS A 18 10.863 -0.786 4.870 1.00 0.36 C ATOM 166 CE LYS A 18 11.675 -1.306 6.045 1.00 0.50 C ATOM 167 NZ LYS A 18 10.953 -2.357 6.805 1.00 0.80 N ATOM 0 H LYS A 18 15.177 1.213 3.449 1.00 0.34 H new ATOM 0 HA LYS A 18 12.718 2.542 3.086 1.00 0.34 H new ATOM 0 HB2 LYS A 18 13.004 0.075 3.187 1.00 0.34 H new ATOM 0 HB3 LYS A 18 13.377 0.191 4.895 1.00 0.34 H new ATOM 0 HG2 LYS A 18 11.103 1.319 5.201 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.753 0.891 3.538 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.810 -0.742 5.149 1.00 0.36 H new ATOM 0 HD3 LYS A 18 10.943 -1.485 4.038 1.00 0.36 H new ATOM 0 HE2 LYS A 18 12.621 -1.708 5.681 1.00 0.50 H new ATOM 0 HE3 LYS A 18 11.916 -0.479 6.712 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 11.545 -2.682 7.596 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 10.063 -1.968 7.175 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 10.745 -3.159 6.176 1.00 0.80 H new ATOM 181 N GLU A 19 14.093 2.751 6.084 1.00 0.46 N ATOM 182 CA GLU A 19 14.080 3.491 7.342 1.00 0.52 C ATOM 183 C GLU A 19 14.311 4.973 7.109 1.00 0.50 C ATOM 184 O GLU A 19 13.662 5.807 7.730 1.00 0.53 O ATOM 185 CB GLU A 19 15.145 2.948 8.287 1.00 0.58 C ATOM 186 CG GLU A 19 14.897 1.514 8.715 1.00 0.63 C ATOM 187 CD GLU A 19 13.612 1.359 9.496 1.00 1.32 C ATOM 188 OE1 GLU A 19 13.627 1.550 10.728 1.00 1.29 O ATOM 189 OE2 GLU A 19 12.574 1.043 8.875 1.00 2.32 O ATOM 0 H GLU A 19 14.887 2.119 5.978 1.00 0.46 H new ATOM 0 HA GLU A 19 13.097 3.362 7.794 1.00 0.52 H new ATOM 0 HB2 GLU A 19 16.118 3.011 7.800 1.00 0.58 H new ATOM 0 HB3 GLU A 19 15.191 3.581 9.173 1.00 0.58 H new ATOM 0 HG2 GLU A 19 14.862 0.875 7.832 1.00 0.63 H new ATOM 0 HG3 GLU A 19 15.733 1.170 9.324 1.00 0.63 H new ATOM 196 N LEU A 20 15.241 5.294 6.221 1.00 0.47 N ATOM 197 CA LEU A 20 15.532 6.680 5.883 1.00 0.46 C ATOM 198 C LEU A 20 14.320 7.344 5.240 1.00 0.43 C ATOM 199 O LEU A 20 14.024 8.509 5.506 1.00 0.45 O ATOM 200 CB LEU A 20 16.741 6.759 4.947 1.00 0.45 C ATOM 201 CG LEU A 20 18.057 7.184 5.602 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.965 8.620 6.084 1.00 0.58 C ATOM 203 CD2 LEU A 20 18.412 6.256 6.755 1.00 0.60 C ATOM 0 H LEU A 20 15.809 4.611 5.720 1.00 0.47 H new ATOM 0 HA LEU A 20 15.768 7.214 6.803 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.885 5.782 4.485 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.512 7.461 4.145 1.00 0.45 H new ATOM 0 HG LEU A 20 18.849 7.116 4.856 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.908 8.909 6.548 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.761 9.276 5.237 1.00 0.58 H new ATOM 0 HD13 LEU A 20 17.160 8.708 6.813 1.00 0.58 H new ATOM 0 HD21 LEU A 20 19.351 6.578 7.205 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.621 6.288 7.504 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.519 5.237 6.383 1.00 0.60 H new ATOM 215 N GLY A 21 13.627 6.597 4.391 1.00 0.39 N ATOM 216 CA GLY A 21 12.395 7.090 3.812 1.00 0.37 C ATOM 217 C GLY A 21 11.326 7.269 4.866 1.00 0.40 C ATOM 218 O GLY A 21 10.766 8.350 5.007 1.00 0.41 O ATOM 0 H GLY A 21 13.896 5.659 4.094 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.580 8.041 3.313 1.00 0.37 H new ATOM 0 HA3 GLY A 21 12.045 6.394 3.050 1.00 0.37 H new ATOM 222 N ASN A 22 11.065 6.215 5.626 1.00 0.43 N ATOM 223 CA ASN A 22 10.076 6.265 6.702 1.00 0.47 C ATOM 224 C ASN A 22 10.397 7.384 7.691 1.00 0.53 C ATOM 225 O ASN A 22 9.506 8.034 8.227 1.00 0.56 O ATOM 226 CB ASN A 22 10.034 4.929 7.447 1.00 0.52 C ATOM 227 CG ASN A 22 8.839 4.810 8.378 1.00 0.59 C ATOM 228 OD1 ASN A 22 7.782 5.394 8.135 1.00 1.27 O ATOM 229 ND2 ASN A 22 8.997 4.046 9.446 1.00 1.23 N ATOM 0 H ASN A 22 11.524 5.310 5.520 1.00 0.43 H new ATOM 0 HA ASN A 22 9.104 6.463 6.251 1.00 0.47 H new ATOM 0 HB2 ASN A 22 10.006 4.115 6.722 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.951 4.811 8.024 1.00 0.52 H new ATOM 0 HD21 ASN A 22 8.227 3.924 10.104 1.00 1.23 H new ATOM 0 HD22 ASN A 22 9.889 3.579 9.612 1.00 1.23 H new ATOM 236 N ASP A 23 11.679 7.600 7.924 1.00 0.54 N ATOM 237 CA ASP A 23 12.139 8.654 8.823 1.00 0.59 C ATOM 238 C ASP A 23 11.692 10.019 8.318 1.00 0.58 C ATOM 239 O ASP A 23 11.063 10.784 9.049 1.00 0.62 O ATOM 240 CB ASP A 23 13.661 8.607 8.937 1.00 0.61 C ATOM 241 CG ASP A 23 14.207 9.546 9.997 1.00 0.74 C ATOM 242 OD1 ASP A 23 14.071 10.775 9.831 1.00 0.79 O ATOM 243 OD2 ASP A 23 14.762 9.065 11.010 1.00 0.93 O ATOM 0 H ASP A 23 12.430 7.056 7.500 1.00 0.54 H new ATOM 0 HA ASP A 23 11.701 8.492 9.808 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.971 7.588 9.168 1.00 0.61 H new ATOM 0 HB3 ASP A 23 14.100 8.863 7.973 1.00 0.61 H new ATOM 248 N ALA A 24 12.002 10.306 7.059 1.00 0.53 N ATOM 249 CA ALA A 24 11.585 11.553 6.426 1.00 0.53 C ATOM 250 C ALA A 24 10.064 11.639 6.382 1.00 0.53 C ATOM 251 O ALA A 24 9.480 12.714 6.526 1.00 0.58 O ATOM 252 CB ALA A 24 12.171 11.638 5.028 1.00 0.49 C ATOM 0 H ALA A 24 12.543 9.689 6.453 1.00 0.53 H new ATOM 0 HA ALA A 24 11.955 12.395 7.011 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.858 12.570 4.558 1.00 0.49 H new ATOM 0 HB2 ALA A 24 13.259 11.609 5.087 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.818 10.795 4.434 1.00 0.49 H new ATOM 258 N TYR A 25 9.440 10.483 6.208 1.00 0.48 N ATOM 259 CA TYR A 25 7.987 10.346 6.209 1.00 0.49 C ATOM 260 C TYR A 25 7.392 10.923 7.495 1.00 0.59 C ATOM 261 O TYR A 25 6.359 11.593 7.471 1.00 0.63 O ATOM 262 CB TYR A 25 7.641 8.860 6.073 1.00 0.46 C ATOM 263 CG TYR A 25 6.171 8.538 5.934 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.352 8.519 7.049 1.00 0.64 C ATOM 265 CD2 TYR A 25 5.601 8.284 4.694 1.00 0.40 C ATOM 266 CE1 TYR A 25 4.003 8.253 6.941 1.00 0.68 C ATOM 267 CE2 TYR A 25 4.253 8.012 4.573 1.00 0.45 C ATOM 268 CZ TYR A 25 3.483 7.893 5.661 1.00 0.54 C ATOM 269 OH TYR A 25 2.111 7.734 5.578 1.00 0.63 O ATOM 0 H TYR A 25 9.932 9.602 6.060 1.00 0.48 H new ATOM 0 HA TYR A 25 7.563 10.902 5.373 1.00 0.49 H new ATOM 0 HB2 TYR A 25 8.165 8.462 5.204 1.00 0.46 H new ATOM 0 HB3 TYR A 25 8.028 8.335 6.946 1.00 0.46 H new ATOM 0 HD1 TYR A 25 5.777 8.716 8.022 1.00 0.64 H new ATOM 0 HD2 TYR A 25 6.222 8.299 3.810 1.00 0.40 H new ATOM 0 HE1 TYR A 25 3.356 8.315 7.803 1.00 0.68 H new ATOM 0 HE2 TYR A 25 3.816 7.894 3.592 1.00 0.45 H new ATOM 0 HH TYR A 25 1.865 7.490 4.661 1.00 0.63 H new ATOM 279 N LYS A 26 8.071 10.671 8.610 1.00 0.65 N ATOM 280 CA LYS A 26 7.625 11.136 9.920 1.00 0.77 C ATOM 281 C LYS A 26 7.690 12.657 10.034 1.00 0.81 C ATOM 282 O LYS A 26 6.935 13.262 10.791 1.00 0.94 O ATOM 283 CB LYS A 26 8.469 10.496 11.030 1.00 0.82 C ATOM 284 CG LYS A 26 7.875 9.219 11.609 1.00 0.86 C ATOM 285 CD LYS A 26 7.673 8.154 10.545 1.00 1.03 C ATOM 286 CE LYS A 26 7.207 6.843 11.147 1.00 0.90 C ATOM 287 NZ LYS A 26 5.901 6.979 11.843 1.00 1.62 N ATOM 0 H LYS A 26 8.942 10.141 8.632 1.00 0.65 H new ATOM 0 HA LYS A 26 6.584 10.834 10.035 1.00 0.77 H new ATOM 0 HB2 LYS A 26 9.461 10.275 10.635 1.00 0.82 H new ATOM 0 HB3 LYS A 26 8.600 11.220 11.834 1.00 0.82 H new ATOM 0 HG2 LYS A 26 8.533 8.834 12.388 1.00 0.86 H new ATOM 0 HG3 LYS A 26 6.919 9.445 12.082 1.00 0.86 H new ATOM 0 HD2 LYS A 26 6.940 8.501 9.817 1.00 1.03 H new ATOM 0 HD3 LYS A 26 8.607 7.996 10.006 1.00 1.03 H new ATOM 0 HE2 LYS A 26 7.121 6.094 10.360 1.00 0.90 H new ATOM 0 HE3 LYS A 26 7.956 6.482 11.851 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 5.556 6.038 12.121 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 6.020 7.569 12.692 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 5.212 7.426 11.205 1.00 1.62 H new ATOM 301 N LYS A 27 8.585 13.276 9.278 1.00 0.75 N ATOM 302 CA LYS A 27 8.755 14.723 9.341 1.00 0.80 C ATOM 303 C LYS A 27 8.013 15.413 8.202 1.00 0.79 C ATOM 304 O LYS A 27 8.300 16.566 7.879 1.00 0.84 O ATOM 305 CB LYS A 27 10.237 15.111 9.295 1.00 0.80 C ATOM 306 CG LYS A 27 11.015 14.786 10.563 1.00 1.16 C ATOM 307 CD LYS A 27 11.343 13.307 10.670 1.00 1.58 C ATOM 308 CE LYS A 27 12.164 13.010 11.911 1.00 1.93 C ATOM 309 NZ LYS A 27 12.600 11.589 11.969 1.00 2.31 N ATOM 0 H LYS A 27 9.202 12.804 8.617 1.00 0.75 H new ATOM 0 HA LYS A 27 8.334 15.054 10.290 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.707 14.600 8.455 1.00 0.80 H new ATOM 0 HB3 LYS A 27 10.313 16.181 9.101 1.00 0.80 H new ATOM 0 HG2 LYS A 27 11.939 15.364 10.579 1.00 1.16 H new ATOM 0 HG3 LYS A 27 10.433 15.092 11.433 1.00 1.16 H new ATOM 0 HD2 LYS A 27 10.419 12.729 10.696 1.00 1.58 H new ATOM 0 HD3 LYS A 27 11.893 12.990 9.784 1.00 1.58 H new ATOM 0 HE2 LYS A 27 13.040 13.658 11.929 1.00 1.93 H new ATOM 0 HE3 LYS A 27 11.576 13.244 12.798 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 12.898 11.357 12.938 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 11.810 10.972 11.692 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 13.397 11.444 11.317 1.00 2.31 H new ATOM 323 N LYS A 28 7.065 14.697 7.596 1.00 0.77 N ATOM 324 CA LYS A 28 6.293 15.210 6.462 1.00 0.80 C ATOM 325 C LYS A 28 7.189 15.534 5.271 1.00 0.71 C ATOM 326 O LYS A 28 6.785 16.231 4.340 1.00 0.75 O ATOM 327 CB LYS A 28 5.475 16.425 6.884 1.00 0.96 C ATOM 328 CG LYS A 28 4.406 16.091 7.909 1.00 1.07 C ATOM 329 CD LYS A 28 3.764 17.343 8.468 1.00 1.24 C ATOM 330 CE LYS A 28 2.620 17.011 9.413 1.00 1.77 C ATOM 331 NZ LYS A 28 3.080 16.243 10.601 1.00 2.39 N ATOM 0 H LYS A 28 6.811 13.749 7.875 1.00 0.77 H new ATOM 0 HA LYS A 28 5.606 14.427 6.141 1.00 0.80 H new ATOM 0 HB2 LYS A 28 6.143 17.181 7.297 1.00 0.96 H new ATOM 0 HB3 LYS A 28 5.003 16.863 6.004 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.643 15.463 7.449 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.847 15.513 8.721 1.00 1.07 H new ATOM 0 HD2 LYS A 28 4.514 17.932 8.996 1.00 1.24 H new ATOM 0 HD3 LYS A 28 3.393 17.959 7.649 1.00 1.24 H new ATOM 0 HE2 LYS A 28 2.142 17.934 9.741 1.00 1.77 H new ATOM 0 HE3 LYS A 28 1.865 16.434 8.879 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 2.304 16.170 11.289 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 3.372 15.289 10.306 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 3.886 16.732 11.040 1.00 2.39 H new ATOM 345 N ASP A 29 8.400 14.996 5.300 1.00 0.64 N ATOM 346 CA ASP A 29 9.314 15.089 4.180 1.00 0.59 C ATOM 347 C ASP A 29 9.012 13.968 3.205 1.00 0.50 C ATOM 348 O ASP A 29 9.875 13.158 2.886 1.00 0.47 O ATOM 349 CB ASP A 29 10.761 15.000 4.666 1.00 0.60 C ATOM 350 CG ASP A 29 11.339 16.349 5.032 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.503 17.194 4.126 1.00 1.62 O ATOM 352 OD2 ASP A 29 11.638 16.580 6.223 1.00 1.39 O ATOM 0 H ASP A 29 8.772 14.485 6.100 1.00 0.64 H new ATOM 0 HA ASP A 29 9.185 16.049 3.681 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.809 14.342 5.533 1.00 0.60 H new ATOM 0 HB3 ASP A 29 11.374 14.546 3.887 1.00 0.60 H new ATOM 357 N PHE A 30 7.772 13.940 2.737 1.00 0.49 N ATOM 358 CA PHE A 30 7.253 12.825 1.957 1.00 0.44 C ATOM 359 C PHE A 30 8.022 12.613 0.654 1.00 0.42 C ATOM 360 O PHE A 30 8.213 11.479 0.228 1.00 0.43 O ATOM 361 CB PHE A 30 5.756 13.020 1.709 1.00 0.45 C ATOM 362 CG PHE A 30 4.951 12.946 2.980 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.793 11.748 3.658 1.00 0.52 C ATOM 364 CD2 PHE A 30 4.329 14.077 3.482 1.00 0.64 C ATOM 365 CE1 PHE A 30 4.036 11.681 4.811 1.00 0.58 C ATOM 366 CE2 PHE A 30 3.572 14.016 4.636 1.00 0.71 C ATOM 367 CZ PHE A 30 3.506 12.801 5.351 1.00 0.66 C ATOM 0 H PHE A 30 7.097 14.690 2.887 1.00 0.49 H new ATOM 0 HA PHE A 30 7.397 11.913 2.537 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.592 13.987 1.233 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.403 12.259 1.013 1.00 0.45 H new ATOM 0 HD1 PHE A 30 5.268 10.855 3.280 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.437 15.019 2.965 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.866 10.726 5.285 1.00 0.58 H new ATOM 0 HE2 PHE A 30 3.038 14.887 4.986 1.00 0.71 H new ATOM 0 HZ PHE A 30 3.035 12.766 6.322 1.00 0.66 H new ATOM 377 N ASP A 31 8.488 13.688 0.038 1.00 0.46 N ATOM 378 CA ASP A 31 9.317 13.563 -1.160 1.00 0.48 C ATOM 379 C ASP A 31 10.614 12.839 -0.829 1.00 0.44 C ATOM 380 O ASP A 31 11.018 11.908 -1.523 1.00 0.42 O ATOM 381 CB ASP A 31 9.637 14.936 -1.755 1.00 0.57 C ATOM 382 CG ASP A 31 10.280 15.870 -0.749 1.00 1.30 C ATOM 383 OD1 ASP A 31 9.549 16.435 0.087 1.00 1.61 O ATOM 384 OD2 ASP A 31 11.518 16.039 -0.784 1.00 1.93 O ATOM 0 H ASP A 31 8.312 14.647 0.339 1.00 0.46 H new ATOM 0 HA ASP A 31 8.756 12.987 -1.896 1.00 0.48 H new ATOM 0 HB2 ASP A 31 10.304 14.812 -2.608 1.00 0.57 H new ATOM 0 HB3 ASP A 31 8.719 15.388 -2.131 1.00 0.57 H new ATOM 389 N THR A 32 11.247 13.266 0.251 1.00 0.45 N ATOM 390 CA THR A 32 12.485 12.672 0.714 1.00 0.45 C ATOM 391 C THR A 32 12.229 11.249 1.205 1.00 0.39 C ATOM 392 O THR A 32 13.051 10.348 1.014 1.00 0.38 O ATOM 393 CB THR A 32 13.071 13.522 1.852 1.00 0.50 C ATOM 394 OG1 THR A 32 13.186 14.889 1.426 1.00 0.57 O ATOM 395 CG2 THR A 32 14.427 13.006 2.287 1.00 0.52 C ATOM 0 H THR A 32 10.914 14.036 0.831 1.00 0.45 H new ATOM 0 HA THR A 32 13.197 12.637 -0.111 1.00 0.45 H new ATOM 0 HB THR A 32 12.396 13.456 2.705 1.00 0.50 H new ATOM 0 HG1 THR A 32 13.558 15.428 2.155 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.812 13.630 3.093 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.330 11.979 2.638 1.00 0.52 H new ATOM 0 HG23 THR A 32 15.116 13.037 1.443 1.00 0.52 H new ATOM 403 N ALA A 33 11.074 11.063 1.827 1.00 0.38 N ATOM 404 CA ALA A 33 10.636 9.754 2.278 1.00 0.36 C ATOM 405 C ALA A 33 10.557 8.796 1.109 1.00 0.30 C ATOM 406 O ALA A 33 11.208 7.749 1.092 1.00 0.28 O ATOM 407 CB ALA A 33 9.278 9.857 2.949 1.00 0.39 C ATOM 0 H ALA A 33 10.416 11.815 2.032 1.00 0.38 H new ATOM 0 HA ALA A 33 11.361 9.376 2.999 1.00 0.36 H new ATOM 0 HB1 ALA A 33 8.961 8.869 3.282 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.346 10.525 3.807 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.550 10.251 2.239 1.00 0.39 H new ATOM 413 N LEU A 34 9.775 9.189 0.118 1.00 0.29 N ATOM 414 CA LEU A 34 9.559 8.377 -1.059 1.00 0.26 C ATOM 415 C LEU A 34 10.865 8.168 -1.806 1.00 0.26 C ATOM 416 O LEU A 34 11.067 7.146 -2.448 1.00 0.26 O ATOM 417 CB LEU A 34 8.532 9.046 -1.960 1.00 0.28 C ATOM 418 CG LEU A 34 7.748 8.097 -2.856 1.00 0.33 C ATOM 419 CD1 LEU A 34 8.428 7.917 -4.194 1.00 0.81 C ATOM 420 CD2 LEU A 34 7.595 6.748 -2.193 1.00 0.53 C ATOM 0 H LEU A 34 9.275 10.078 0.110 1.00 0.29 H new ATOM 0 HA LEU A 34 9.182 7.401 -0.754 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.828 9.598 -1.337 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.042 9.776 -2.588 1.00 0.28 H new ATOM 0 HG LEU A 34 6.765 8.539 -3.018 1.00 0.33 H new ATOM 0 HD11 LEU A 34 7.843 7.234 -4.810 1.00 0.81 H new ATOM 0 HD12 LEU A 34 8.506 8.882 -4.695 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.426 7.505 -4.043 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.032 6.083 -2.848 1.00 0.53 H new ATOM 0 HD22 LEU A 34 8.580 6.322 -2.003 1.00 0.53 H new ATOM 0 HD23 LEU A 34 7.062 6.865 -1.249 1.00 0.53 H new ATOM 432 N LYS A 35 11.749 9.144 -1.697 1.00 0.31 N ATOM 433 CA LYS A 35 13.042 9.100 -2.356 1.00 0.33 C ATOM 434 C LYS A 35 13.857 7.901 -1.872 1.00 0.29 C ATOM 435 O LYS A 35 14.412 7.151 -2.677 1.00 0.30 O ATOM 436 CB LYS A 35 13.801 10.396 -2.056 1.00 0.40 C ATOM 437 CG LYS A 35 14.575 10.969 -3.229 1.00 0.49 C ATOM 438 CD LYS A 35 13.650 11.565 -4.282 1.00 0.53 C ATOM 439 CE LYS A 35 12.956 12.830 -3.782 1.00 0.60 C ATOM 440 NZ LYS A 35 12.073 13.422 -4.819 1.00 1.41 N ATOM 0 H LYS A 35 11.590 9.990 -1.149 1.00 0.31 H new ATOM 0 HA LYS A 35 12.888 8.998 -3.430 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.089 11.145 -1.709 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.495 10.212 -1.236 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.261 11.737 -2.871 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.182 10.185 -3.681 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.224 11.797 -5.180 1.00 0.53 H new ATOM 0 HD3 LYS A 35 12.899 10.827 -4.565 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.368 12.595 -2.895 1.00 0.60 H new ATOM 0 HE3 LYS A 35 13.706 13.562 -3.483 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 11.620 14.279 -4.441 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 12.638 13.669 -5.656 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 11.341 12.733 -5.087 1.00 1.41 H new ATOM 454 N HIS A 36 13.919 7.717 -0.557 1.00 0.29 N ATOM 455 CA HIS A 36 14.669 6.600 0.015 1.00 0.29 C ATOM 456 C HIS A 36 13.897 5.308 -0.135 1.00 0.25 C ATOM 457 O HIS A 36 14.482 4.248 -0.315 1.00 0.27 O ATOM 458 CB HIS A 36 14.980 6.819 1.487 1.00 0.38 C ATOM 459 CG HIS A 36 15.905 7.950 1.751 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.265 7.865 1.572 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.656 9.197 2.192 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.818 9.019 1.892 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.861 9.849 2.272 1.00 0.46 N ATOM 0 H HIS A 36 13.464 8.320 0.129 1.00 0.29 H new ATOM 0 HA HIS A 36 15.609 6.538 -0.533 1.00 0.29 H new ATOM 0 HB2 HIS A 36 14.047 6.995 2.022 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.414 5.906 1.895 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.767 7.040 1.244 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.688 9.608 2.437 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.873 9.247 1.851 1.00 0.47 H new ATOM 472 N TYR A 37 12.580 5.397 -0.043 1.00 0.22 N ATOM 473 CA TYR A 37 11.732 4.245 -0.288 1.00 0.21 C ATOM 474 C TYR A 37 11.967 3.718 -1.697 1.00 0.21 C ATOM 475 O TYR A 37 12.084 2.511 -1.917 1.00 0.24 O ATOM 476 CB TYR A 37 10.264 4.617 -0.119 1.00 0.22 C ATOM 477 CG TYR A 37 9.766 4.572 1.307 1.00 0.23 C ATOM 478 CD1 TYR A 37 9.949 3.440 2.085 1.00 0.33 C ATOM 479 CD2 TYR A 37 9.070 5.638 1.860 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.459 3.374 3.372 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.565 5.574 3.140 1.00 0.41 C ATOM 482 CZ TYR A 37 8.763 4.441 3.891 1.00 0.36 C ATOM 483 OH TYR A 37 8.238 4.361 5.157 1.00 0.48 O ATOM 0 H TYR A 37 12.078 6.252 0.199 1.00 0.22 H new ATOM 0 HA TYR A 37 11.984 3.470 0.436 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.109 5.621 -0.513 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.659 3.941 -0.723 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.484 2.596 1.676 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.922 6.534 1.276 1.00 0.37 H new ATOM 0 HE1 TYR A 37 9.621 2.489 3.970 1.00 0.40 H new ATOM 0 HE2 TYR A 37 8.017 6.409 3.550 1.00 0.41 H new ATOM 0 HH TYR A 37 7.296 4.630 5.138 1.00 0.48 H new ATOM 493 N ASP A 38 12.035 4.646 -2.638 1.00 0.25 N ATOM 494 CA ASP A 38 12.320 4.338 -4.033 1.00 0.31 C ATOM 495 C ASP A 38 13.718 3.748 -4.157 1.00 0.30 C ATOM 496 O ASP A 38 13.947 2.795 -4.903 1.00 0.32 O ATOM 497 CB ASP A 38 12.236 5.617 -4.864 1.00 0.42 C ATOM 498 CG ASP A 38 12.041 5.344 -6.341 1.00 0.78 C ATOM 499 OD1 ASP A 38 10.883 5.148 -6.761 1.00 0.68 O ATOM 500 OD2 ASP A 38 13.041 5.307 -7.090 1.00 1.51 O ATOM 0 H ASP A 38 11.894 5.640 -2.456 1.00 0.25 H new ATOM 0 HA ASP A 38 11.590 3.615 -4.396 1.00 0.31 H new ATOM 0 HB2 ASP A 38 11.410 6.228 -4.500 1.00 0.42 H new ATOM 0 HB3 ASP A 38 13.148 6.197 -4.723 1.00 0.42 H new ATOM 505 N LYS A 39 14.647 4.332 -3.408 1.00 0.30 N ATOM 506 CA LYS A 39 16.020 3.853 -3.356 1.00 0.32 C ATOM 507 C LYS A 39 16.059 2.422 -2.828 1.00 0.29 C ATOM 508 O LYS A 39 16.763 1.576 -3.364 1.00 0.32 O ATOM 509 CB LYS A 39 16.859 4.767 -2.461 1.00 0.35 C ATOM 510 CG LYS A 39 18.344 4.460 -2.503 1.00 0.41 C ATOM 511 CD LYS A 39 18.923 4.722 -3.881 1.00 0.47 C ATOM 512 CE LYS A 39 20.386 4.331 -3.948 1.00 0.54 C ATOM 513 NZ LYS A 39 21.247 5.212 -3.113 1.00 1.25 N ATOM 0 H LYS A 39 14.469 5.148 -2.822 1.00 0.30 H new ATOM 0 HA LYS A 39 16.436 3.866 -4.363 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.702 5.802 -2.764 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.507 4.678 -1.433 1.00 0.35 H new ATOM 0 HG2 LYS A 39 18.865 5.071 -1.765 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.510 3.418 -2.229 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.360 4.161 -4.627 1.00 0.47 H new ATOM 0 HD3 LYS A 39 18.815 5.778 -4.128 1.00 0.47 H new ATOM 0 HE2 LYS A 39 20.499 3.298 -3.618 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.724 4.373 -4.984 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.245 4.959 -3.257 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 21.098 6.204 -3.387 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 21.000 5.089 -2.110 1.00 1.25 H new ATOM 527 N ALA A 40 15.273 2.155 -1.794 1.00 0.25 N ATOM 528 CA ALA A 40 15.192 0.822 -1.206 1.00 0.24 C ATOM 529 C ALA A 40 14.677 -0.194 -2.221 1.00 0.22 C ATOM 530 O ALA A 40 15.013 -1.369 -2.153 1.00 0.26 O ATOM 531 CB ALA A 40 14.304 0.846 0.035 1.00 0.22 C ATOM 0 H ALA A 40 14.678 2.849 -1.341 1.00 0.25 H new ATOM 0 HA ALA A 40 16.195 0.516 -0.910 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.252 -0.155 0.464 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.723 1.534 0.769 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.302 1.175 -0.241 1.00 0.22 H new ATOM 537 N LYS A 41 13.875 0.274 -3.169 1.00 0.23 N ATOM 538 CA LYS A 41 13.366 -0.577 -4.241 1.00 0.26 C ATOM 539 C LYS A 41 14.442 -0.789 -5.302 1.00 0.31 C ATOM 540 O LYS A 41 14.479 -1.812 -5.981 1.00 0.37 O ATOM 541 CB LYS A 41 12.133 0.067 -4.865 1.00 0.29 C ATOM 542 CG LYS A 41 11.495 -0.730 -5.988 1.00 0.41 C ATOM 543 CD LYS A 41 10.231 -0.047 -6.481 1.00 0.78 C ATOM 544 CE LYS A 41 9.577 -0.816 -7.617 1.00 0.89 C ATOM 545 NZ LYS A 41 10.357 -0.723 -8.879 1.00 1.37 N ATOM 0 H LYS A 41 13.561 1.243 -3.218 1.00 0.23 H new ATOM 0 HA LYS A 41 13.092 -1.547 -3.826 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.389 0.226 -4.084 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.409 1.050 -5.248 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.201 -0.837 -6.811 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.258 -1.735 -5.638 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.526 0.051 -5.656 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.471 0.962 -6.817 1.00 0.78 H new ATOM 0 HE2 LYS A 41 9.473 -1.863 -7.332 1.00 0.89 H new ATOM 0 HE3 LYS A 41 8.572 -0.430 -7.784 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 9.841 -1.204 -9.643 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 10.493 0.277 -9.130 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 11.284 -1.176 -8.748 1.00 1.37 H new ATOM 559 N GLU A 42 15.311 0.198 -5.442 1.00 0.32 N ATOM 560 CA GLU A 42 16.442 0.105 -6.348 1.00 0.38 C ATOM 561 C GLU A 42 17.455 -0.882 -5.769 1.00 0.40 C ATOM 562 O GLU A 42 18.133 -1.612 -6.494 1.00 0.50 O ATOM 563 CB GLU A 42 17.056 1.500 -6.538 1.00 0.43 C ATOM 564 CG GLU A 42 17.949 1.647 -7.763 1.00 1.11 C ATOM 565 CD GLU A 42 19.379 1.212 -7.519 1.00 1.81 C ATOM 566 OE1 GLU A 42 20.098 1.904 -6.769 1.00 2.78 O ATOM 567 OE2 GLU A 42 19.782 0.162 -8.062 1.00 2.03 O ATOM 0 H GLU A 42 15.253 1.081 -4.934 1.00 0.32 H new ATOM 0 HA GLU A 42 16.126 -0.258 -7.326 1.00 0.38 H new ATOM 0 HB2 GLU A 42 16.249 2.230 -6.605 1.00 0.43 H new ATOM 0 HB3 GLU A 42 17.638 1.749 -5.650 1.00 0.43 H new ATOM 0 HG2 GLU A 42 17.532 1.058 -8.580 1.00 1.11 H new ATOM 0 HG3 GLU A 42 17.943 2.688 -8.085 1.00 1.11 H new ATOM 574 N LEU A 43 17.511 -0.916 -4.444 1.00 0.36 N ATOM 575 CA LEU A 43 18.401 -1.812 -3.720 1.00 0.39 C ATOM 576 C LEU A 43 17.812 -3.214 -3.627 1.00 0.39 C ATOM 577 O LEU A 43 18.506 -4.205 -3.866 1.00 0.49 O ATOM 578 CB LEU A 43 18.689 -1.259 -2.329 1.00 0.39 C ATOM 579 CG LEU A 43 19.847 -0.265 -2.262 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.631 0.858 -3.234 1.00 0.42 C ATOM 581 CD2 LEU A 43 19.988 0.291 -0.870 1.00 0.45 C ATOM 0 H LEU A 43 16.940 -0.323 -3.842 1.00 0.36 H new ATOM 0 HA LEU A 43 19.339 -1.879 -4.272 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.789 -0.773 -1.953 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.904 -2.092 -1.660 1.00 0.39 H new ATOM 0 HG LEU A 43 20.763 -0.794 -2.526 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.465 1.557 -3.173 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.567 0.457 -4.245 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.704 1.377 -2.990 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.818 0.997 -0.843 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.068 0.802 -0.587 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.181 -0.523 -0.171 1.00 0.45 H new ATOM 593 N ASP A 44 16.537 -3.301 -3.274 1.00 0.32 N ATOM 594 CA ASP A 44 15.851 -4.581 -3.257 1.00 0.33 C ATOM 595 C ASP A 44 14.445 -4.448 -3.835 1.00 0.32 C ATOM 596 O ASP A 44 13.497 -4.106 -3.127 1.00 0.33 O ATOM 597 CB ASP A 44 15.766 -5.159 -1.849 1.00 0.40 C ATOM 598 CG ASP A 44 15.459 -6.649 -1.846 1.00 0.46 C ATOM 599 OD1 ASP A 44 14.409 -7.045 -2.390 1.00 0.52 O ATOM 600 OD2 ASP A 44 16.262 -7.433 -1.297 1.00 1.11 O ATOM 0 H ASP A 44 15.962 -2.505 -2.998 1.00 0.32 H new ATOM 0 HA ASP A 44 16.435 -5.263 -3.874 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.709 -4.985 -1.331 1.00 0.40 H new ATOM 0 HB3 ASP A 44 14.993 -4.631 -1.290 1.00 0.40 H new ATOM 605 N PRO A 45 14.295 -4.718 -5.136 1.00 0.41 N ATOM 606 CA PRO A 45 13.006 -4.626 -5.826 1.00 0.49 C ATOM 607 C PRO A 45 12.071 -5.789 -5.507 1.00 0.47 C ATOM 608 O PRO A 45 10.877 -5.737 -5.811 1.00 0.59 O ATOM 609 CB PRO A 45 13.405 -4.667 -7.299 1.00 0.64 C ATOM 610 CG PRO A 45 14.657 -5.472 -7.310 1.00 0.63 C ATOM 611 CD PRO A 45 15.378 -5.118 -6.046 1.00 0.52 C ATOM 0 HA PRO A 45 12.453 -3.735 -5.528 1.00 0.49 H new ATOM 0 HB2 PRO A 45 12.629 -5.128 -7.910 1.00 0.64 H new ATOM 0 HB3 PRO A 45 13.571 -3.665 -7.696 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.436 -6.539 -7.349 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.264 -5.240 -8.185 1.00 0.63 H new ATOM 0 HD2 PRO A 45 15.940 -5.965 -5.653 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.090 -4.308 -6.203 1.00 0.52 H new ATOM 619 N THR A 46 12.614 -6.836 -4.902 1.00 0.39 N ATOM 620 CA THR A 46 11.834 -8.026 -4.597 1.00 0.40 C ATOM 621 C THR A 46 11.182 -7.916 -3.225 1.00 0.40 C ATOM 622 O THR A 46 10.240 -8.643 -2.907 1.00 0.42 O ATOM 623 CB THR A 46 12.698 -9.295 -4.658 1.00 0.42 C ATOM 624 OG1 THR A 46 13.821 -9.182 -3.772 1.00 0.45 O ATOM 625 CG2 THR A 46 13.191 -9.542 -6.075 1.00 0.46 C ATOM 0 H THR A 46 13.591 -6.885 -4.613 1.00 0.39 H new ATOM 0 HA THR A 46 11.054 -8.101 -5.355 1.00 0.40 H new ATOM 0 HB THR A 46 12.080 -10.137 -4.346 1.00 0.42 H new ATOM 0 HG1 THR A 46 13.729 -8.371 -3.230 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.801 -10.445 -6.096 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.337 -9.665 -6.741 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.789 -8.693 -6.405 1.00 0.46 H new ATOM 633 N ASN A 47 11.694 -7.009 -2.411 1.00 0.52 N ATOM 634 CA ASN A 47 11.112 -6.746 -1.111 1.00 0.56 C ATOM 635 C ASN A 47 9.889 -5.872 -1.277 1.00 0.56 C ATOM 636 O ASN A 47 9.984 -4.642 -1.295 1.00 0.89 O ATOM 637 CB ASN A 47 12.125 -6.081 -0.188 1.00 0.78 C ATOM 638 CG ASN A 47 11.669 -6.077 1.253 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.879 -7.040 1.986 1.00 2.13 O ATOM 640 ND2 ASN A 47 11.055 -4.988 1.673 1.00 1.47 N ATOM 0 H ASN A 47 12.513 -6.442 -2.630 1.00 0.52 H new ATOM 0 HA ASN A 47 10.819 -7.692 -0.655 1.00 0.56 H new ATOM 0 HB2 ASN A 47 13.079 -6.602 -0.264 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.295 -5.056 -0.516 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.735 -4.924 2.639 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.900 -4.210 1.032 1.00 1.47 H new ATOM 647 N MET A 48 8.742 -6.527 -1.403 1.00 0.29 N ATOM 648 CA MET A 48 7.480 -5.854 -1.679 1.00 0.26 C ATOM 649 C MET A 48 7.206 -4.734 -0.677 1.00 0.24 C ATOM 650 O MET A 48 6.538 -3.751 -0.998 1.00 0.24 O ATOM 651 CB MET A 48 6.327 -6.850 -1.649 1.00 0.22 C ATOM 652 CG MET A 48 5.910 -7.273 -0.249 1.00 0.19 C ATOM 653 SD MET A 48 4.344 -8.154 -0.236 1.00 1.05 S ATOM 654 CE MET A 48 3.262 -6.896 -0.909 1.00 0.27 C ATOM 0 H MET A 48 8.661 -7.540 -1.317 1.00 0.29 H new ATOM 0 HA MET A 48 7.560 -5.414 -2.673 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.468 -6.410 -2.155 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.612 -7.737 -2.215 1.00 0.22 H new ATOM 0 HG2 MET A 48 6.684 -7.908 0.181 1.00 0.19 H new ATOM 0 HG3 MET A 48 5.832 -6.390 0.386 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.422 -6.738 -0.232 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.815 -5.964 -1.024 1.00 0.27 H new ATOM 0 HE3 MET A 48 2.889 -7.219 -1.881 1.00 0.27 H new ATOM 664 N THR A 49 7.732 -4.892 0.533 1.00 0.24 N ATOM 665 CA THR A 49 7.518 -3.934 1.602 1.00 0.26 C ATOM 666 C THR A 49 7.953 -2.533 1.187 1.00 0.28 C ATOM 667 O THR A 49 7.252 -1.556 1.447 1.00 0.39 O ATOM 668 CB THR A 49 8.284 -4.359 2.864 1.00 0.29 C ATOM 669 OG1 THR A 49 8.068 -5.755 3.110 1.00 0.71 O ATOM 670 CG2 THR A 49 7.849 -3.548 4.073 1.00 0.64 C ATOM 0 H THR A 49 8.316 -5.686 0.796 1.00 0.24 H new ATOM 0 HA THR A 49 6.450 -3.914 1.817 1.00 0.26 H new ATOM 0 HB THR A 49 9.345 -4.174 2.699 1.00 0.29 H new ATOM 0 HG1 THR A 49 8.559 -6.025 3.914 1.00 0.71 H new ATOM 0 HG21 THR A 49 8.409 -3.873 4.950 1.00 0.64 H new ATOM 0 HG22 THR A 49 8.042 -2.491 3.890 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.784 -3.698 4.247 1.00 0.64 H new ATOM 678 N TYR A 50 9.081 -2.445 0.491 1.00 0.23 N ATOM 679 CA TYR A 50 9.620 -1.154 0.092 1.00 0.23 C ATOM 680 C TYR A 50 8.669 -0.464 -0.857 1.00 0.26 C ATOM 681 O TYR A 50 8.455 0.744 -0.783 1.00 0.42 O ATOM 682 CB TYR A 50 10.986 -1.310 -0.572 1.00 0.21 C ATOM 683 CG TYR A 50 12.010 -1.945 0.328 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.965 -1.753 1.702 1.00 0.28 C ATOM 685 CD2 TYR A 50 13.019 -2.736 -0.189 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.891 -2.339 2.532 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.955 -3.324 0.637 1.00 0.31 C ATOM 688 CZ TYR A 50 13.886 -3.123 1.997 1.00 0.34 C ATOM 689 OH TYR A 50 14.808 -3.724 2.821 1.00 0.44 O ATOM 0 H TYR A 50 9.636 -3.248 0.194 1.00 0.23 H new ATOM 0 HA TYR A 50 9.740 -0.548 0.990 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.879 -1.914 -1.473 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.345 -0.330 -0.886 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.189 -1.133 2.126 1.00 0.28 H new ATOM 0 HD2 TYR A 50 13.076 -2.896 -1.256 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.837 -2.184 3.600 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.738 -3.939 0.218 1.00 0.31 H new ATOM 0 HH TYR A 50 15.440 -4.243 2.281 1.00 0.44 H new ATOM 699 N ILE A 51 8.074 -1.259 -1.721 1.00 0.18 N ATOM 700 CA ILE A 51 7.168 -0.758 -2.727 1.00 0.19 C ATOM 701 C ILE A 51 5.851 -0.301 -2.092 1.00 0.19 C ATOM 702 O ILE A 51 5.305 0.744 -2.445 1.00 0.22 O ATOM 703 CB ILE A 51 6.887 -1.843 -3.784 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.197 -2.334 -4.413 1.00 0.25 C ATOM 705 CG2 ILE A 51 5.945 -1.313 -4.852 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.043 -3.590 -5.247 1.00 0.33 C ATOM 0 H ILE A 51 8.206 -2.270 -1.744 1.00 0.18 H new ATOM 0 HA ILE A 51 7.639 0.098 -3.210 1.00 0.19 H new ATOM 0 HB ILE A 51 6.407 -2.688 -3.292 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.608 -1.542 -5.039 1.00 0.25 H new ATOM 0 HG13 ILE A 51 8.921 -2.522 -3.621 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.757 -2.092 -5.591 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.003 -1.015 -4.391 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.398 -0.451 -5.341 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.012 -3.875 -5.658 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.662 -4.398 -4.622 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.344 -3.402 -6.062 1.00 0.33 H new ATOM 718 N THR A 52 5.354 -1.083 -1.140 1.00 0.20 N ATOM 719 CA THR A 52 4.105 -0.759 -0.460 1.00 0.24 C ATOM 720 C THR A 52 4.263 0.471 0.431 1.00 0.24 C ATOM 721 O THR A 52 3.335 1.265 0.581 1.00 0.27 O ATOM 722 CB THR A 52 3.601 -1.945 0.388 1.00 0.27 C ATOM 723 OG1 THR A 52 4.574 -2.312 1.376 1.00 0.28 O ATOM 724 CG2 THR A 52 3.300 -3.146 -0.482 1.00 0.26 C ATOM 0 H THR A 52 5.796 -1.945 -0.822 1.00 0.20 H new ATOM 0 HA THR A 52 3.369 -0.544 -1.235 1.00 0.24 H new ATOM 0 HB THR A 52 2.684 -1.626 0.884 1.00 0.27 H new ATOM 0 HG1 THR A 52 5.437 -1.906 1.152 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.947 -3.967 0.141 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.531 -2.885 -1.209 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.206 -3.452 -1.006 1.00 0.26 H new ATOM 732 N ASN A 53 5.446 0.625 1.011 1.00 0.25 N ATOM 733 CA ASN A 53 5.743 1.782 1.844 1.00 0.27 C ATOM 734 C ASN A 53 5.909 3.026 0.979 1.00 0.24 C ATOM 735 O ASN A 53 5.567 4.135 1.396 1.00 0.27 O ATOM 736 CB ASN A 53 6.995 1.527 2.679 1.00 0.34 C ATOM 737 CG ASN A 53 6.701 0.767 3.962 1.00 0.81 C ATOM 738 OD1 ASN A 53 6.606 -0.459 3.967 1.00 1.59 O ATOM 739 ND2 ASN A 53 6.581 1.490 5.065 1.00 1.42 N ATOM 0 H ASN A 53 6.216 -0.038 0.920 1.00 0.25 H new ATOM 0 HA ASN A 53 4.909 1.949 2.525 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.714 0.963 2.085 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.462 2.480 2.925 1.00 0.34 H new ATOM 0 HD21 ASN A 53 6.404 1.031 5.959 1.00 1.42 H new ATOM 0 HD22 ASN A 53 6.666 2.505 5.021 1.00 1.42 H new ATOM 746 N GLN A 54 6.434 2.834 -0.229 1.00 0.23 N ATOM 747 CA GLN A 54 6.455 3.892 -1.231 1.00 0.25 C ATOM 748 C GLN A 54 5.044 4.374 -1.495 1.00 0.25 C ATOM 749 O GLN A 54 4.752 5.571 -1.475 1.00 0.28 O ATOM 750 CB GLN A 54 7.026 3.383 -2.553 1.00 0.27 C ATOM 751 CG GLN A 54 8.527 3.252 -2.582 1.00 0.40 C ATOM 752 CD GLN A 54 9.015 2.669 -3.886 1.00 0.62 C ATOM 753 OE1 GLN A 54 8.385 2.826 -4.929 1.00 1.27 O ATOM 754 NE2 GLN A 54 10.144 2.004 -3.839 1.00 1.34 N ATOM 0 H GLN A 54 6.850 1.955 -0.536 1.00 0.23 H new ATOM 0 HA GLN A 54 7.079 4.699 -0.847 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.586 2.410 -2.773 1.00 0.27 H new ATOM 0 HB3 GLN A 54 6.718 4.060 -3.350 1.00 0.27 H new ATOM 0 HG2 GLN A 54 8.980 4.232 -2.430 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.852 2.619 -1.757 1.00 0.40 H new ATOM 0 HE21 GLN A 54 10.636 1.897 -2.952 1.00 1.34 H new ATOM 0 HE22 GLN A 54 10.530 1.594 -4.689 1.00 1.34 H new ATOM 763 N ALA A 55 4.179 3.410 -1.743 1.00 0.24 N ATOM 764 CA ALA A 55 2.787 3.666 -2.043 1.00 0.25 C ATOM 765 C ALA A 55 2.104 4.436 -0.914 1.00 0.26 C ATOM 766 O ALA A 55 1.170 5.201 -1.148 1.00 0.30 O ATOM 767 CB ALA A 55 2.095 2.344 -2.308 1.00 0.24 C ATOM 0 H ALA A 55 4.426 2.420 -1.742 1.00 0.24 H new ATOM 0 HA ALA A 55 2.720 4.294 -2.931 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.044 2.523 -2.536 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.570 1.848 -3.154 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.172 1.710 -1.425 1.00 0.24 H new ATOM 773 N ALA A 56 2.588 4.242 0.308 1.00 0.26 N ATOM 774 CA ALA A 56 2.061 4.959 1.461 1.00 0.27 C ATOM 775 C ALA A 56 2.390 6.441 1.380 1.00 0.26 C ATOM 776 O ALA A 56 1.617 7.282 1.842 1.00 0.30 O ATOM 777 CB ALA A 56 2.605 4.375 2.752 1.00 0.29 C ATOM 0 H ALA A 56 3.345 3.594 0.525 1.00 0.26 H new ATOM 0 HA ALA A 56 0.977 4.846 1.454 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.198 4.926 3.600 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.316 3.327 2.828 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.692 4.453 2.757 1.00 0.29 H new ATOM 783 N VAL A 57 3.539 6.761 0.798 1.00 0.26 N ATOM 784 CA VAL A 57 3.924 8.154 0.633 1.00 0.27 C ATOM 785 C VAL A 57 3.026 8.837 -0.373 1.00 0.26 C ATOM 786 O VAL A 57 2.555 9.939 -0.134 1.00 0.30 O ATOM 787 CB VAL A 57 5.374 8.335 0.172 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.722 9.811 0.160 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.330 7.559 1.054 1.00 0.30 C ATOM 0 H VAL A 57 4.211 6.084 0.437 1.00 0.26 H new ATOM 0 HA VAL A 57 3.823 8.603 1.621 1.00 0.27 H new ATOM 0 HB VAL A 57 5.473 7.939 -0.839 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.754 9.939 -0.168 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.056 10.336 -0.524 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.607 10.220 1.164 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.351 7.707 0.702 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.245 7.913 2.082 1.00 0.30 H new ATOM 0 HG23 VAL A 57 6.083 6.498 1.014 1.00 0.30 H new ATOM 799 N TYR A 58 2.788 8.174 -1.497 1.00 0.25 N ATOM 800 CA TYR A 58 1.910 8.716 -2.527 1.00 0.27 C ATOM 801 C TYR A 58 0.528 8.990 -1.950 1.00 0.28 C ATOM 802 O TYR A 58 -0.167 9.909 -2.381 1.00 0.29 O ATOM 803 CB TYR A 58 1.803 7.754 -3.705 1.00 0.27 C ATOM 804 CG TYR A 58 3.057 7.661 -4.537 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.316 8.596 -5.524 1.00 0.35 C ATOM 806 CD2 TYR A 58 3.977 6.644 -4.344 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.456 8.526 -6.294 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.123 6.565 -5.112 1.00 0.30 C ATOM 809 CZ TYR A 58 5.359 7.508 -6.085 1.00 0.33 C ATOM 810 OH TYR A 58 6.501 7.434 -6.851 1.00 0.37 O ATOM 0 H TYR A 58 3.189 7.263 -1.719 1.00 0.25 H new ATOM 0 HA TYR A 58 2.338 9.653 -2.883 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.554 6.762 -3.329 1.00 0.27 H new ATOM 0 HB3 TYR A 58 0.978 8.069 -4.344 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.611 9.396 -5.694 1.00 0.35 H new ATOM 0 HD2 TYR A 58 3.796 5.901 -3.581 1.00 0.28 H new ATOM 0 HE1 TYR A 58 4.641 9.266 -7.058 1.00 0.38 H new ATOM 0 HE2 TYR A 58 5.831 5.766 -4.949 1.00 0.30 H new ATOM 0 HH TYR A 58 6.772 8.336 -7.122 1.00 0.37 H new ATOM 820 N PHE A 59 0.148 8.194 -0.959 1.00 0.30 N ATOM 821 CA PHE A 59 -1.131 8.351 -0.288 1.00 0.32 C ATOM 822 C PHE A 59 -1.160 9.667 0.488 1.00 0.35 C ATOM 823 O PHE A 59 -2.202 10.312 0.615 1.00 0.42 O ATOM 824 CB PHE A 59 -1.367 7.165 0.640 1.00 0.33 C ATOM 825 CG PHE A 59 -2.790 7.023 1.100 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.229 7.689 2.229 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.685 6.227 0.405 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.534 7.564 2.660 1.00 0.56 C ATOM 829 CE2 PHE A 59 -4.993 6.097 0.830 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.421 6.755 1.942 1.00 0.47 C ATOM 0 H PHE A 59 0.716 7.426 -0.601 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.930 8.379 -1.029 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.069 6.251 0.127 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.722 7.266 1.513 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.543 8.315 2.780 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.357 5.702 -0.480 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.868 8.086 3.544 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.678 5.471 0.278 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.445 6.653 2.270 1.00 0.47 H new ATOM 840 N GLU A 60 0.002 10.061 0.992 1.00 0.34 N ATOM 841 CA GLU A 60 0.164 11.348 1.654 1.00 0.37 C ATOM 842 C GLU A 60 0.346 12.448 0.615 1.00 0.35 C ATOM 843 O GLU A 60 -0.117 13.575 0.785 1.00 0.41 O ATOM 844 CB GLU A 60 1.372 11.308 2.580 1.00 0.39 C ATOM 845 CG GLU A 60 1.249 10.269 3.677 1.00 0.44 C ATOM 846 CD GLU A 60 0.109 10.546 4.631 1.00 0.91 C ATOM 847 OE1 GLU A 60 0.199 11.515 5.413 1.00 1.42 O ATOM 848 OE2 GLU A 60 -0.882 9.782 4.613 1.00 1.07 O ATOM 0 H GLU A 60 0.854 9.501 0.954 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.729 11.558 2.243 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.266 11.102 1.992 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.508 12.290 3.032 1.00 0.39 H new ATOM 0 HG2 GLU A 60 1.106 9.287 3.225 1.00 0.44 H new ATOM 0 HG3 GLU A 60 2.183 10.229 4.238 1.00 0.44 H new ATOM 855 N LYS A 61 1.018 12.086 -0.473 1.00 0.32 N ATOM 856 CA LYS A 61 1.311 13.005 -1.566 1.00 0.33 C ATOM 857 C LYS A 61 0.035 13.448 -2.275 1.00 0.35 C ATOM 858 O LYS A 61 -0.020 14.531 -2.854 1.00 0.40 O ATOM 859 CB LYS A 61 2.259 12.341 -2.569 1.00 0.33 C ATOM 860 CG LYS A 61 3.657 12.116 -2.011 1.00 0.48 C ATOM 861 CD LYS A 61 4.728 12.199 -3.085 1.00 0.49 C ATOM 862 CE LYS A 61 4.553 11.142 -4.159 1.00 0.36 C ATOM 863 NZ LYS A 61 5.594 11.264 -5.218 1.00 1.10 N ATOM 0 H LYS A 61 1.376 11.143 -0.622 1.00 0.32 H new ATOM 0 HA LYS A 61 1.789 13.889 -1.143 1.00 0.33 H new ATOM 0 HB2 LYS A 61 1.839 11.384 -2.878 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.326 12.962 -3.462 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.861 12.858 -1.239 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.701 11.138 -1.532 1.00 0.48 H new ATOM 0 HD2 LYS A 61 4.703 13.187 -3.544 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.710 12.087 -2.625 1.00 0.49 H new ATOM 0 HE2 LYS A 61 4.605 10.151 -3.708 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.564 11.237 -4.607 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 5.531 10.450 -5.862 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 5.443 12.142 -5.754 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 6.536 11.285 -4.778 1.00 1.10 H new ATOM 877 N GLY A 62 -0.983 12.601 -2.224 1.00 0.34 N ATOM 878 CA GLY A 62 -2.229 12.896 -2.902 1.00 0.36 C ATOM 879 C GLY A 62 -2.313 12.197 -4.241 1.00 0.33 C ATOM 880 O GLY A 62 -3.235 12.431 -5.024 1.00 0.35 O ATOM 0 H GLY A 62 -0.968 11.712 -1.724 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -3.066 12.587 -2.276 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.319 13.973 -3.047 1.00 0.36 H new ATOM 884 N ASP A 63 -1.347 11.326 -4.494 1.00 0.31 N ATOM 885 CA ASP A 63 -1.271 10.601 -5.754 1.00 0.30 C ATOM 886 C ASP A 63 -1.852 9.208 -5.575 1.00 0.27 C ATOM 887 O ASP A 63 -1.145 8.212 -5.720 1.00 0.32 O ATOM 888 CB ASP A 63 0.180 10.488 -6.224 1.00 0.32 C ATOM 889 CG ASP A 63 0.283 10.320 -7.729 1.00 0.84 C ATOM 890 OD1 ASP A 63 -0.427 9.450 -8.276 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.093 11.029 -8.366 1.00 1.26 O ATOM 0 H ASP A 63 -0.599 11.103 -3.837 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.842 11.148 -6.505 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.729 11.380 -5.921 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.655 9.639 -5.732 1.00 0.32 H new ATOM 896 N TYR A 64 -3.143 9.147 -5.266 1.00 0.27 N ATOM 897 CA TYR A 64 -3.800 7.889 -4.912 1.00 0.28 C ATOM 898 C TYR A 64 -3.741 6.888 -6.056 1.00 0.29 C ATOM 899 O TYR A 64 -3.768 5.676 -5.836 1.00 0.34 O ATOM 900 CB TYR A 64 -5.251 8.144 -4.495 1.00 0.29 C ATOM 901 CG TYR A 64 -5.368 9.102 -3.333 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.015 8.708 -2.048 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.843 10.397 -3.517 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.130 9.573 -0.980 1.00 0.36 C ATOM 905 CE2 TYR A 64 -5.962 11.268 -2.451 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.565 10.879 -1.204 1.00 0.38 C ATOM 907 OH TYR A 64 -5.720 11.716 -0.120 1.00 0.43 O ATOM 0 H TYR A 64 -3.761 9.959 -5.253 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.262 7.458 -4.068 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.804 8.543 -5.346 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.719 7.197 -4.227 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.644 7.707 -1.883 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -6.123 10.726 -4.507 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -4.886 9.243 0.019 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.369 12.257 -2.604 1.00 0.39 H new ATOM 0 HH TYR A 64 -6.027 12.595 -0.426 1.00 0.43 H new ATOM 917 N ASN A 65 -3.636 7.400 -7.272 1.00 0.31 N ATOM 918 CA ASN A 65 -3.500 6.556 -8.449 1.00 0.37 C ATOM 919 C ASN A 65 -2.205 5.753 -8.376 1.00 0.33 C ATOM 920 O ASN A 65 -2.149 4.599 -8.791 1.00 0.34 O ATOM 921 CB ASN A 65 -3.516 7.402 -9.719 1.00 0.47 C ATOM 922 CG ASN A 65 -3.504 6.565 -10.984 1.00 1.17 C ATOM 923 OD1 ASN A 65 -4.052 5.462 -11.022 1.00 1.66 O ATOM 924 ND2 ASN A 65 -2.872 7.079 -12.026 1.00 2.18 N ATOM 0 H ASN A 65 -3.642 8.401 -7.470 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.344 5.867 -8.477 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -4.403 8.036 -9.717 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -2.651 8.065 -9.719 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -2.826 6.559 -12.902 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -2.431 7.996 -11.954 1.00 2.18 H new ATOM 931 N LYS A 66 -1.168 6.363 -7.825 1.00 0.34 N ATOM 932 CA LYS A 66 0.120 5.706 -7.726 1.00 0.32 C ATOM 933 C LYS A 66 0.170 4.765 -6.526 1.00 0.31 C ATOM 934 O LYS A 66 0.843 3.733 -6.567 1.00 0.32 O ATOM 935 CB LYS A 66 1.238 6.726 -7.598 1.00 0.29 C ATOM 936 CG LYS A 66 2.616 6.106 -7.723 1.00 0.40 C ATOM 937 CD LYS A 66 2.865 5.517 -9.096 1.00 0.63 C ATOM 938 CE LYS A 66 4.276 4.968 -9.191 1.00 0.42 C ATOM 939 NZ LYS A 66 4.549 4.331 -10.509 1.00 0.68 N ATOM 0 H LYS A 66 -1.195 7.308 -7.442 1.00 0.34 H new ATOM 0 HA LYS A 66 0.256 5.127 -8.640 1.00 0.32 H new ATOM 0 HB2 LYS A 66 1.117 7.489 -8.367 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.157 7.228 -6.634 1.00 0.29 H new ATOM 0 HG2 LYS A 66 3.372 6.863 -7.514 1.00 0.40 H new ATOM 0 HG3 LYS A 66 2.729 5.326 -6.970 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.145 4.722 -9.293 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.714 6.281 -9.859 1.00 0.63 H new ATOM 0 HE2 LYS A 66 4.989 5.776 -9.026 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.433 4.237 -8.398 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.525 3.971 -10.525 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 3.887 3.543 -10.657 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.426 5.033 -11.266 1.00 0.68 H new ATOM 953 N CYS A 67 -0.522 5.124 -5.454 1.00 0.31 N ATOM 954 CA CYS A 67 -0.530 4.309 -4.253 1.00 0.32 C ATOM 955 C CYS A 67 -1.123 2.936 -4.549 1.00 0.36 C ATOM 956 O CYS A 67 -0.591 1.909 -4.117 1.00 0.39 O ATOM 957 CB CYS A 67 -1.338 4.994 -3.160 1.00 0.33 C ATOM 958 SG CYS A 67 -1.335 6.787 -3.243 1.00 1.29 S ATOM 0 H CYS A 67 -1.084 5.973 -5.394 1.00 0.31 H new ATOM 0 HA CYS A 67 0.498 4.184 -3.912 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -2.368 4.642 -3.213 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -0.946 4.687 -2.190 1.00 0.33 H new ATOM 0 HG CYS A 67 -1.006 7.165 -4.442 1.00 1.29 H new ATOM 964 N ARG A 68 -2.221 2.923 -5.299 1.00 0.38 N ATOM 965 CA ARG A 68 -2.850 1.675 -5.703 1.00 0.45 C ATOM 966 C ARG A 68 -1.986 0.969 -6.743 1.00 0.42 C ATOM 967 O ARG A 68 -1.997 -0.257 -6.850 1.00 0.48 O ATOM 968 CB ARG A 68 -4.274 1.937 -6.230 1.00 0.60 C ATOM 969 CG ARG A 68 -4.349 2.759 -7.510 1.00 1.00 C ATOM 970 CD ARG A 68 -4.221 1.883 -8.747 1.00 1.21 C ATOM 971 NE ARG A 68 -3.982 2.666 -9.959 1.00 1.92 N ATOM 972 CZ ARG A 68 -3.261 2.232 -10.994 1.00 2.48 C ATOM 973 NH1 ARG A 68 -2.768 0.999 -10.995 1.00 2.64 N ATOM 974 NH2 ARG A 68 -3.045 3.026 -12.033 1.00 3.39 N ATOM 0 H ARG A 68 -2.691 3.762 -5.638 1.00 0.38 H new ATOM 0 HA ARG A 68 -2.937 1.019 -4.837 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.762 0.978 -6.403 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -4.843 2.449 -5.454 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -5.296 3.298 -7.542 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -3.556 3.507 -7.510 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -3.403 1.177 -8.606 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -5.131 1.296 -8.870 1.00 1.21 H new ATOM 0 HE ARG A 68 -4.391 3.599 -10.016 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -2.940 0.380 -10.203 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -2.217 0.671 -11.788 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -3.430 3.970 -12.042 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -2.493 2.693 -12.824 1.00 3.39 H new ATOM 988 N GLU A 69 -1.230 1.764 -7.494 1.00 0.38 N ATOM 989 CA GLU A 69 -0.329 1.250 -8.515 1.00 0.37 C ATOM 990 C GLU A 69 0.762 0.389 -7.886 1.00 0.31 C ATOM 991 O GLU A 69 0.907 -0.794 -8.207 1.00 0.34 O ATOM 992 CB GLU A 69 0.306 2.418 -9.290 1.00 0.38 C ATOM 993 CG GLU A 69 1.233 1.981 -10.413 1.00 0.67 C ATOM 994 CD GLU A 69 0.531 1.129 -11.455 1.00 1.20 C ATOM 995 OE1 GLU A 69 -0.177 1.691 -12.313 1.00 1.19 O ATOM 996 OE2 GLU A 69 0.693 -0.110 -11.429 1.00 2.08 O ATOM 0 H GLU A 69 -1.226 2.781 -7.411 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.904 0.631 -9.204 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.487 3.038 -9.708 1.00 0.38 H new ATOM 0 HB3 GLU A 69 0.865 3.042 -8.593 1.00 0.38 H new ATOM 0 HG2 GLU A 69 1.654 2.863 -10.895 1.00 0.67 H new ATOM 0 HG3 GLU A 69 2.067 1.419 -9.992 1.00 0.67 H new ATOM 1003 N LEU A 70 1.506 0.984 -6.968 1.00 0.24 N ATOM 1004 CA LEU A 70 2.667 0.334 -6.383 1.00 0.21 C ATOM 1005 C LEU A 70 2.288 -0.843 -5.495 1.00 0.22 C ATOM 1006 O LEU A 70 2.930 -1.885 -5.555 1.00 0.23 O ATOM 1007 CB LEU A 70 3.491 1.338 -5.588 1.00 0.20 C ATOM 1008 CG LEU A 70 4.217 2.392 -6.419 1.00 0.21 C ATOM 1009 CD1 LEU A 70 4.969 3.335 -5.505 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.169 1.741 -7.412 1.00 0.24 C ATOM 0 H LEU A 70 1.325 1.922 -6.610 1.00 0.24 H new ATOM 0 HA LEU A 70 3.262 -0.057 -7.208 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.833 1.846 -4.883 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.228 0.792 -4.999 1.00 0.20 H new ATOM 0 HG LEU A 70 3.478 2.958 -6.986 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.486 4.086 -6.103 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.267 3.827 -4.832 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.697 2.772 -4.921 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.674 2.514 -7.992 1.00 0.24 H new ATOM 0 HD22 LEU A 70 5.909 1.150 -6.873 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.607 1.093 -8.084 1.00 0.24 H new ATOM 1022 N CYS A 71 1.254 -0.687 -4.675 1.00 0.24 N ATOM 1023 CA CYS A 71 0.855 -1.753 -3.760 1.00 0.25 C ATOM 1024 C CYS A 71 0.537 -3.040 -4.513 1.00 0.24 C ATOM 1025 O CYS A 71 1.018 -4.104 -4.148 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.344 -1.336 -2.917 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.023 0.017 -1.768 1.00 1.10 S ATOM 0 H CYS A 71 0.682 0.156 -4.624 1.00 0.24 H new ATOM 0 HA CYS A 71 1.700 -1.939 -3.097 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.156 -1.044 -3.583 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.692 -2.200 -2.351 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.361 1.144 -2.320 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.256 -2.929 -5.571 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.635 -4.078 -6.388 1.00 0.26 C ATOM 1035 C GLU A 72 0.597 -4.756 -6.989 1.00 0.23 C ATOM 1036 O GLU A 72 0.691 -5.981 -7.022 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.573 -3.599 -7.488 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.893 -4.340 -7.545 1.00 0.87 C ATOM 1039 CD GLU A 72 -2.783 -5.667 -8.256 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -2.634 -5.680 -9.494 1.00 2.09 O ATOM 1041 OE2 GLU A 72 -2.843 -6.709 -7.570 1.00 1.68 O ATOM 0 H GLU A 72 -0.654 -2.045 -5.887 1.00 0.25 H new ATOM 0 HA GLU A 72 -1.139 -4.816 -5.765 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.771 -2.537 -7.344 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -1.070 -3.702 -8.449 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -3.257 -4.504 -6.531 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.632 -3.720 -8.053 1.00 0.87 H new ATOM 1048 N LYS A 73 1.546 -3.945 -7.441 1.00 0.23 N ATOM 1049 CA LYS A 73 2.799 -4.451 -7.988 1.00 0.23 C ATOM 1050 C LYS A 73 3.586 -5.158 -6.897 1.00 0.20 C ATOM 1051 O LYS A 73 4.064 -6.272 -7.083 1.00 0.21 O ATOM 1052 CB LYS A 73 3.630 -3.300 -8.571 1.00 0.27 C ATOM 1053 CG LYS A 73 5.042 -3.683 -9.016 1.00 0.33 C ATOM 1054 CD LYS A 73 5.064 -4.448 -10.338 1.00 0.57 C ATOM 1055 CE LYS A 73 4.824 -5.939 -10.162 1.00 0.60 C ATOM 1056 NZ LYS A 73 4.810 -6.653 -11.463 1.00 1.23 N ATOM 0 H LYS A 73 1.470 -2.928 -7.439 1.00 0.23 H new ATOM 0 HA LYS A 73 2.575 -5.158 -8.787 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.097 -2.883 -9.425 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.703 -2.510 -7.824 1.00 0.27 H new ATOM 0 HG2 LYS A 73 5.643 -2.779 -9.115 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.508 -4.293 -8.242 1.00 0.33 H new ATOM 0 HD2 LYS A 73 4.303 -4.038 -11.002 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.027 -4.295 -10.825 1.00 0.57 H new ATOM 0 HE2 LYS A 73 5.602 -6.360 -9.525 1.00 0.60 H new ATOM 0 HE3 LYS A 73 3.874 -6.096 -9.651 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 4.644 -7.667 -11.301 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 4.051 -6.269 -12.062 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 5.725 -6.524 -11.940 1.00 1.23 H new ATOM 1070 N ALA A 74 3.697 -4.495 -5.754 1.00 0.19 N ATOM 1071 CA ALA A 74 4.364 -5.057 -4.592 1.00 0.17 C ATOM 1072 C ALA A 74 3.725 -6.370 -4.200 1.00 0.16 C ATOM 1073 O ALA A 74 4.410 -7.327 -3.882 1.00 0.16 O ATOM 1074 CB ALA A 74 4.309 -4.079 -3.434 1.00 0.18 C ATOM 0 H ALA A 74 3.328 -3.555 -5.608 1.00 0.19 H new ATOM 0 HA ALA A 74 5.408 -5.243 -4.846 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.812 -4.511 -2.569 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.806 -3.151 -3.717 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.269 -3.871 -3.183 1.00 0.18 H new ATOM 1080 N ILE A 75 2.406 -6.405 -4.238 1.00 0.16 N ATOM 1081 CA ILE A 75 1.664 -7.603 -3.901 1.00 0.16 C ATOM 1082 C ILE A 75 1.981 -8.729 -4.868 1.00 0.17 C ATOM 1083 O ILE A 75 2.189 -9.865 -4.450 1.00 0.18 O ATOM 1084 CB ILE A 75 0.154 -7.328 -3.877 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.183 -6.412 -2.708 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.640 -8.616 -3.786 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.658 -6.157 -2.555 1.00 0.23 C ATOM 0 H ILE A 75 1.824 -5.610 -4.501 1.00 0.16 H new ATOM 0 HA ILE A 75 1.971 -7.912 -2.902 1.00 0.16 H new ATOM 0 HB ILE A 75 -0.120 -6.837 -4.811 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.199 -6.854 -1.788 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.331 -5.460 -2.842 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.705 -8.386 -3.771 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.416 -9.243 -4.649 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.370 -9.146 -2.873 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.827 -5.497 -1.704 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -2.042 -5.687 -3.460 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.175 -7.102 -2.390 1.00 0.23 H new ATOM 1099 N GLU A 76 2.036 -8.412 -6.155 1.00 0.18 N ATOM 1100 CA GLU A 76 2.417 -9.402 -7.154 1.00 0.21 C ATOM 1101 C GLU A 76 3.824 -9.920 -6.874 1.00 0.20 C ATOM 1102 O GLU A 76 4.089 -11.117 -6.955 1.00 0.24 O ATOM 1103 CB GLU A 76 2.350 -8.801 -8.556 1.00 0.24 C ATOM 1104 CG GLU A 76 0.938 -8.490 -9.015 1.00 0.77 C ATOM 1105 CD GLU A 76 0.073 -9.731 -9.117 1.00 1.47 C ATOM 1106 OE1 GLU A 76 -0.577 -10.095 -8.115 1.00 1.62 O ATOM 1107 OE2 GLU A 76 0.026 -10.342 -10.204 1.00 2.35 O ATOM 0 H GLU A 76 1.824 -7.487 -6.529 1.00 0.18 H new ATOM 0 HA GLU A 76 1.716 -10.235 -7.098 1.00 0.21 H new ATOM 0 HB2 GLU A 76 2.941 -7.885 -8.579 1.00 0.24 H new ATOM 0 HB3 GLU A 76 2.809 -9.494 -9.262 1.00 0.24 H new ATOM 0 HG2 GLU A 76 0.480 -7.788 -8.319 1.00 0.77 H new ATOM 0 HG3 GLU A 76 0.976 -7.997 -9.986 1.00 0.77 H new ATOM 1114 N VAL A 77 4.704 -8.997 -6.522 1.00 0.21 N ATOM 1115 CA VAL A 77 6.091 -9.306 -6.198 1.00 0.22 C ATOM 1116 C VAL A 77 6.193 -10.166 -4.937 1.00 0.21 C ATOM 1117 O VAL A 77 6.888 -11.182 -4.915 1.00 0.24 O ATOM 1118 CB VAL A 77 6.883 -7.993 -5.998 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.255 -8.245 -5.402 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.004 -7.236 -7.313 1.00 0.25 C ATOM 0 H VAL A 77 4.477 -8.005 -6.452 1.00 0.21 H new ATOM 0 HA VAL A 77 6.514 -9.872 -7.028 1.00 0.22 H new ATOM 0 HB VAL A 77 6.326 -7.381 -5.289 1.00 0.22 H new ATOM 0 HG11 VAL A 77 8.778 -7.297 -5.278 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.147 -8.729 -4.431 1.00 0.22 H new ATOM 0 HG13 VAL A 77 8.828 -8.891 -6.068 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.564 -6.315 -7.152 1.00 0.25 H new ATOM 0 HG22 VAL A 77 7.525 -7.855 -8.043 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.009 -6.995 -7.687 1.00 0.25 H new ATOM 1130 N GLY A 78 5.490 -9.758 -3.894 1.00 0.19 N ATOM 1131 CA GLY A 78 5.539 -10.472 -2.637 1.00 0.21 C ATOM 1132 C GLY A 78 4.867 -11.823 -2.724 1.00 0.21 C ATOM 1133 O GLY A 78 5.383 -12.811 -2.218 1.00 0.27 O ATOM 0 H GLY A 78 4.882 -8.939 -3.896 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.578 -10.603 -2.335 1.00 0.21 H new ATOM 0 HA3 GLY A 78 5.055 -9.876 -1.863 1.00 0.21 H new ATOM 1137 N ARG A 79 3.724 -11.868 -3.387 1.00 0.21 N ATOM 1138 CA ARG A 79 2.991 -13.113 -3.568 1.00 0.28 C ATOM 1139 C ARG A 79 3.803 -14.067 -4.438 1.00 0.28 C ATOM 1140 O ARG A 79 3.670 -15.287 -4.346 1.00 0.33 O ATOM 1141 CB ARG A 79 1.630 -12.811 -4.193 1.00 0.39 C ATOM 1142 CG ARG A 79 0.638 -13.955 -4.132 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.765 -13.458 -4.437 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.742 -14.541 -4.506 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.779 -14.558 -5.344 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -2.922 -13.606 -6.258 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -3.662 -15.544 -5.279 1.00 2.63 N ATOM 0 H ARG A 79 3.280 -11.053 -3.811 1.00 0.21 H new ATOM 0 HA ARG A 79 2.828 -13.595 -2.604 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.198 -11.946 -3.690 1.00 0.39 H new ATOM 0 HB3 ARG A 79 1.778 -12.532 -5.236 1.00 0.39 H new ATOM 0 HG2 ARG A 79 0.920 -14.728 -4.847 1.00 0.81 H new ATOM 0 HG3 ARG A 79 0.661 -14.412 -3.143 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -1.070 -12.747 -3.669 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.758 -12.919 -5.385 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.624 -15.333 -3.874 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -2.236 -12.854 -6.323 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -3.718 -13.626 -6.895 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -3.547 -16.287 -4.589 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -4.456 -15.560 -5.919 1.00 2.63 H new ATOM 1161 N GLU A 80 4.654 -13.488 -5.276 1.00 0.27 N ATOM 1162 CA GLU A 80 5.609 -14.246 -6.071 1.00 0.32 C ATOM 1163 C GLU A 80 6.694 -14.852 -5.189 1.00 0.31 C ATOM 1164 O GLU A 80 6.930 -16.060 -5.189 1.00 0.37 O ATOM 1165 CB GLU A 80 6.277 -13.323 -7.094 1.00 0.36 C ATOM 1166 CG GLU A 80 7.602 -13.860 -7.607 1.00 0.57 C ATOM 1167 CD GLU A 80 7.995 -13.287 -8.951 1.00 1.18 C ATOM 1168 OE1 GLU A 80 8.585 -12.181 -8.978 1.00 1.96 O ATOM 1169 OE2 GLU A 80 7.711 -13.923 -9.983 1.00 1.22 O ATOM 0 H GLU A 80 4.701 -12.480 -5.423 1.00 0.27 H new ATOM 0 HA GLU A 80 5.067 -15.046 -6.575 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.601 -13.175 -7.936 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.439 -12.345 -6.640 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.383 -13.636 -6.881 1.00 0.57 H new ATOM 0 HG3 GLU A 80 7.541 -14.945 -7.685 1.00 0.57 H new ATOM 1176 N ASN A 81 7.330 -13.986 -4.425 1.00 0.29 N ATOM 1177 CA ASN A 81 8.518 -14.335 -3.661 1.00 0.35 C ATOM 1178 C ASN A 81 8.149 -14.902 -2.286 1.00 0.35 C ATOM 1179 O ASN A 81 8.999 -15.094 -1.417 1.00 0.49 O ATOM 1180 CB ASN A 81 9.406 -13.083 -3.587 1.00 0.40 C ATOM 1181 CG ASN A 81 10.582 -13.179 -2.631 1.00 0.55 C ATOM 1182 OD1 ASN A 81 10.501 -12.749 -1.479 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.685 -13.740 -3.104 1.00 1.13 N ATOM 0 H ASN A 81 7.038 -13.015 -4.314 1.00 0.29 H new ATOM 0 HA ASN A 81 9.077 -15.133 -4.151 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.787 -12.868 -4.585 1.00 0.40 H new ATOM 0 HB3 ASN A 81 8.787 -12.235 -3.292 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.508 -13.828 -2.508 1.00 1.13 H new ATOM 0 HD22 ASN A 81 11.711 -14.084 -4.064 1.00 1.13 H new ATOM 1190 N ARG A 82 6.863 -15.215 -2.122 1.00 0.32 N ATOM 1191 CA ARG A 82 6.351 -15.847 -0.905 1.00 0.37 C ATOM 1192 C ARG A 82 6.573 -14.942 0.302 1.00 0.32 C ATOM 1193 O ARG A 82 6.963 -15.394 1.383 1.00 0.38 O ATOM 1194 CB ARG A 82 7.012 -17.213 -0.680 1.00 0.47 C ATOM 1195 CG ARG A 82 6.943 -18.138 -1.887 1.00 1.04 C ATOM 1196 CD ARG A 82 5.515 -18.346 -2.358 1.00 1.99 C ATOM 1197 NE ARG A 82 5.458 -19.165 -3.568 1.00 2.83 N ATOM 1198 CZ ARG A 82 4.469 -19.113 -4.457 1.00 3.77 C ATOM 1199 NH1 ARG A 82 3.447 -18.285 -4.278 1.00 4.01 N ATOM 1200 NH2 ARG A 82 4.507 -19.890 -5.533 1.00 4.67 N ATOM 0 H ARG A 82 6.148 -15.038 -2.828 1.00 0.32 H new ATOM 0 HA ARG A 82 5.279 -16.003 -1.029 1.00 0.37 H new ATOM 0 HB2 ARG A 82 8.057 -17.060 -0.411 1.00 0.47 H new ATOM 0 HB3 ARG A 82 6.533 -17.702 0.168 1.00 0.47 H new ATOM 0 HG2 ARG A 82 7.536 -17.719 -2.700 1.00 1.04 H new ATOM 0 HG3 ARG A 82 7.386 -19.101 -1.632 1.00 1.04 H new ATOM 0 HD2 ARG A 82 4.937 -18.824 -1.567 1.00 1.99 H new ATOM 0 HD3 ARG A 82 5.051 -17.379 -2.551 1.00 1.99 H new ATOM 0 HE ARG A 82 6.224 -19.816 -3.741 1.00 2.83 H new ATOM 0 HH11 ARG A 82 3.416 -17.683 -3.455 1.00 4.01 H new ATOM 0 HH12 ARG A 82 2.693 -18.250 -4.964 1.00 4.01 H new ATOM 0 HH21 ARG A 82 5.293 -20.524 -5.676 1.00 4.67 H new ATOM 0 HH22 ARG A 82 3.750 -19.852 -6.216 1.00 4.67 H new ATOM 1214 N GLU A 83 6.316 -13.664 0.101 1.00 0.27 N ATOM 1215 CA GLU A 83 6.505 -12.658 1.126 1.00 0.27 C ATOM 1216 C GLU A 83 5.271 -12.584 2.024 1.00 0.25 C ATOM 1217 O GLU A 83 4.225 -13.147 1.693 1.00 0.25 O ATOM 1218 CB GLU A 83 6.787 -11.306 0.461 1.00 0.28 C ATOM 1219 CG GLU A 83 7.275 -10.226 1.413 1.00 0.43 C ATOM 1220 CD GLU A 83 8.432 -10.687 2.271 1.00 0.94 C ATOM 1221 OE1 GLU A 83 9.573 -10.728 1.763 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.207 -11.014 3.455 1.00 1.60 O ATOM 0 H GLU A 83 5.968 -13.293 -0.783 1.00 0.27 H new ATOM 0 HA GLU A 83 7.357 -12.925 1.752 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.533 -11.448 -0.321 1.00 0.28 H new ATOM 0 HB3 GLU A 83 5.877 -10.958 -0.027 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.579 -9.351 0.839 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.452 -9.915 2.056 1.00 0.43 H new ATOM 1229 N ASP A 84 5.418 -11.913 3.161 1.00 0.26 N ATOM 1230 CA ASP A 84 4.352 -11.786 4.156 1.00 0.26 C ATOM 1231 C ASP A 84 3.031 -11.342 3.525 1.00 0.25 C ATOM 1232 O ASP A 84 2.911 -10.221 3.030 1.00 0.26 O ATOM 1233 CB ASP A 84 4.774 -10.786 5.233 1.00 0.29 C ATOM 1234 CG ASP A 84 3.843 -10.794 6.424 1.00 0.44 C ATOM 1235 OD1 ASP A 84 3.917 -11.731 7.236 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.023 -9.859 6.552 1.00 0.68 O ATOM 0 H ASP A 84 6.282 -11.439 3.422 1.00 0.26 H new ATOM 0 HA ASP A 84 4.191 -12.768 4.600 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.786 -11.019 5.565 1.00 0.29 H new ATOM 0 HB3 ASP A 84 4.802 -9.784 4.804 1.00 0.29 H new ATOM 1241 N TYR A 85 2.036 -12.226 3.554 1.00 0.26 N ATOM 1242 CA TYR A 85 0.739 -11.934 2.949 1.00 0.26 C ATOM 1243 C TYR A 85 -0.064 -10.991 3.832 1.00 0.27 C ATOM 1244 O TYR A 85 -0.992 -10.328 3.374 1.00 0.26 O ATOM 1245 CB TYR A 85 -0.056 -13.220 2.689 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.401 -14.013 3.934 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.351 -13.552 4.838 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.216 -15.226 4.197 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.674 -14.276 5.965 1.00 0.37 C ATOM 1250 CE2 TYR A 85 -0.102 -15.958 5.324 1.00 0.37 C ATOM 1251 CZ TYR A 85 -1.047 -15.478 6.206 1.00 0.38 C ATOM 1252 OH TYR A 85 -1.374 -16.203 7.328 1.00 0.44 O ATOM 0 H TYR A 85 2.103 -13.147 3.988 1.00 0.26 H new ATOM 0 HA TYR A 85 0.923 -11.448 1.991 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.980 -12.962 2.171 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.519 -13.857 2.017 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.845 -12.609 4.654 1.00 0.34 H new ATOM 0 HD2 TYR A 85 0.958 -15.605 3.509 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.415 -13.903 6.656 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.387 -16.902 5.514 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.844 -17.027 7.351 1.00 0.44 H new ATOM 1262 N ARG A 86 0.288 -10.947 5.108 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.351 -10.029 6.032 1.00 0.33 C ATOM 1264 C ARG A 86 -0.007 -8.602 5.628 1.00 0.32 C ATOM 1265 O ARG A 86 -0.857 -7.713 5.647 1.00 0.32 O ATOM 1266 CB ARG A 86 0.089 -10.330 7.455 1.00 0.40 C ATOM 1267 CG ARG A 86 -0.289 -11.730 7.892 1.00 0.44 C ATOM 1268 CD ARG A 86 0.046 -11.963 9.344 1.00 0.55 C ATOM 1269 NE ARG A 86 -0.309 -13.315 9.770 1.00 1.57 N ATOM 1270 CZ ARG A 86 0.536 -14.168 10.346 1.00 1.98 C ATOM 1271 NH1 ARG A 86 1.798 -13.816 10.579 1.00 1.57 N ATOM 1272 NH2 ARG A 86 0.120 -15.380 10.690 1.00 3.04 N ATOM 0 H ARG A 86 1.010 -11.535 5.524 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.434 -10.150 5.993 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.169 -10.207 7.532 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.363 -9.606 8.133 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -1.356 -11.886 7.734 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.235 -12.459 7.275 1.00 0.44 H new ATOM 0 HD2 ARG A 86 1.112 -11.800 9.502 1.00 0.55 H new ATOM 0 HD3 ARG A 86 -0.483 -11.236 9.961 1.00 0.55 H new ATOM 0 HE ARG A 86 -1.268 -13.626 9.616 1.00 1.57 H new ATOM 0 HH11 ARG A 86 2.125 -12.886 10.316 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.438 -14.476 11.021 1.00 1.57 H new ATOM 0 HH21 ARG A 86 -0.846 -15.657 10.513 1.00 3.04 H new ATOM 0 HH22 ARG A 86 0.766 -16.035 11.131 1.00 3.04 H new ATOM 1286 N GLN A 87 1.250 -8.423 5.241 1.00 0.33 N ATOM 1287 CA GLN A 87 1.743 -7.190 4.641 1.00 0.33 C ATOM 1288 C GLN A 87 1.020 -6.918 3.320 1.00 0.28 C ATOM 1289 O GLN A 87 0.696 -5.772 3.000 1.00 0.28 O ATOM 1290 CB GLN A 87 3.258 -7.333 4.427 1.00 0.39 C ATOM 1291 CG GLN A 87 3.948 -6.163 3.737 1.00 0.49 C ATOM 1292 CD GLN A 87 3.788 -4.844 4.470 1.00 0.57 C ATOM 1293 OE1 GLN A 87 4.603 -4.484 5.321 1.00 1.14 O ATOM 1294 NE2 GLN A 87 2.737 -4.111 4.142 1.00 1.46 N ATOM 0 H GLN A 87 1.967 -9.142 5.337 1.00 0.33 H new ATOM 0 HA GLN A 87 1.548 -6.343 5.298 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.729 -7.486 5.398 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.439 -8.233 3.840 1.00 0.39 H new ATOM 0 HG2 GLN A 87 5.010 -6.387 3.637 1.00 0.49 H new ATOM 0 HG3 GLN A 87 3.547 -6.059 2.729 1.00 0.49 H new ATOM 0 HE21 GLN A 87 2.085 -4.444 3.432 1.00 1.46 H new ATOM 0 HE22 GLN A 87 2.579 -3.213 4.599 1.00 1.46 H new ATOM 1303 N ILE A 88 0.755 -7.982 2.569 1.00 0.25 N ATOM 1304 CA ILE A 88 -0.004 -7.890 1.323 1.00 0.22 C ATOM 1305 C ILE A 88 -1.420 -7.381 1.563 1.00 0.20 C ATOM 1306 O ILE A 88 -1.919 -6.549 0.813 1.00 0.20 O ATOM 1307 CB ILE A 88 -0.049 -9.251 0.593 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.224 -9.434 -0.206 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.256 -9.359 -0.314 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.399 -10.798 -0.806 1.00 0.23 C ATOM 0 H ILE A 88 1.057 -8.928 2.803 1.00 0.25 H new ATOM 0 HA ILE A 88 0.514 -7.171 0.689 1.00 0.22 H new ATOM 0 HB ILE A 88 -0.132 -10.039 1.342 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.243 -8.695 -1.007 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.076 -9.225 0.441 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.253 -10.330 -0.810 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.166 -9.257 0.277 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.220 -8.569 -1.064 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.338 -10.835 -1.359 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.416 -11.545 -0.012 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.571 -11.007 -1.483 1.00 0.23 H new ATOM 1322 N ALA A 89 -2.059 -7.869 2.612 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.405 -7.429 2.947 1.00 0.21 C ATOM 1324 C ALA A 89 -3.415 -5.950 3.300 1.00 0.22 C ATOM 1325 O ALA A 89 -4.378 -5.240 3.016 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.956 -8.245 4.094 1.00 0.24 C ATOM 0 H ALA A 89 -1.670 -8.568 3.245 1.00 0.21 H new ATOM 0 HA ALA A 89 -4.041 -7.579 2.074 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.963 -7.904 4.332 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.987 -9.297 3.810 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.315 -8.124 4.968 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.334 -5.484 3.912 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.208 -4.073 4.244 1.00 0.27 C ATOM 1334 C LYS A 90 -1.956 -3.276 2.972 1.00 0.24 C ATOM 1335 O LYS A 90 -2.324 -2.106 2.871 1.00 0.26 O ATOM 1336 CB LYS A 90 -1.074 -3.840 5.249 1.00 0.33 C ATOM 1337 CG LYS A 90 -1.113 -4.772 6.453 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.453 -4.734 7.178 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.697 -3.394 7.856 1.00 0.67 C ATOM 1340 NZ LYS A 90 -3.956 -3.393 8.646 1.00 1.26 N ATOM 0 H LYS A 90 -1.537 -6.059 4.187 1.00 0.24 H new ATOM 0 HA LYS A 90 -3.137 -3.739 4.707 1.00 0.27 H new ATOM 0 HB2 LYS A 90 -0.119 -3.962 4.738 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -1.119 -2.809 5.599 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.910 -5.792 6.126 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.320 -4.496 7.148 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -3.255 -4.932 6.467 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.484 -5.528 7.924 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -1.858 -3.160 8.511 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -2.741 -2.608 7.102 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -4.085 -2.462 9.092 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -4.761 -3.591 8.017 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -3.904 -4.125 9.383 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.326 -3.932 2.002 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.118 -3.351 0.686 1.00 0.22 C ATOM 1356 C ALA A 91 -2.446 -3.247 -0.051 1.00 0.19 C ATOM 1357 O ALA A 91 -2.756 -2.214 -0.635 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.112 -4.176 -0.111 1.00 0.22 C ATOM 0 H ALA A 91 -0.949 -4.874 2.108 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.708 -2.348 0.802 1.00 0.22 H new ATOM 0 HB1 ALA A 91 0.031 -3.726 -1.093 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.840 -4.200 0.419 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.487 -5.193 -0.229 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.231 -4.320 0.002 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.574 -4.325 -0.567 1.00 0.16 C ATOM 1366 C TYR A 92 -5.419 -3.236 0.054 1.00 0.16 C ATOM 1367 O TYR A 92 -6.114 -2.498 -0.643 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.269 -5.662 -0.334 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.930 -6.742 -1.323 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.208 -6.568 -2.661 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.314 -7.919 -0.921 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.894 -7.542 -3.585 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.991 -8.901 -1.838 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.319 -8.760 -3.124 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.968 -9.678 -4.094 1.00 0.24 O ATOM 0 H TYR A 92 -2.957 -5.201 0.436 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.468 -4.153 -1.638 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -5.016 -6.015 0.666 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.347 -5.501 -0.352 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.679 -5.654 -2.991 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -4.084 -8.070 0.123 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.080 -7.384 -4.637 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.470 -9.789 -1.512 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.584 -10.473 -3.668 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.359 -3.150 1.372 1.00 0.20 N ATOM 1386 CA ALA A 93 -6.102 -2.147 2.099 1.00 0.21 C ATOM 1387 C ALA A 93 -5.679 -0.755 1.669 1.00 0.23 C ATOM 1388 O ALA A 93 -6.509 0.136 1.536 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.911 -2.321 3.593 1.00 0.25 C ATOM 0 H ALA A 93 -4.799 -3.768 1.959 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.160 -2.272 1.870 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.478 -1.556 4.124 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.264 -3.308 3.892 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.853 -2.224 3.838 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.387 -0.576 1.436 1.00 0.24 N ATOM 1396 CA ARG A 94 -3.868 0.709 0.998 1.00 0.27 C ATOM 1397 C ARG A 94 -4.340 1.004 -0.422 1.00 0.24 C ATOM 1398 O ARG A 94 -4.687 2.140 -0.743 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.342 0.723 1.063 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.760 2.121 1.159 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.240 2.120 1.068 1.00 0.53 C ATOM 1402 NE ARG A 94 0.392 1.151 1.971 1.00 0.72 N ATOM 1403 CZ ARG A 94 0.530 1.321 3.291 1.00 0.69 C ATOM 1404 NH1 ARG A 94 -0.022 2.365 3.898 1.00 1.50 N ATOM 1405 NH2 ARG A 94 1.214 0.433 4.005 1.00 0.88 N ATOM 0 H ARG A 94 -3.681 -1.304 1.543 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.246 1.484 1.665 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.016 0.141 1.925 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -1.943 0.230 0.177 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -2.169 2.739 0.360 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -2.065 2.576 2.101 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.056 1.898 0.043 1.00 0.53 H new ATOM 0 HD3 ARG A 94 0.132 3.118 1.299 1.00 0.53 H new ATOM 0 HE ARG A 94 0.751 0.288 1.564 1.00 0.72 H new ATOM 0 HH11 ARG A 94 -0.556 3.045 3.358 1.00 1.50 H new ATOM 0 HH12 ARG A 94 0.088 2.487 4.905 1.00 1.50 H new ATOM 0 HH21 ARG A 94 1.633 -0.376 3.547 1.00 0.88 H new ATOM 0 HH22 ARG A 94 1.320 0.561 5.011 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.353 -0.028 -1.262 1.00 0.21 N ATOM 1420 CA ILE A 95 -4.912 0.076 -2.606 1.00 0.21 C ATOM 1421 C ILE A 95 -6.354 0.540 -2.525 1.00 0.20 C ATOM 1422 O ILE A 95 -6.743 1.531 -3.148 1.00 0.24 O ATOM 1423 CB ILE A 95 -4.868 -1.279 -3.349 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.430 -1.718 -3.565 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.591 -1.186 -4.682 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.292 -3.105 -4.150 1.00 0.22 C ATOM 0 H ILE A 95 -3.981 -0.950 -1.033 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.308 0.795 -3.159 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.374 -2.021 -2.732 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -2.939 -1.005 -4.227 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -2.903 -1.683 -2.612 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.547 -2.151 -5.188 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.632 -0.912 -4.513 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.113 -0.429 -5.303 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.236 -3.344 -4.274 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.752 -3.830 -3.479 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.788 -3.142 -5.120 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.132 -0.178 -1.729 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.520 0.154 -1.554 1.00 0.18 C ATOM 1440 C GLY A 96 -8.710 1.524 -0.944 1.00 0.20 C ATOM 1441 O GLY A 96 -9.614 2.251 -1.331 1.00 0.23 O ATOM 0 H GLY A 96 -6.818 -0.991 -1.199 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.025 0.115 -2.519 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -8.993 -0.594 -0.917 1.00 0.18 H new ATOM 1445 N ASN A 97 -7.856 1.880 0.010 1.00 0.20 N ATOM 1446 CA ASN A 97 -7.931 3.190 0.647 1.00 0.25 C ATOM 1447 C ASN A 97 -7.632 4.295 -0.353 1.00 0.25 C ATOM 1448 O ASN A 97 -8.212 5.374 -0.282 1.00 0.27 O ATOM 1449 CB ASN A 97 -6.987 3.294 1.851 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.646 2.882 3.159 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -8.240 3.707 3.858 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -7.541 1.610 3.503 1.00 1.64 N ATOM 0 H ASN A 97 -7.106 1.282 0.358 1.00 0.20 H new ATOM 0 HA ASN A 97 -8.951 3.312 1.012 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -6.114 2.666 1.677 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -6.629 4.320 1.938 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -7.959 1.281 4.373 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -7.042 0.958 2.898 1.00 1.64 H new ATOM 1459 N SER A 98 -6.739 4.016 -1.288 1.00 0.26 N ATOM 1460 CA SER A 98 -6.430 4.958 -2.352 1.00 0.29 C ATOM 1461 C SER A 98 -7.677 5.223 -3.190 1.00 0.29 C ATOM 1462 O SER A 98 -8.047 6.374 -3.432 1.00 0.32 O ATOM 1463 CB SER A 98 -5.309 4.404 -3.224 1.00 0.32 C ATOM 1464 OG SER A 98 -4.153 4.137 -2.449 1.00 0.94 O ATOM 0 H SER A 98 -6.214 3.143 -1.332 1.00 0.26 H new ATOM 0 HA SER A 98 -6.099 5.900 -1.914 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.642 3.490 -3.715 1.00 0.32 H new ATOM 0 HB3 SER A 98 -5.068 5.118 -4.011 1.00 0.32 H new ATOM 0 HG SER A 98 -4.309 3.348 -1.890 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.334 4.144 -3.598 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.589 4.235 -4.329 1.00 0.29 C ATOM 1472 C TYR A 99 -10.666 4.890 -3.469 1.00 0.28 C ATOM 1473 O TYR A 99 -11.486 5.665 -3.955 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.058 2.845 -4.756 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.274 2.240 -5.891 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.359 2.770 -7.165 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.474 1.125 -5.696 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -8.672 2.215 -8.218 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -7.775 0.561 -6.744 1.00 0.32 C ATOM 1480 CZ TYR A 99 -7.878 1.109 -8.006 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.190 0.546 -9.057 1.00 0.43 O ATOM 0 H TYR A 99 -8.014 3.190 -3.433 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.420 4.847 -5.215 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.002 2.177 -3.896 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.107 2.903 -5.047 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -9.978 3.638 -7.336 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.397 0.691 -4.710 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -8.754 2.643 -9.206 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.151 -0.304 -6.577 1.00 0.32 H new ATOM 0 HH TYR A 99 -6.580 -0.142 -8.718 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.646 4.564 -2.189 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.591 5.092 -1.215 1.00 0.27 C ATOM 1493 C PHE A 100 -11.490 6.619 -1.141 1.00 0.32 C ATOM 1494 O PHE A 100 -12.501 7.315 -1.029 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.292 4.445 0.142 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.273 4.732 1.246 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -12.179 5.909 1.967 1.00 0.38 C ATOM 1498 CD2 PHE A 100 -13.305 3.854 1.540 1.00 0.28 C ATOM 1499 CE1 PHE A 100 -13.090 6.208 2.959 1.00 0.43 C ATOM 1500 CE2 PHE A 100 -14.216 4.144 2.538 1.00 0.32 C ATOM 1501 CZ PHE A 100 -14.063 5.203 3.321 1.00 0.37 C ATOM 0 H PHE A 100 -9.966 3.917 -1.790 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.612 4.854 -1.512 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.240 3.365 0.002 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.305 4.773 0.467 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -11.381 6.604 1.750 1.00 0.38 H new ATOM 0 HD2 PHE A 100 -13.398 2.933 0.983 1.00 0.28 H new ATOM 0 HE1 PHE A 100 -13.076 7.169 3.452 1.00 0.43 H new ATOM 0 HE2 PHE A 100 -15.068 3.496 2.683 1.00 0.32 H new ATOM 0 HZ PHE A 100 -14.657 5.313 4.216 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.270 7.134 -1.230 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.044 8.575 -1.200 1.00 0.38 C ATOM 1513 C LYS A 101 -10.442 9.213 -2.528 1.00 0.41 C ATOM 1514 O LYS A 101 -10.826 10.383 -2.576 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.571 8.895 -0.920 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.022 8.292 0.365 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.702 8.853 1.608 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.302 10.301 1.857 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.003 10.881 3.032 1.00 0.74 N ATOM 0 H LYS A 101 -9.421 6.576 -1.324 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.660 8.983 -0.399 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -7.971 8.540 -1.757 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.450 9.977 -0.878 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.153 7.210 0.340 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -6.950 8.482 0.423 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -9.784 8.788 1.493 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.437 8.247 2.474 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -7.225 10.357 2.014 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -8.526 10.896 0.972 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -8.701 11.867 3.164 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -10.030 10.852 2.872 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -8.769 10.330 3.883 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.351 8.440 -3.604 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.583 8.969 -4.938 1.00 0.40 C ATOM 1535 C GLU A 102 -12.023 8.716 -5.398 1.00 0.39 C ATOM 1536 O GLU A 102 -12.402 9.074 -6.516 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.580 8.368 -5.918 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.052 7.110 -6.613 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.029 6.591 -7.601 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -9.046 7.023 -8.767 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.212 5.728 -7.211 1.00 0.45 O ATOM 0 H GLU A 102 -10.119 7.447 -3.577 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.440 10.049 -4.909 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.338 9.115 -6.674 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.657 8.146 -5.382 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.260 6.341 -5.869 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -10.988 7.312 -7.133 1.00 0.38 H new ATOM 1548 N GLU A 103 -12.810 8.094 -4.518 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.231 7.820 -4.760 1.00 0.35 C ATOM 1550 C GLU A 103 -14.418 6.687 -5.782 1.00 0.35 C ATOM 1551 O GLU A 103 -15.429 6.611 -6.481 1.00 0.45 O ATOM 1552 CB GLU A 103 -14.965 9.097 -5.198 1.00 0.38 C ATOM 1553 CG GLU A 103 -16.474 9.037 -5.022 1.00 1.11 C ATOM 1554 CD GLU A 103 -17.150 10.343 -5.370 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -17.250 11.220 -4.486 1.00 1.31 O ATOM 1556 OE2 GLU A 103 -17.594 10.497 -6.527 1.00 1.47 O ATOM 0 H GLU A 103 -12.479 7.764 -3.612 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.672 7.484 -3.822 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.577 9.940 -4.627 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -14.740 9.291 -6.247 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -16.878 8.244 -5.650 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -16.706 8.775 -3.990 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.436 5.801 -5.851 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.537 4.585 -6.647 1.00 0.31 C ATOM 1565 C LYS A 104 -13.815 3.402 -5.730 1.00 0.28 C ATOM 1566 O LYS A 104 -13.079 2.416 -5.716 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.254 4.351 -7.440 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.180 5.158 -8.724 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.117 4.638 -9.674 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.434 3.226 -10.131 1.00 1.11 C ATOM 1571 NZ LYS A 104 -10.579 2.803 -11.270 1.00 1.89 N ATOM 0 H LYS A 104 -12.549 5.903 -5.359 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.357 4.693 -7.357 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.398 4.601 -6.813 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.174 3.291 -7.681 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.150 5.135 -9.221 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -11.970 6.200 -8.483 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -11.046 5.296 -10.540 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -10.145 4.654 -9.181 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -11.296 2.536 -9.298 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -12.482 3.167 -10.423 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -10.793 1.816 -11.517 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -10.767 3.414 -12.090 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -9.578 2.883 -11.001 1.00 1.89 H new ATOM 1585 N TYR A 105 -14.889 3.518 -4.963 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.225 2.535 -3.933 1.00 0.25 C ATOM 1587 C TYR A 105 -15.458 1.149 -4.519 1.00 0.26 C ATOM 1588 O TYR A 105 -15.238 0.146 -3.842 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.452 2.983 -3.142 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.254 4.303 -2.440 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.394 4.408 -1.362 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -16.936 5.438 -2.849 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.217 5.609 -0.709 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -16.767 6.642 -2.201 1.00 0.39 C ATOM 1595 CZ TYR A 105 -15.869 6.738 -1.168 1.00 0.38 C ATOM 1596 OH TYR A 105 -15.742 7.925 -0.480 1.00 0.46 O ATOM 0 H TYR A 105 -15.552 4.290 -5.033 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.369 2.470 -3.261 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.304 3.062 -3.818 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -16.700 2.220 -2.404 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -14.853 3.536 -1.027 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.611 5.378 -3.690 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.573 5.667 0.156 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.339 7.506 -2.505 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.261 8.623 -0.933 1.00 0.46 H new ATOM 1606 N LYS A 106 -15.884 1.092 -5.776 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.100 -0.188 -6.443 1.00 0.35 C ATOM 1608 C LYS A 106 -14.801 -0.981 -6.466 1.00 0.31 C ATOM 1609 O LYS A 106 -14.785 -2.189 -6.215 1.00 0.31 O ATOM 1610 CB LYS A 106 -16.602 0.018 -7.873 1.00 0.44 C ATOM 1611 CG LYS A 106 -17.821 0.918 -7.970 1.00 0.56 C ATOM 1612 CD LYS A 106 -18.294 1.058 -9.408 1.00 0.78 C ATOM 1613 CE LYS A 106 -19.456 2.031 -9.523 1.00 0.94 C ATOM 1614 NZ LYS A 106 -19.057 3.419 -9.169 1.00 1.57 N ATOM 0 H LYS A 106 -16.086 1.910 -6.351 1.00 0.31 H new ATOM 0 HA LYS A 106 -16.858 -0.741 -5.888 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -15.798 0.445 -8.473 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -16.843 -0.952 -8.307 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -18.626 0.510 -7.359 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -17.582 1.902 -7.567 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -17.468 1.401 -10.031 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -18.597 0.082 -9.789 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -19.844 2.014 -10.542 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -20.265 1.708 -8.868 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -19.794 4.083 -9.482 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -18.938 3.494 -8.139 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -18.159 3.653 -9.639 1.00 1.57 H new ATOM 1628 N ASP A 107 -13.709 -0.285 -6.752 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.389 -0.898 -6.759 1.00 0.29 C ATOM 1630 C ASP A 107 -11.845 -0.997 -5.342 1.00 0.23 C ATOM 1631 O ASP A 107 -11.135 -1.947 -5.010 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.423 -0.111 -7.647 1.00 0.33 C ATOM 1633 CG ASP A 107 -11.509 -0.517 -9.104 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -12.415 -0.032 -9.810 1.00 0.64 O ATOM 1635 OD2 ASP A 107 -10.665 -1.321 -9.557 1.00 0.67 O ATOM 0 H ASP A 107 -13.712 0.708 -6.983 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.484 -1.903 -7.170 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -11.638 0.954 -7.557 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.404 -0.261 -7.291 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.194 -0.019 -4.507 1.00 0.22 N ATOM 1641 CA ALA A 108 -11.796 -0.026 -3.102 1.00 0.18 C ATOM 1642 C ALA A 108 -12.199 -1.338 -2.441 1.00 0.16 C ATOM 1643 O ALA A 108 -11.355 -2.082 -1.946 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.408 1.158 -2.355 1.00 0.18 C ATOM 0 H ALA A 108 -12.753 0.789 -4.781 1.00 0.22 H new ATOM 0 HA ALA A 108 -10.711 0.068 -3.057 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.096 1.130 -1.311 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.070 2.089 -2.810 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.495 1.101 -2.411 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.494 -1.626 -2.482 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.053 -2.832 -1.876 1.00 0.18 C ATOM 1652 C ILE A 109 -13.488 -4.091 -2.517 1.00 0.19 C ATOM 1653 O ILE A 109 -13.257 -5.092 -1.834 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.588 -2.826 -2.005 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.152 -1.641 -1.239 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.187 -4.119 -1.484 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.404 -1.066 -1.850 1.00 0.51 C ATOM 0 H ILE A 109 -14.188 -1.031 -2.936 1.00 0.17 H new ATOM 0 HA ILE A 109 -13.775 -2.834 -0.822 1.00 0.18 H new ATOM 0 HB ILE A 109 -15.849 -2.740 -3.060 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.366 -1.950 -0.216 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.393 -0.860 -1.184 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.272 -4.085 -1.588 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -15.793 -4.959 -2.056 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -15.927 -4.243 -0.433 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -17.748 -0.224 -1.249 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.191 -0.726 -2.863 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.179 -1.832 -1.880 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.255 -4.035 -3.826 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.660 -5.159 -4.537 1.00 0.23 C ATOM 1671 C HIS A 110 -11.370 -5.586 -3.856 1.00 0.20 C ATOM 1672 O HIS A 110 -11.220 -6.736 -3.447 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.366 -4.793 -5.998 1.00 0.27 C ATOM 1674 CG HIS A 110 -11.749 -5.912 -6.783 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.490 -6.852 -7.459 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.451 -6.241 -6.992 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -11.677 -7.707 -8.048 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.434 -7.358 -7.784 1.00 0.40 N ATOM 0 H HIS A 110 -13.468 -3.227 -4.411 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.374 -5.983 -4.519 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.294 -4.489 -6.482 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -11.698 -3.932 -6.021 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -13.509 -6.883 -7.499 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -9.589 -5.718 -6.605 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -11.980 -8.553 -8.647 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.449 -4.646 -3.725 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.149 -4.934 -3.154 1.00 0.17 C ATOM 1689 C PHE A 111 -9.236 -5.102 -1.642 1.00 0.16 C ATOM 1690 O PHE A 111 -8.411 -5.788 -1.057 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.148 -3.846 -3.532 1.00 0.17 C ATOM 1692 CG PHE A 111 -7.831 -3.820 -5.002 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -6.903 -4.696 -5.543 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.458 -2.915 -5.845 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -6.608 -4.668 -6.892 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.164 -2.884 -7.194 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.237 -3.760 -7.717 1.00 0.32 C ATOM 0 H PHE A 111 -10.580 -3.675 -4.008 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.797 -5.879 -3.567 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.546 -2.876 -3.235 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.226 -3.998 -2.970 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.405 -5.409 -4.902 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.185 -2.226 -5.442 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -5.884 -5.358 -7.301 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -8.660 -2.174 -7.839 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.004 -3.735 -8.771 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.240 -4.491 -1.015 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.497 -4.706 0.412 1.00 0.17 C ATOM 1709 C TYR A 112 -10.833 -6.167 0.679 1.00 0.20 C ATOM 1710 O TYR A 112 -10.251 -6.787 1.555 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.659 -3.840 0.912 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.351 -2.371 1.092 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.060 -1.960 1.403 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.327 -1.395 0.923 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -9.751 -0.629 1.547 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.021 -0.057 1.062 1.00 0.23 C ATOM 1717 CZ TYR A 112 -10.840 0.330 1.471 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.421 1.650 1.508 1.00 0.32 O ATOM 0 H TYR A 112 -10.887 -3.846 -1.468 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.589 -4.426 0.946 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.487 -3.935 0.210 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.002 -4.240 1.866 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.285 -2.701 1.534 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.338 -1.688 0.680 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -8.733 -0.307 1.711 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -12.770 0.685 0.829 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.039 2.174 2.059 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.773 -6.714 -0.075 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.128 -8.124 0.052 1.00 0.28 C ATOM 1730 C ASN A 113 -10.908 -8.993 -0.255 1.00 0.27 C ATOM 1731 O ASN A 113 -10.758 -10.088 0.276 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.283 -8.457 -0.899 1.00 0.34 C ATOM 1733 CG ASN A 113 -13.801 -9.875 -0.748 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -14.236 -10.491 -1.722 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -13.786 -10.391 0.469 1.00 1.23 N ATOM 0 H ASN A 113 -12.305 -6.206 -0.782 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.451 -8.327 1.073 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -14.101 -7.759 -0.723 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -12.952 -8.307 -1.927 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -14.144 -11.333 0.628 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -13.417 -9.847 1.249 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.034 -8.473 -1.106 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.747 -9.097 -1.389 1.00 0.24 C ATOM 1744 C LYS A 114 -7.813 -8.972 -0.183 1.00 0.21 C ATOM 1745 O LYS A 114 -6.965 -9.828 0.054 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.124 -8.437 -2.598 1.00 0.26 C ATOM 1747 CG LYS A 114 -8.863 -8.713 -3.881 1.00 0.34 C ATOM 1748 CD LYS A 114 -7.970 -9.482 -4.813 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.543 -9.557 -6.204 1.00 0.48 C ATOM 1750 NZ LYS A 114 -9.724 -10.462 -6.277 1.00 1.25 N ATOM 0 H LYS A 114 -10.196 -7.607 -1.620 1.00 0.25 H new ATOM 0 HA LYS A 114 -8.903 -10.156 -1.593 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.086 -7.360 -2.435 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.095 -8.781 -2.700 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.770 -9.282 -3.676 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.172 -7.776 -4.345 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -6.989 -9.008 -4.849 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -7.823 -10.490 -4.426 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -8.832 -8.558 -6.531 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -7.775 -9.908 -6.893 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -10.085 -10.483 -7.252 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -9.444 -11.422 -5.991 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -10.468 -10.114 -5.639 1.00 1.25 H new ATOM 1764 N SER A 115 -7.978 -7.895 0.575 1.00 0.20 N ATOM 1765 CA SER A 115 -7.230 -7.702 1.807 1.00 0.21 C ATOM 1766 C SER A 115 -7.699 -8.742 2.820 1.00 0.25 C ATOM 1767 O SER A 115 -6.893 -9.396 3.480 1.00 0.28 O ATOM 1768 CB SER A 115 -7.467 -6.295 2.366 1.00 0.23 C ATOM 1769 OG SER A 115 -7.662 -5.343 1.340 1.00 1.04 O ATOM 0 H SER A 115 -8.627 -7.139 0.355 1.00 0.20 H new ATOM 0 HA SER A 115 -6.164 -7.815 1.609 1.00 0.21 H new ATOM 0 HB2 SER A 115 -8.339 -6.307 3.020 1.00 0.23 H new ATOM 0 HB3 SER A 115 -6.614 -6.000 2.977 1.00 0.23 H new ATOM 0 HG SER A 115 -7.510 -4.443 1.696 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.025 -8.891 2.913 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.640 -9.933 3.731 1.00 0.31 C ATOM 1777 C LEU A 116 -9.172 -11.309 3.265 1.00 0.33 C ATOM 1778 O LEU A 116 -8.972 -12.221 4.071 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.180 -9.871 3.649 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.887 -8.808 4.511 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.258 -8.710 5.880 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.889 -7.450 3.841 1.00 0.35 C ATOM 0 H LEU A 116 -9.695 -8.296 2.426 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.336 -9.767 4.764 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.457 -9.701 2.608 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.573 -10.849 3.928 1.00 0.34 H new ATOM 0 HG LEU A 116 -12.922 -9.130 4.624 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.778 -7.952 6.466 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.333 -9.673 6.385 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.208 -8.434 5.779 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.397 -6.729 4.482 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.862 -7.126 3.673 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.409 -7.516 2.886 1.00 0.35 H new ATOM 1794 N ALA A 117 -9.002 -11.435 1.953 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.568 -12.675 1.325 1.00 0.33 C ATOM 1796 C ALA A 117 -7.230 -13.143 1.884 1.00 0.33 C ATOM 1797 O ALA A 117 -7.063 -14.318 2.217 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.476 -12.481 -0.182 1.00 0.32 C ATOM 0 H ALA A 117 -9.163 -10.674 1.293 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.305 -13.448 1.546 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.151 -13.411 -0.649 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.454 -12.201 -0.573 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.757 -11.692 -0.404 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.288 -12.218 2.001 1.00 0.29 N ATOM 1805 CA GLU A 118 -4.954 -12.554 2.473 1.00 0.30 C ATOM 1806 C GLU A 118 -4.865 -12.515 3.996 1.00 0.32 C ATOM 1807 O GLU A 118 -4.393 -13.461 4.621 1.00 0.36 O ATOM 1808 CB GLU A 118 -3.926 -11.604 1.863 1.00 0.27 C ATOM 1809 CG GLU A 118 -3.823 -11.719 0.352 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.562 -13.138 -0.108 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.599 -13.762 0.385 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.322 -13.641 -0.959 1.00 0.53 O ATOM 0 H GLU A 118 -6.423 -11.232 1.776 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.739 -13.574 2.155 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.188 -10.579 2.125 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -2.949 -11.806 2.303 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.747 -11.359 -0.100 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -3.021 -11.072 -0.004 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.336 -11.434 4.596 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.215 -11.256 6.036 1.00 0.36 C ATOM 1821 C HIS A 119 -6.408 -10.469 6.574 1.00 0.37 C ATOM 1822 O HIS A 119 -6.438 -9.238 6.519 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.867 -10.576 6.352 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.678 -10.079 7.758 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.755 -9.105 8.087 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -4.248 -10.453 8.918 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.765 -8.916 9.393 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.662 -9.723 9.920 1.00 0.50 N ATOM 0 H HIS A 119 -5.804 -10.668 4.111 1.00 0.32 H new ATOM 0 HA HIS A 119 -5.226 -12.224 6.537 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -3.068 -11.284 6.130 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.743 -9.733 5.673 1.00 0.35 H new ATOM 0 HD2 HIS A 119 -5.025 -11.193 9.038 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -2.144 -8.219 9.936 1.00 0.48 H new ATOM 0 HE2 HIS A 119 -3.885 -9.794 10.913 1.00 0.50 H new ATOM 1837 N ARG A 120 -7.381 -11.208 7.098 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.599 -10.625 7.643 1.00 0.43 C ATOM 1839 C ARG A 120 -8.279 -9.694 8.805 1.00 0.46 C ATOM 1840 O ARG A 120 -7.763 -10.123 9.837 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.555 -11.730 8.103 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.864 -11.212 8.678 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.748 -12.345 9.166 1.00 0.62 C ATOM 1844 NE ARG A 120 -12.224 -13.189 8.071 1.00 1.38 N ATOM 1845 CZ ARG A 120 -13.062 -14.210 8.233 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -13.496 -14.530 9.444 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -13.467 -14.910 7.180 1.00 2.87 N ATOM 0 H ARG A 120 -7.346 -12.226 7.156 1.00 0.41 H new ATOM 0 HA ARG A 120 -9.081 -10.043 6.857 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.774 -12.383 7.258 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -9.055 -12.340 8.856 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.655 -10.531 9.503 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.394 -10.638 7.918 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -11.192 -12.956 9.877 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -12.603 -11.931 9.701 1.00 0.62 H new ATOM 0 HE ARG A 120 -11.895 -12.983 7.128 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -13.188 -13.993 10.255 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -14.138 -15.313 9.565 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -13.136 -14.665 6.247 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -14.109 -15.693 7.304 1.00 2.87 H new ATOM 1861 N THR A 121 -8.574 -8.419 8.621 1.00 0.45 N ATOM 1862 CA THR A 121 -8.305 -7.417 9.634 1.00 0.50 C ATOM 1863 C THR A 121 -9.447 -6.409 9.718 1.00 0.49 C ATOM 1864 O THR A 121 -10.070 -6.065 8.708 1.00 0.47 O ATOM 1865 CB THR A 121 -6.983 -6.695 9.346 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.783 -6.567 7.931 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.815 -7.429 9.972 1.00 0.62 C ATOM 0 H THR A 121 -9.003 -8.052 7.772 1.00 0.45 H new ATOM 0 HA THR A 121 -8.222 -7.926 10.594 1.00 0.50 H new ATOM 0 HB THR A 121 -7.039 -5.700 9.788 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.551 -7.441 7.553 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.890 -6.896 9.752 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.955 -7.483 11.052 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.758 -8.438 9.563 1.00 0.62 H new ATOM 1875 N PRO A 122 -9.731 -5.927 10.942 1.00 0.56 N ATOM 1876 CA PRO A 122 -10.906 -5.114 11.235 1.00 0.56 C ATOM 1877 C PRO A 122 -10.888 -3.762 10.539 1.00 0.51 C ATOM 1878 O PRO A 122 -11.938 -3.193 10.266 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.870 -4.933 12.752 1.00 0.65 C ATOM 1880 CG PRO A 122 -9.857 -5.883 13.263 1.00 0.76 C ATOM 1881 CD PRO A 122 -8.916 -6.145 12.143 1.00 0.69 C ATOM 0 HA PRO A 122 -11.813 -5.599 10.875 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -10.608 -3.908 13.015 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.847 -5.135 13.190 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -9.331 -5.464 14.121 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -10.327 -6.808 13.598 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -8.060 -5.470 12.173 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -8.523 -7.161 12.180 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.693 -3.253 10.260 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.540 -1.980 9.557 1.00 0.48 C ATOM 1891 C ASP A 123 -10.069 -2.081 8.146 1.00 0.40 C ATOM 1892 O ASP A 123 -10.782 -1.195 7.678 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.077 -1.548 9.505 1.00 0.55 C ATOM 1894 CG ASP A 123 -7.448 -1.379 10.872 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -7.294 -2.387 11.591 1.00 2.20 O ATOM 1896 OD2 ASP A 123 -7.074 -0.239 11.223 1.00 2.06 O ATOM 0 H ASP A 123 -8.812 -3.703 10.510 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.112 -1.236 10.111 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.508 -2.287 8.941 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -8.004 -0.606 8.961 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.726 -3.159 7.464 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.161 -3.315 6.094 1.00 0.29 C ATOM 1903 C VAL A 124 -11.603 -3.775 6.057 1.00 0.28 C ATOM 1904 O VAL A 124 -12.345 -3.427 5.152 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.320 -4.314 5.296 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.479 -4.038 3.815 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.857 -4.282 5.704 1.00 0.31 C ATOM 0 H VAL A 124 -9.159 -3.924 7.830 1.00 0.35 H new ATOM 0 HA VAL A 124 -10.043 -2.336 5.630 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.682 -5.318 5.516 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -8.880 -4.749 3.246 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.528 -4.142 3.536 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.144 -3.024 3.596 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.298 -5.007 5.112 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.453 -3.284 5.532 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.769 -4.532 6.761 1.00 0.31 H new ATOM 1917 N LEU A 125 -11.988 -4.570 7.042 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.373 -4.994 7.175 1.00 0.38 C ATOM 1919 C LEU A 125 -14.245 -3.761 7.388 1.00 0.38 C ATOM 1920 O LEU A 125 -15.301 -3.610 6.769 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.498 -5.981 8.340 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.825 -6.736 8.437 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.609 -8.079 9.116 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -15.855 -5.924 9.209 1.00 0.54 C ATOM 0 H LEU A 125 -11.362 -4.935 7.760 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.707 -5.503 6.271 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.692 -6.711 8.261 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.344 -5.436 9.271 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.202 -6.899 7.427 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.558 -8.611 9.181 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -13.901 -8.671 8.535 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.212 -7.920 10.119 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.790 -6.481 9.265 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.486 -5.732 10.217 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -16.027 -4.976 8.699 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.765 -2.875 8.254 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.382 -1.577 8.478 1.00 0.42 C ATOM 1938 C LYS A 126 -14.483 -0.802 7.172 1.00 0.39 C ATOM 1939 O LYS A 126 -15.556 -0.338 6.789 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.543 -0.783 9.479 1.00 0.48 C ATOM 1941 CG LYS A 126 -13.976 0.661 9.641 1.00 0.58 C ATOM 1942 CD LYS A 126 -13.064 1.407 10.596 1.00 0.72 C ATOM 1943 CE LYS A 126 -13.656 2.749 10.989 1.00 1.37 C ATOM 1944 NZ LYS A 126 -14.891 2.591 11.804 1.00 2.04 N ATOM 0 H LYS A 126 -12.934 -3.040 8.822 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.386 -1.728 8.874 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.591 -1.277 10.450 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.501 -0.805 9.161 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -13.971 1.155 8.670 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -15.001 0.696 10.011 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -12.898 0.805 11.489 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -12.091 1.559 10.129 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -12.919 3.320 11.553 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -13.884 3.323 10.091 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -15.066 3.464 12.342 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -15.699 2.403 11.177 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -14.772 1.796 12.464 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.349 -0.681 6.499 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.245 0.069 5.256 1.00 0.31 C ATOM 1960 C LYS A 127 -14.123 -0.515 4.165 1.00 0.27 C ATOM 1961 O LYS A 127 -14.752 0.219 3.405 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.793 0.087 4.791 1.00 0.31 C ATOM 1963 CG LYS A 127 -11.111 1.429 5.002 1.00 0.52 C ATOM 1964 CD LYS A 127 -11.276 1.944 6.424 1.00 0.55 C ATOM 1965 CE LYS A 127 -11.124 3.458 6.475 1.00 0.82 C ATOM 1966 NZ LYS A 127 -9.712 3.897 6.311 1.00 1.48 N ATOM 0 H LYS A 127 -12.470 -1.102 6.801 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.590 1.084 5.450 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.238 -0.683 5.326 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.754 -0.170 3.732 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -10.049 1.334 4.773 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.524 2.157 4.304 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.256 1.660 6.806 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.534 1.478 7.072 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -11.734 3.907 5.691 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.507 3.826 7.427 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -9.641 4.916 6.504 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -9.107 3.375 6.977 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -9.400 3.707 5.337 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.162 -1.831 4.094 1.00 0.27 N ATOM 1981 CA CYS A 128 -14.904 -2.514 3.058 1.00 0.26 C ATOM 1982 C CYS A 128 -16.388 -2.221 3.192 1.00 0.29 C ATOM 1983 O CYS A 128 -17.043 -1.824 2.227 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.648 -4.022 3.127 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.448 -4.975 1.817 1.00 0.91 S ATOM 0 H CYS A 128 -13.684 -2.451 4.748 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.565 -2.149 2.088 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.573 -4.198 3.083 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -14.993 -4.393 4.092 1.00 0.26 H new ATOM 0 HG CYS A 128 -15.168 -6.236 1.964 1.00 0.91 H new ATOM 1991 N GLN A 129 -16.911 -2.403 4.398 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.305 -2.102 4.668 1.00 0.36 C ATOM 1993 C GLN A 129 -18.563 -0.610 4.541 1.00 0.32 C ATOM 1994 O GLN A 129 -19.624 -0.197 4.084 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.708 -2.580 6.058 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.757 -4.090 6.184 1.00 0.50 C ATOM 1997 CD GLN A 129 -19.228 -4.550 7.549 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -18.859 -5.627 8.014 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -20.043 -3.739 8.206 1.00 1.10 N ATOM 0 H GLN A 129 -16.390 -2.757 5.200 1.00 0.32 H new ATOM 0 HA GLN A 129 -18.909 -2.631 3.931 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -18.003 -2.184 6.789 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.687 -2.170 6.306 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.423 -4.492 5.420 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.765 -4.499 5.990 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -20.327 -2.853 7.788 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -20.386 -4.000 9.130 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.578 0.193 4.939 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.688 1.642 4.847 1.00 0.30 C ATOM 2010 C GLN A 130 -17.891 2.062 3.400 1.00 0.26 C ATOM 2011 O GLN A 130 -18.870 2.715 3.072 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.439 2.327 5.410 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.559 3.839 5.491 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.764 4.285 6.295 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -18.849 4.483 5.755 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -17.581 4.440 7.592 1.00 1.65 N ATOM 0 H GLN A 130 -16.695 -0.139 5.328 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.549 1.951 5.439 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -16.237 1.933 6.406 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.582 2.072 4.786 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.655 4.248 5.941 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -16.627 4.249 4.483 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -16.664 4.265 8.002 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -18.357 4.735 8.185 1.00 1.65 H new ATOM 2025 N ALA A 131 -16.976 1.655 2.536 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.047 2.005 1.124 1.00 0.21 C ATOM 2027 C ALA A 131 -18.335 1.492 0.491 1.00 0.23 C ATOM 2028 O ALA A 131 -18.929 2.153 -0.362 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.840 1.445 0.396 1.00 0.20 C ATOM 0 H ALA A 131 -16.172 1.080 2.787 1.00 0.23 H new ATOM 0 HA ALA A 131 -17.046 3.092 1.039 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -15.897 1.709 -0.660 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -14.930 1.863 0.826 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -15.825 0.360 0.498 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.767 0.319 0.929 1.00 0.26 N ATOM 2036 CA GLU A 132 -19.958 -0.320 0.390 1.00 0.35 C ATOM 2037 C GLU A 132 -21.216 0.441 0.813 1.00 0.35 C ATOM 2038 O GLU A 132 -22.109 0.690 -0.001 1.00 0.43 O ATOM 2039 CB GLU A 132 -19.997 -1.766 0.861 1.00 0.48 C ATOM 2040 CG GLU A 132 -20.511 -2.766 -0.165 1.00 1.02 C ATOM 2041 CD GLU A 132 -21.995 -2.660 -0.428 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -22.789 -2.941 0.494 1.00 1.41 O ATOM 2043 OE2 GLU A 132 -22.375 -2.254 -1.543 1.00 2.04 O ATOM 0 H GLU A 132 -18.304 -0.215 1.665 1.00 0.26 H new ATOM 0 HA GLU A 132 -19.925 -0.304 -0.699 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -18.992 -2.061 1.161 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -20.625 -1.825 1.750 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -19.974 -2.620 -1.102 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.283 -3.775 0.179 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.271 0.834 2.085 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.404 1.600 2.597 1.00 0.36 C ATOM 2052 C LYS A 133 -22.356 3.032 2.071 1.00 0.37 C ATOM 2053 O LYS A 133 -23.391 3.653 1.850 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.427 1.593 4.132 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.290 2.370 4.776 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.198 2.118 6.274 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.446 2.592 7.001 1.00 1.04 C ATOM 2058 NZ LYS A 133 -22.338 2.408 8.471 1.00 1.90 N ATOM 0 H LYS A 133 -20.548 0.635 2.776 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.320 1.127 2.245 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.375 2.010 4.472 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.390 0.561 4.480 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.348 2.091 4.304 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -21.433 3.436 4.597 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -21.053 1.053 6.456 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.325 2.632 6.677 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -22.617 3.645 6.779 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -23.312 2.044 6.630 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -23.210 2.744 8.928 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -22.201 1.400 8.686 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -21.527 2.952 8.830 1.00 1.90 H new ATOM 2072 N ILE A 134 -21.143 3.543 1.874 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.938 4.857 1.277 1.00 0.34 C ATOM 2074 C ILE A 134 -21.496 4.887 -0.136 1.00 0.39 C ATOM 2075 O ILE A 134 -22.280 5.769 -0.482 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.437 5.242 1.255 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.950 5.623 2.645 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -19.176 6.385 0.308 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.473 5.953 2.701 1.00 0.33 C ATOM 0 H ILE A 134 -20.280 3.060 2.123 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.468 5.585 1.892 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.889 4.365 0.910 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.519 6.483 2.997 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -19.156 4.801 3.331 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -18.114 6.630 0.317 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.474 6.097 -0.700 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.751 7.256 0.622 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -17.197 6.215 3.722 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.894 5.087 2.380 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -17.263 6.795 2.041 1.00 0.33 H new ATOM 2091 N LEU A 135 -21.112 3.903 -0.940 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.622 3.787 -2.298 1.00 0.48 C ATOM 2093 C LEU A 135 -23.140 3.611 -2.284 1.00 0.58 C ATOM 2094 O LEU A 135 -23.837 4.043 -3.204 1.00 0.71 O ATOM 2095 CB LEU A 135 -20.955 2.611 -3.019 1.00 0.51 C ATOM 2096 CG LEU A 135 -19.880 2.983 -4.036 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.280 1.730 -4.653 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -20.449 3.881 -5.119 1.00 1.37 C ATOM 0 H LEU A 135 -20.449 3.175 -0.674 1.00 0.38 H new ATOM 0 HA LEU A 135 -21.385 4.704 -2.837 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -20.510 1.955 -2.271 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -21.728 2.035 -3.529 1.00 0.51 H new ATOM 0 HG LEU A 135 -19.094 3.530 -3.516 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -18.515 2.011 -5.376 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -18.832 1.118 -3.870 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -20.063 1.161 -5.155 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -19.664 4.133 -5.832 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -21.256 3.361 -5.636 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -20.836 4.795 -4.668 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.648 2.993 -1.224 1.00 0.58 N ATOM 2111 CA LYS A 136 -25.084 2.812 -1.058 1.00 0.72 C ATOM 2112 C LYS A 136 -25.766 4.144 -0.747 1.00 0.77 C ATOM 2113 O LYS A 136 -26.933 4.350 -1.073 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.370 1.794 0.049 1.00 0.79 C ATOM 2115 CG LYS A 136 -26.848 1.498 0.249 1.00 1.26 C ATOM 2116 CD LYS A 136 -27.481 0.933 -1.012 1.00 1.73 C ATOM 2117 CE LYS A 136 -28.982 0.756 -0.851 1.00 2.54 C ATOM 2118 NZ LYS A 136 -29.622 0.287 -2.108 1.00 3.36 N ATOM 0 H LYS A 136 -23.085 2.608 -0.466 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.491 2.431 -1.995 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -24.852 0.864 -0.184 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -24.954 2.165 0.986 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -26.970 0.788 1.067 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -27.367 2.412 0.539 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -27.280 1.599 -1.851 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -27.024 -0.027 -1.251 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -29.180 0.040 -0.054 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -29.429 1.703 -0.547 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -30.654 0.260 -1.983 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -29.384 0.939 -2.883 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -29.276 -0.666 -2.339 1.00 3.36 H new ATOM 2132 N GLU A 137 -25.029 5.052 -0.123 1.00 0.70 N ATOM 2133 CA GLU A 137 -25.557 6.370 0.202 1.00 0.82 C ATOM 2134 C GLU A 137 -25.399 7.317 -0.979 1.00 0.87 C ATOM 2135 O GLU A 137 -26.032 8.373 -1.034 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.854 6.946 1.429 1.00 0.82 C ATOM 2137 CG GLU A 137 -25.020 6.083 2.661 1.00 1.02 C ATOM 2138 CD GLU A 137 -24.289 6.626 3.867 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -23.044 6.568 3.888 1.00 2.01 O ATOM 2140 OE2 GLU A 137 -24.959 7.109 4.803 1.00 2.28 O ATOM 0 H GLU A 137 -24.063 4.900 0.169 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.618 6.262 0.426 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.792 7.061 1.212 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -25.248 7.942 1.633 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -26.081 5.995 2.896 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -24.657 5.078 2.445 1.00 1.02 H new ATOM 2147 N GLN A 138 -24.544 6.935 -1.920 1.00 0.80 N ATOM 2148 CA GLN A 138 -24.307 7.740 -3.109 1.00 0.89 C ATOM 2149 C GLN A 138 -25.463 7.607 -4.086 1.00 1.04 C ATOM 2150 O GLN A 138 -25.811 8.556 -4.788 1.00 1.19 O ATOM 2151 CB GLN A 138 -23.007 7.330 -3.782 1.00 0.87 C ATOM 2152 CG GLN A 138 -21.803 7.571 -2.905 1.00 0.80 C ATOM 2153 CD GLN A 138 -20.515 7.077 -3.518 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -19.616 6.650 -2.812 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -20.406 7.154 -4.835 1.00 1.60 N ATOM 0 H GLN A 138 -24.003 6.071 -1.881 1.00 0.80 H new ATOM 0 HA GLN A 138 -24.229 8.783 -2.801 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -23.055 6.273 -4.046 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -22.892 7.886 -4.713 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.716 8.639 -2.703 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -21.955 7.076 -1.946 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -21.181 7.517 -5.390 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -19.547 6.850 -5.294 1.00 1.60 H new ATOM 2164 N GLU A 139 -26.050 6.422 -4.122 1.00 1.14 N ATOM 2165 CA GLU A 139 -27.196 6.162 -4.975 1.00 1.35 C ATOM 2166 C GLU A 139 -28.481 6.656 -4.311 1.00 1.86 C ATOM 2167 O GLU A 139 -28.877 7.811 -4.575 1.00 2.30 O ATOM 2168 CB GLU A 139 -27.287 4.669 -5.307 1.00 1.47 C ATOM 2169 CG GLU A 139 -27.121 3.754 -4.103 1.00 1.46 C ATOM 2170 CD GLU A 139 -27.417 2.307 -4.422 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -26.534 1.626 -4.988 1.00 1.94 O ATOM 2172 OE2 GLU A 139 -28.530 1.839 -4.107 1.00 2.99 O ATOM 2173 OXT GLU A 139 -29.086 5.902 -3.519 1.00 2.51 O ATOM 0 H GLU A 139 -25.749 5.621 -3.567 1.00 1.14 H new ATOM 0 HA GLU A 139 -27.067 6.710 -5.909 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -28.253 4.469 -5.771 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -26.522 4.424 -6.044 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -26.101 3.837 -3.727 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -27.783 4.088 -3.304 1.00 1.46 H new TER 2180 GLU A 139