USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 915 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 104 SER OG : rot -148:sc= 1.86 USER MOD Set 1.2: A 111 GLN : amide:sc= 1.88 K(o=4.5,f=0.33) USER MOD Set 1.3: A 113 TYR OH : rot -143:sc= 0.772 USER MOD Set 2.1: A 80 HIS : no HD1:sc= 0.832 K(o=1.6,f=-9.2!) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -0.484 K(o=1.6,f=-4!) USER MOD Set 2.3: A 145 SER OG : rot 79:sc= 1.26 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -115:sc= 0.86 (180deg=-0.0043) USER MOD Set 3.2: A 115 ASN : amide:sc= -0.0277 K(o=0.83,f=0.32) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0831 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 123:sc= 1.03 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.955 X(o=-0.96,f=-0.6) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= 2.34 (180deg=0.928) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 66 GLN : amide:sc= -3.47! C(o=-3.5!,f=-9.4!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.37 USER MOD Single : A 70 SER OG : rot -120:sc= -0.0832 USER MOD Single : A 71 ASN : amide:sc= -0.0542 K(o=-0.054,f=-2.2!) USER MOD Single : A 75 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.57) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0625 K(o=-0.063,f=-6.8!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 122 CYS SG : rot -30:sc= -0.821 USER MOD Single : A 127 GLN : amide:sc= 0.583 K(o=0.58,f=-0.092) USER MOD Single : A 128 MET CE :methyl 175:sc= -1.32 (180deg=-1.36) USER MOD Single : A 130 GLN : amide:sc= 0.454 X(o=0.45,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 139 LYS NZ :NH3+ -177:sc= 1.34 (180deg=1.25) USER MOD Single : A 140 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.01) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.454 9.524 -12.187 1.00 17.94 N ATOM 2 CA GLY A 1 -11.863 9.249 -11.836 1.00 17.07 C ATOM 3 C GLY A 1 -12.013 7.968 -11.031 1.00 15.65 C ATOM 4 O GLY A 1 -11.082 7.166 -10.963 1.00 15.49 O ATOM 0 H1 GLY A 1 -10.142 10.396 -11.713 1.00 17.94 H new ATOM 0 H2 GLY A 1 -9.858 8.730 -11.878 1.00 17.94 H new ATOM 0 H3 GLY A 1 -10.369 9.640 -13.217 1.00 17.94 H new ATOM 0 HA2 GLY A 1 -12.263 10.085 -11.263 1.00 17.07 H new ATOM 0 HA3 GLY A 1 -12.455 9.175 -12.748 1.00 17.07 H new ATOM 10 N SER A 2 -13.174 7.770 -10.395 1.00 14.92 N ATOM 11 CA SER A 2 -13.405 6.667 -9.441 1.00 13.85 C ATOM 12 C SER A 2 -13.703 5.300 -10.075 1.00 12.69 C ATOM 13 O SER A 2 -13.443 4.278 -9.438 1.00 12.02 O ATOM 14 CB SER A 2 -14.524 7.027 -8.454 1.00 14.26 C ATOM 15 OG SER A 2 -15.776 7.159 -9.103 1.00 14.10 O ATOM 0 H SER A 2 -13.987 8.372 -10.525 1.00 14.92 H new ATOM 0 HA SER A 2 -12.452 6.553 -8.924 1.00 13.85 H new ATOM 0 HB2 SER A 2 -14.592 6.257 -7.686 1.00 14.26 H new ATOM 0 HB3 SER A 2 -14.276 7.960 -7.949 1.00 14.26 H new ATOM 0 HG SER A 2 -16.464 7.387 -8.443 1.00 14.10 H new ATOM 21 N PHE A 3 -14.211 5.257 -11.310 1.00 12.75 N ATOM 22 CA PHE A 3 -14.485 4.018 -12.051 1.00 12.00 C ATOM 23 C PHE A 3 -13.411 3.751 -13.113 1.00 11.93 C ATOM 24 O PHE A 3 -12.813 4.694 -13.636 1.00 13.08 O ATOM 25 CB PHE A 3 -15.891 4.087 -12.658 1.00 12.72 C ATOM 26 CG PHE A 3 -17.002 4.274 -11.639 1.00 13.14 C ATOM 27 CD1 PHE A 3 -17.239 3.284 -10.667 1.00 12.84 C ATOM 28 CD2 PHE A 3 -17.792 5.440 -11.649 1.00 14.23 C ATOM 29 CE1 PHE A 3 -18.247 3.464 -9.705 1.00 13.68 C ATOM 30 CE2 PHE A 3 -18.807 5.616 -10.692 1.00 14.92 C ATOM 31 CZ PHE A 3 -19.032 4.630 -9.716 1.00 14.67 C ATOM 0 H PHE A 3 -14.449 6.099 -11.835 1.00 12.75 H new ATOM 0 HA PHE A 3 -14.449 3.175 -11.361 1.00 12.00 H new ATOM 0 HB2 PHE A 3 -15.926 4.910 -13.372 1.00 12.72 H new ATOM 0 HB3 PHE A 3 -16.078 3.171 -13.218 1.00 12.72 H new ATOM 0 HD1 PHE A 3 -16.644 2.383 -10.661 1.00 12.84 H new ATOM 0 HD2 PHE A 3 -17.618 6.202 -12.394 1.00 14.23 H new ATOM 0 HE1 PHE A 3 -18.419 2.705 -8.956 1.00 13.68 H new ATOM 0 HE2 PHE A 3 -19.414 6.509 -10.707 1.00 14.92 H new ATOM 0 HZ PHE A 3 -19.806 4.768 -8.976 1.00 14.67 H new ATOM 41 N THR A 4 -13.127 2.480 -13.424 1.00 10.95 N ATOM 42 CA THR A 4 -11.974 2.091 -14.262 1.00 11.09 C ATOM 43 C THR A 4 -12.213 0.930 -15.235 1.00 10.15 C ATOM 44 O THR A 4 -13.122 0.114 -15.064 1.00 9.50 O ATOM 45 CB THR A 4 -10.735 1.762 -13.401 1.00 11.44 C ATOM 46 OG1 THR A 4 -11.003 0.726 -12.478 1.00 10.59 O ATOM 47 CG2 THR A 4 -10.254 2.977 -12.614 1.00 12.80 C ATOM 0 H THR A 4 -13.686 1.689 -13.105 1.00 10.95 H new ATOM 0 HA THR A 4 -11.806 2.976 -14.876 1.00 11.09 H new ATOM 0 HB THR A 4 -9.961 1.446 -14.100 1.00 11.44 H new ATOM 0 HG1 THR A 4 -10.370 -0.009 -12.618 1.00 10.59 H new ATOM 0 HG21 THR A 4 -9.381 2.704 -12.021 1.00 12.80 H new ATOM 0 HG22 THR A 4 -9.988 3.776 -13.306 1.00 12.80 H new ATOM 0 HG23 THR A 4 -11.049 3.320 -11.952 1.00 12.80 H new ATOM 55 N MET A 5 -11.336 0.848 -16.242 1.00 10.38 N ATOM 56 CA MET A 5 -10.906 -0.348 -16.982 1.00 9.70 C ATOM 57 C MET A 5 -11.913 -1.507 -17.146 1.00 8.39 C ATOM 58 O MET A 5 -12.711 -1.490 -18.086 1.00 8.81 O ATOM 59 CB MET A 5 -9.550 -0.782 -16.404 1.00 10.11 C ATOM 60 CG MET A 5 -8.475 0.280 -16.619 1.00 11.71 C ATOM 61 SD MET A 5 -7.933 0.489 -18.337 1.00 12.59 S ATOM 62 CE MET A 5 -6.687 1.782 -18.096 1.00 14.70 C ATOM 0 H MET A 5 -10.869 1.685 -16.591 1.00 10.38 H new ATOM 0 HA MET A 5 -10.822 -0.051 -18.027 1.00 9.70 H new ATOM 0 HB2 MET A 5 -9.656 -0.980 -15.338 1.00 10.11 H new ATOM 0 HB3 MET A 5 -9.237 -1.715 -16.872 1.00 10.11 H new ATOM 0 HG2 MET A 5 -8.852 1.236 -16.255 1.00 11.71 H new ATOM 0 HG3 MET A 5 -7.608 0.026 -16.009 1.00 11.71 H new ATOM 0 HE1 MET A 5 -6.241 2.041 -19.056 1.00 14.70 H new ATOM 0 HE2 MET A 5 -7.158 2.665 -17.664 1.00 14.70 H new ATOM 0 HE3 MET A 5 -5.911 1.418 -17.422 1.00 14.70 H new ATOM 72 N GLY A 35 -11.824 -2.542 -16.307 1.00 7.42 N ATOM 73 CA GLY A 35 -12.388 -3.878 -16.542 1.00 6.59 C ATOM 74 C GLY A 35 -11.308 -4.851 -17.033 1.00 5.71 C ATOM 75 O GLY A 35 -10.547 -4.536 -17.954 1.00 6.15 O ATOM 0 H GLY A 35 -11.340 -2.472 -15.412 1.00 7.42 H new ATOM 0 HA2 GLY A 35 -12.832 -4.256 -15.621 1.00 6.59 H new ATOM 0 HA3 GLY A 35 -13.188 -3.815 -17.279 1.00 6.59 H new ATOM 79 N ALA A 36 -11.210 -6.023 -16.403 1.00 5.10 N ATOM 80 CA ALA A 36 -10.041 -6.897 -16.500 1.00 4.72 C ATOM 81 C ALA A 36 -9.944 -7.638 -17.846 1.00 4.24 C ATOM 82 O ALA A 36 -10.911 -8.251 -18.306 1.00 4.87 O ATOM 83 CB ALA A 36 -10.059 -7.883 -15.325 1.00 5.56 C ATOM 0 H ALA A 36 -11.948 -6.395 -15.805 1.00 5.10 H new ATOM 0 HA ALA A 36 -9.151 -6.270 -16.450 1.00 4.72 H new ATOM 0 HB1 ALA A 36 -9.191 -8.540 -15.388 1.00 5.56 H new ATOM 0 HB2 ALA A 36 -10.029 -7.330 -14.386 1.00 5.56 H new ATOM 0 HB3 ALA A 36 -10.970 -8.480 -15.365 1.00 5.56 H new ATOM 89 N GLY A 37 -8.748 -7.649 -18.436 1.00 3.98 N ATOM 90 CA GLY A 37 -8.402 -8.404 -19.641 1.00 4.16 C ATOM 91 C GLY A 37 -6.927 -8.816 -19.625 1.00 3.72 C ATOM 92 O GLY A 37 -6.111 -8.176 -18.957 1.00 4.04 O ATOM 0 H GLY A 37 -7.962 -7.110 -18.073 1.00 3.98 H new ATOM 0 HA2 GLY A 37 -9.031 -9.292 -19.711 1.00 4.16 H new ATOM 0 HA3 GLY A 37 -8.605 -7.799 -20.525 1.00 4.16 H new ATOM 96 N GLY A 38 -6.586 -9.900 -20.323 1.00 3.83 N ATOM 97 CA GLY A 38 -5.227 -10.458 -20.381 1.00 3.69 C ATOM 98 C GLY A 38 -4.660 -10.886 -19.020 1.00 2.68 C ATOM 99 O GLY A 38 -5.412 -11.207 -18.094 1.00 2.84 O ATOM 0 H GLY A 38 -7.259 -10.429 -20.877 1.00 3.83 H new ATOM 0 HA2 GLY A 38 -5.229 -11.320 -21.048 1.00 3.69 H new ATOM 0 HA3 GLY A 38 -4.561 -9.716 -20.822 1.00 3.69 H new ATOM 103 N GLY A 39 -3.330 -10.917 -18.902 1.00 2.75 N ATOM 104 CA GLY A 39 -2.605 -11.454 -17.745 1.00 2.35 C ATOM 105 C GLY A 39 -1.380 -10.645 -17.302 1.00 2.13 C ATOM 106 O GLY A 39 -0.500 -11.216 -16.649 1.00 2.87 O ATOM 0 H GLY A 39 -2.710 -10.560 -19.628 1.00 2.75 H new ATOM 0 HA2 GLY A 39 -3.296 -11.524 -16.905 1.00 2.35 H new ATOM 0 HA3 GLY A 39 -2.284 -12.469 -17.978 1.00 2.35 H new ATOM 110 N GLY A 40 -1.275 -9.356 -17.652 1.00 2.19 N ATOM 111 CA GLY A 40 -0.159 -8.523 -17.175 1.00 1.95 C ATOM 112 C GLY A 40 -0.138 -7.044 -17.568 1.00 2.00 C ATOM 113 O GLY A 40 0.887 -6.389 -17.365 1.00 3.48 O ATOM 0 H GLY A 40 -1.939 -8.871 -18.256 1.00 2.19 H new ATOM 0 HA2 GLY A 40 -0.145 -8.578 -16.086 1.00 1.95 H new ATOM 0 HA3 GLY A 40 0.768 -8.974 -17.529 1.00 1.95 H new ATOM 117 N SER A 41 -1.226 -6.511 -18.117 1.00 1.51 N ATOM 118 CA SER A 41 -1.377 -5.093 -18.484 1.00 1.45 C ATOM 119 C SER A 41 -1.986 -4.269 -17.346 1.00 1.19 C ATOM 120 O SER A 41 -2.491 -4.803 -16.355 1.00 1.02 O ATOM 121 CB SER A 41 -2.218 -4.966 -19.757 1.00 1.85 C ATOM 122 OG SER A 41 -2.029 -3.718 -20.402 1.00 2.88 O ATOM 0 H SER A 41 -2.056 -7.065 -18.328 1.00 1.51 H new ATOM 0 HA SER A 41 -0.382 -4.690 -18.674 1.00 1.45 H new ATOM 0 HB2 SER A 41 -1.958 -5.771 -20.444 1.00 1.85 H new ATOM 0 HB3 SER A 41 -3.272 -5.088 -19.508 1.00 1.85 H new ATOM 0 HG SER A 41 -2.583 -3.680 -21.210 1.00 2.88 H new ATOM 128 N ALA A 42 -1.981 -2.950 -17.496 1.00 1.20 N ATOM 129 CA ALA A 42 -2.450 -1.999 -16.491 1.00 1.07 C ATOM 130 C ALA A 42 -3.932 -2.184 -16.092 1.00 1.06 C ATOM 131 O ALA A 42 -4.283 -1.910 -14.945 1.00 1.03 O ATOM 132 CB ALA A 42 -2.175 -0.604 -17.041 1.00 1.21 C ATOM 0 H ALA A 42 -1.641 -2.498 -18.345 1.00 1.20 H new ATOM 0 HA ALA A 42 -1.911 -2.169 -15.559 1.00 1.07 H new ATOM 0 HB1 ALA A 42 -2.510 0.143 -16.322 1.00 1.21 H new ATOM 0 HB2 ALA A 42 -1.106 -0.486 -17.215 1.00 1.21 H new ATOM 0 HB3 ALA A 42 -2.713 -0.471 -17.980 1.00 1.21 H new ATOM 138 N GLU A 43 -4.785 -2.700 -16.984 1.00 1.14 N ATOM 139 CA GLU A 43 -6.175 -3.108 -16.704 1.00 1.11 C ATOM 140 C GLU A 43 -6.300 -4.368 -15.825 1.00 0.93 C ATOM 141 O GLU A 43 -7.295 -4.525 -15.115 1.00 0.87 O ATOM 142 CB GLU A 43 -6.924 -3.319 -18.033 1.00 1.27 C ATOM 143 CG GLU A 43 -6.419 -4.529 -18.841 1.00 1.30 C ATOM 144 CD GLU A 43 -6.755 -4.396 -20.327 1.00 1.83 C ATOM 145 OE1 GLU A 43 -6.093 -3.584 -21.021 1.00 2.50 O ATOM 146 OE2 GLU A 43 -7.662 -5.098 -20.826 1.00 2.69 O ATOM 0 H GLU A 43 -4.521 -2.852 -17.957 1.00 1.14 H new ATOM 0 HA GLU A 43 -6.622 -2.298 -16.128 1.00 1.11 H new ATOM 0 HB2 GLU A 43 -7.986 -3.450 -17.825 1.00 1.27 H new ATOM 0 HB3 GLU A 43 -6.827 -2.420 -18.642 1.00 1.27 H new ATOM 0 HG2 GLU A 43 -5.340 -4.624 -18.719 1.00 1.30 H new ATOM 0 HG3 GLU A 43 -6.866 -5.442 -18.447 1.00 1.30 H new ATOM 153 N GLN A 44 -5.296 -5.251 -15.841 1.00 0.89 N ATOM 154 CA GLN A 44 -5.238 -6.455 -15.008 1.00 0.79 C ATOM 155 C GLN A 44 -4.739 -6.105 -13.605 1.00 0.52 C ATOM 156 O GLN A 44 -5.413 -6.372 -12.611 1.00 0.50 O ATOM 157 CB GLN A 44 -4.349 -7.508 -15.696 1.00 1.06 C ATOM 158 CG GLN A 44 -4.385 -8.852 -14.953 1.00 1.44 C ATOM 159 CD GLN A 44 -3.270 -9.054 -13.930 1.00 1.78 C ATOM 160 OE1 GLN A 44 -2.092 -9.056 -14.250 1.00 3.45 O ATOM 161 NE2 GLN A 44 -3.588 -9.234 -12.668 1.00 1.97 N ATOM 0 H GLN A 44 -4.483 -5.145 -16.448 1.00 0.89 H new ATOM 0 HA GLN A 44 -6.236 -6.879 -14.895 1.00 0.79 H new ATOM 0 HB2 GLN A 44 -4.683 -7.651 -16.724 1.00 1.06 H new ATOM 0 HB3 GLN A 44 -3.322 -7.144 -15.742 1.00 1.06 H new ATOM 0 HG2 GLN A 44 -5.345 -8.943 -14.445 1.00 1.44 H new ATOM 0 HG3 GLN A 44 -4.335 -9.657 -15.686 1.00 1.44 H new ATOM 0 HE21 GLN A 44 -4.568 -9.235 -12.384 1.00 1.97 H new ATOM 0 HE22 GLN A 44 -2.855 -9.373 -11.972 1.00 1.97 H new ATOM 170 N LEU A 45 -3.599 -5.417 -13.548 1.00 0.44 N ATOM 171 CA LEU A 45 -3.063 -4.753 -12.360 1.00 0.36 C ATOM 172 C LEU A 45 -4.097 -3.842 -11.669 1.00 0.28 C ATOM 173 O LEU A 45 -4.168 -3.851 -10.446 1.00 0.28 O ATOM 174 CB LEU A 45 -1.834 -3.947 -12.786 1.00 0.44 C ATOM 175 CG LEU A 45 -0.512 -4.720 -12.961 1.00 0.58 C ATOM 176 CD1 LEU A 45 0.150 -4.959 -11.601 1.00 0.58 C ATOM 177 CD2 LEU A 45 -0.595 -6.061 -13.690 1.00 0.76 C ATOM 0 H LEU A 45 -2.998 -5.302 -14.364 1.00 0.44 H new ATOM 0 HA LEU A 45 -2.795 -5.512 -11.625 1.00 0.36 H new ATOM 0 HB2 LEU A 45 -2.064 -3.453 -13.730 1.00 0.44 H new ATOM 0 HB3 LEU A 45 -1.672 -3.162 -12.047 1.00 0.44 H new ATOM 0 HG LEU A 45 0.077 -4.067 -13.605 1.00 0.58 H new ATOM 0 HD11 LEU A 45 1.082 -5.506 -11.741 1.00 0.58 H new ATOM 0 HD12 LEU A 45 0.359 -4.001 -11.125 1.00 0.58 H new ATOM 0 HD13 LEU A 45 -0.520 -5.540 -10.967 1.00 0.58 H new ATOM 0 HD21 LEU A 45 0.399 -6.505 -13.749 1.00 0.76 H new ATOM 0 HD22 LEU A 45 -1.260 -6.731 -13.145 1.00 0.76 H new ATOM 0 HD23 LEU A 45 -0.983 -5.904 -14.697 1.00 0.76 H new ATOM 189 N ASP A 46 -4.953 -3.133 -12.419 1.00 0.35 N ATOM 190 CA ASP A 46 -6.077 -2.353 -11.865 1.00 0.41 C ATOM 191 C ASP A 46 -7.053 -3.243 -11.074 1.00 0.38 C ATOM 192 O ASP A 46 -7.484 -2.925 -9.970 1.00 0.42 O ATOM 193 CB ASP A 46 -6.853 -1.681 -13.005 1.00 0.65 C ATOM 194 CG ASP A 46 -8.069 -0.877 -12.532 1.00 1.02 C ATOM 195 OD1 ASP A 46 -7.901 0.302 -12.148 1.00 2.01 O ATOM 196 OD2 ASP A 46 -9.204 -1.401 -12.638 1.00 2.21 O ATOM 0 H ASP A 46 -4.887 -3.082 -13.436 1.00 0.35 H new ATOM 0 HA ASP A 46 -5.655 -1.608 -11.191 1.00 0.41 H new ATOM 0 HB2 ASP A 46 -6.180 -1.019 -13.550 1.00 0.65 H new ATOM 0 HB3 ASP A 46 -7.185 -2.446 -13.707 1.00 0.65 H new ATOM 201 N ALA A 47 -7.361 -4.413 -11.622 1.00 0.38 N ATOM 202 CA ALA A 47 -8.278 -5.368 -11.004 1.00 0.40 C ATOM 203 C ALA A 47 -7.608 -6.076 -9.816 1.00 0.40 C ATOM 204 O ALA A 47 -8.289 -6.466 -8.866 1.00 0.56 O ATOM 205 CB ALA A 47 -8.739 -6.346 -12.087 1.00 0.49 C ATOM 0 H ALA A 47 -6.980 -4.729 -12.514 1.00 0.38 H new ATOM 0 HA ALA A 47 -9.150 -4.858 -10.595 1.00 0.40 H new ATOM 0 HB1 ALA A 47 -9.426 -7.072 -11.653 1.00 0.49 H new ATOM 0 HB2 ALA A 47 -9.245 -5.797 -12.881 1.00 0.49 H new ATOM 0 HB3 ALA A 47 -7.874 -6.866 -12.499 1.00 0.49 H new ATOM 211 N LEU A 48 -6.273 -6.177 -9.848 1.00 0.36 N ATOM 212 CA LEU A 48 -5.424 -6.600 -8.737 1.00 0.42 C ATOM 213 C LEU A 48 -5.504 -5.592 -7.569 1.00 0.43 C ATOM 214 O LEU A 48 -5.786 -5.992 -6.444 1.00 0.52 O ATOM 215 CB LEU A 48 -3.985 -6.774 -9.251 1.00 0.39 C ATOM 216 CG LEU A 48 -3.392 -8.187 -9.196 1.00 0.58 C ATOM 217 CD1 LEU A 48 -2.047 -8.205 -9.928 1.00 0.70 C ATOM 218 CD2 LEU A 48 -3.131 -8.627 -7.769 1.00 0.92 C ATOM 0 H LEU A 48 -5.736 -5.956 -10.687 1.00 0.36 H new ATOM 0 HA LEU A 48 -5.773 -7.556 -8.346 1.00 0.42 H new ATOM 0 HB2 LEU A 48 -3.951 -6.433 -10.286 1.00 0.39 H new ATOM 0 HB3 LEU A 48 -3.337 -6.112 -8.676 1.00 0.39 H new ATOM 0 HG LEU A 48 -4.113 -8.860 -9.660 1.00 0.58 H new ATOM 0 HD11 LEU A 48 -1.625 -9.209 -9.889 1.00 0.70 H new ATOM 0 HD12 LEU A 48 -2.195 -7.913 -10.968 1.00 0.70 H new ATOM 0 HD13 LEU A 48 -1.363 -7.505 -9.449 1.00 0.70 H new ATOM 0 HD21 LEU A 48 -2.711 -9.633 -7.769 1.00 0.92 H new ATOM 0 HD22 LEU A 48 -2.427 -7.940 -7.299 1.00 0.92 H new ATOM 0 HD23 LEU A 48 -4.067 -8.625 -7.211 1.00 0.92 H new ATOM 230 N VAL A 49 -5.349 -4.280 -7.807 1.00 0.38 N ATOM 231 CA VAL A 49 -5.531 -3.255 -6.750 1.00 0.46 C ATOM 232 C VAL A 49 -6.987 -3.062 -6.318 1.00 0.49 C ATOM 233 O VAL A 49 -7.238 -2.542 -5.236 1.00 0.59 O ATOM 234 CB VAL A 49 -4.918 -1.889 -7.105 1.00 0.49 C ATOM 235 CG1 VAL A 49 -3.408 -1.944 -7.232 1.00 0.53 C ATOM 236 CG2 VAL A 49 -5.433 -1.310 -8.412 1.00 0.48 C ATOM 0 H VAL A 49 -5.098 -3.898 -8.719 1.00 0.38 H new ATOM 0 HA VAL A 49 -4.981 -3.668 -5.904 1.00 0.46 H new ATOM 0 HB VAL A 49 -5.220 -1.255 -6.272 1.00 0.49 H new ATOM 0 HG11 VAL A 49 -3.028 -0.954 -7.483 1.00 0.53 H new ATOM 0 HG12 VAL A 49 -2.975 -2.270 -6.286 1.00 0.53 H new ATOM 0 HG13 VAL A 49 -3.134 -2.648 -8.018 1.00 0.53 H new ATOM 0 HG21 VAL A 49 -4.957 -0.347 -8.596 1.00 0.48 H new ATOM 0 HG22 VAL A 49 -5.200 -1.992 -9.229 1.00 0.48 H new ATOM 0 HG23 VAL A 49 -6.513 -1.175 -8.350 1.00 0.48 H new ATOM 246 N LYS A 50 -7.967 -3.503 -7.111 1.00 0.46 N ATOM 247 CA LYS A 50 -9.388 -3.529 -6.770 1.00 0.51 C ATOM 248 C LYS A 50 -9.863 -4.797 -6.061 1.00 0.54 C ATOM 249 O LYS A 50 -11.044 -4.901 -5.730 1.00 0.66 O ATOM 250 CB LYS A 50 -10.124 -3.236 -8.078 1.00 0.53 C ATOM 251 CG LYS A 50 -9.990 -1.759 -8.472 1.00 1.17 C ATOM 252 CD LYS A 50 -10.560 -0.730 -7.488 1.00 0.76 C ATOM 253 CE LYS A 50 -12.066 -0.878 -7.241 1.00 1.52 C ATOM 254 NZ LYS A 50 -12.546 0.108 -6.244 1.00 2.66 N ATOM 0 H LYS A 50 -7.782 -3.866 -8.046 1.00 0.46 H new ATOM 0 HA LYS A 50 -9.607 -2.777 -6.012 1.00 0.51 H new ATOM 0 HB2 LYS A 50 -9.723 -3.865 -8.873 1.00 0.53 H new ATOM 0 HB3 LYS A 50 -11.178 -3.492 -7.970 1.00 0.53 H new ATOM 0 HG2 LYS A 50 -8.932 -1.540 -8.618 1.00 1.17 H new ATOM 0 HG3 LYS A 50 -10.481 -1.618 -9.435 1.00 1.17 H new ATOM 0 HD2 LYS A 50 -10.035 -0.821 -6.537 1.00 0.76 H new ATOM 0 HD3 LYS A 50 -10.360 0.272 -7.868 1.00 0.76 H new ATOM 0 HE2 LYS A 50 -12.606 -0.743 -8.178 1.00 1.52 H new ATOM 0 HE3 LYS A 50 -12.282 -1.887 -6.891 1.00 1.52 H new ATOM 0 HZ1 LYS A 50 -12.879 -0.391 -5.394 1.00 2.66 H new ATOM 0 HZ2 LYS A 50 -11.768 0.748 -5.987 1.00 2.66 H new ATOM 0 HZ3 LYS A 50 -13.329 0.660 -6.650 1.00 2.66 H new ATOM 268 N LYS A 51 -8.960 -5.732 -5.754 1.00 0.52 N ATOM 269 CA LYS A 51 -9.257 -6.906 -4.922 1.00 0.59 C ATOM 270 C LYS A 51 -9.491 -6.567 -3.451 1.00 0.82 C ATOM 271 O LYS A 51 -10.116 -7.364 -2.751 1.00 1.15 O ATOM 272 CB LYS A 51 -8.149 -7.944 -5.107 1.00 0.70 C ATOM 273 CG LYS A 51 -8.453 -8.812 -6.336 1.00 0.80 C ATOM 274 CD LYS A 51 -7.229 -9.590 -6.818 1.00 1.60 C ATOM 275 CE LYS A 51 -7.416 -10.137 -8.242 1.00 1.04 C ATOM 276 NZ LYS A 51 -8.431 -11.213 -8.311 1.00 1.23 N ATOM 0 H LYS A 51 -7.993 -5.697 -6.078 1.00 0.52 H new ATOM 0 HA LYS A 51 -10.205 -7.325 -5.260 1.00 0.59 H new ATOM 0 HB2 LYS A 51 -7.188 -7.446 -5.231 1.00 0.70 H new ATOM 0 HB3 LYS A 51 -8.072 -8.570 -4.218 1.00 0.70 H new ATOM 0 HG2 LYS A 51 -9.253 -9.512 -6.094 1.00 0.80 H new ATOM 0 HG3 LYS A 51 -8.818 -8.178 -7.144 1.00 0.80 H new ATOM 0 HD2 LYS A 51 -6.354 -8.941 -6.791 1.00 1.60 H new ATOM 0 HD3 LYS A 51 -7.033 -10.417 -6.135 1.00 1.60 H new ATOM 0 HE2 LYS A 51 -7.710 -9.323 -8.904 1.00 1.04 H new ATOM 0 HE3 LYS A 51 -6.463 -10.518 -8.609 1.00 1.04 H new ATOM 0 HZ1 LYS A 51 -8.518 -11.546 -9.292 1.00 1.23 H new ATOM 0 HZ2 LYS A 51 -8.140 -12.004 -7.701 1.00 1.23 H new ATOM 0 HZ3 LYS A 51 -9.349 -10.846 -7.988 1.00 1.23 H new ATOM 290 N ASP A 52 -9.066 -5.389 -2.996 1.00 0.63 N ATOM 291 CA ASP A 52 -9.485 -4.811 -1.717 1.00 0.57 C ATOM 292 C ASP A 52 -9.553 -3.276 -1.768 1.00 0.53 C ATOM 293 O ASP A 52 -9.330 -2.660 -2.813 1.00 0.49 O ATOM 294 CB ASP A 52 -8.533 -5.299 -0.614 1.00 0.55 C ATOM 295 CG ASP A 52 -9.315 -5.590 0.658 1.00 0.58 C ATOM 296 OD1 ASP A 52 -9.645 -4.617 1.366 1.00 1.61 O ATOM 297 OD2 ASP A 52 -9.682 -6.761 0.901 1.00 1.92 O ATOM 0 H ASP A 52 -8.412 -4.800 -3.512 1.00 0.63 H new ATOM 0 HA ASP A 52 -10.498 -5.148 -1.495 1.00 0.57 H new ATOM 0 HB2 ASP A 52 -8.012 -6.198 -0.944 1.00 0.55 H new ATOM 0 HB3 ASP A 52 -7.772 -4.543 -0.418 1.00 0.55 H new ATOM 302 N LYS A 53 -9.839 -2.647 -0.626 1.00 0.57 N ATOM 303 CA LYS A 53 -9.793 -1.187 -0.448 1.00 0.52 C ATOM 304 C LYS A 53 -8.473 -0.643 0.061 1.00 0.42 C ATOM 305 O LYS A 53 -8.246 0.560 -0.024 1.00 0.39 O ATOM 306 CB LYS A 53 -10.941 -0.670 0.398 1.00 0.56 C ATOM 307 CG LYS A 53 -11.591 -1.607 1.400 1.00 0.92 C ATOM 308 CD LYS A 53 -10.744 -1.808 2.658 1.00 0.73 C ATOM 309 CE LYS A 53 -11.383 -2.679 3.744 1.00 1.35 C ATOM 310 NZ LYS A 53 -11.446 -4.101 3.348 1.00 1.09 N ATOM 0 H LYS A 53 -10.115 -3.145 0.220 1.00 0.57 H new ATOM 0 HA LYS A 53 -9.902 -0.803 -1.462 1.00 0.52 H new ATOM 0 HB2 LYS A 53 -10.581 0.201 0.946 1.00 0.56 H new ATOM 0 HB3 LYS A 53 -11.719 -0.321 -0.280 1.00 0.56 H new ATOM 0 HG2 LYS A 53 -12.566 -1.210 1.683 1.00 0.92 H new ATOM 0 HG3 LYS A 53 -11.766 -2.573 0.927 1.00 0.92 H new ATOM 0 HD2 LYS A 53 -9.793 -2.256 2.368 1.00 0.73 H new ATOM 0 HD3 LYS A 53 -10.519 -0.831 3.085 1.00 0.73 H new ATOM 0 HE2 LYS A 53 -10.811 -2.585 4.667 1.00 1.35 H new ATOM 0 HE3 LYS A 53 -12.389 -2.316 3.954 1.00 1.35 H new ATOM 0 HZ1 LYS A 53 -11.575 -4.692 4.194 1.00 1.09 H new ATOM 0 HZ2 LYS A 53 -12.246 -4.246 2.700 1.00 1.09 H new ATOM 0 HZ3 LYS A 53 -10.561 -4.368 2.871 1.00 1.09 H new ATOM 324 N VAL A 54 -7.622 -1.512 0.592 1.00 0.42 N ATOM 325 CA VAL A 54 -6.290 -1.163 1.106 1.00 0.37 C ATOM 326 C VAL A 54 -5.388 -2.261 0.609 1.00 0.45 C ATOM 327 O VAL A 54 -5.165 -3.266 1.278 1.00 0.79 O ATOM 328 CB VAL A 54 -6.205 -1.008 2.645 1.00 0.33 C ATOM 329 CG1 VAL A 54 -5.199 0.059 3.049 1.00 0.37 C ATOM 330 CG2 VAL A 54 -7.544 -0.666 3.278 1.00 0.34 C ATOM 0 H VAL A 54 -7.838 -2.505 0.682 1.00 0.42 H new ATOM 0 HA VAL A 54 -6.002 -0.174 0.748 1.00 0.37 H new ATOM 0 HB VAL A 54 -5.882 -1.982 3.012 1.00 0.33 H new ATOM 0 HG11 VAL A 54 -5.169 0.138 4.136 1.00 0.37 H new ATOM 0 HG12 VAL A 54 -4.211 -0.213 2.677 1.00 0.37 H new ATOM 0 HG13 VAL A 54 -5.495 1.018 2.624 1.00 0.37 H new ATOM 0 HG21 VAL A 54 -7.422 -0.570 4.357 1.00 0.34 H new ATOM 0 HG22 VAL A 54 -7.910 0.276 2.869 1.00 0.34 H new ATOM 0 HG23 VAL A 54 -8.261 -1.458 3.063 1.00 0.34 H new ATOM 340 N VAL A 55 -4.978 -2.138 -0.642 1.00 0.30 N ATOM 341 CA VAL A 55 -4.135 -3.180 -1.227 1.00 0.29 C ATOM 342 C VAL A 55 -2.685 -2.737 -1.110 1.00 0.26 C ATOM 343 O VAL A 55 -2.282 -1.711 -1.661 1.00 0.28 O ATOM 344 CB VAL A 55 -4.588 -3.612 -2.632 1.00 0.37 C ATOM 345 CG1 VAL A 55 -4.068 -5.019 -2.898 1.00 1.00 C ATOM 346 CG2 VAL A 55 -6.096 -3.836 -2.720 1.00 1.16 C ATOM 0 H VAL A 55 -5.202 -1.357 -1.259 1.00 0.30 H new ATOM 0 HA VAL A 55 -4.241 -4.109 -0.666 1.00 0.29 H new ATOM 0 HB VAL A 55 -4.240 -2.830 -3.307 1.00 0.37 H new ATOM 0 HG11 VAL A 55 -4.381 -5.341 -3.891 1.00 1.00 H new ATOM 0 HG12 VAL A 55 -2.979 -5.021 -2.842 1.00 1.00 H new ATOM 0 HG13 VAL A 55 -4.471 -5.703 -2.151 1.00 1.00 H new ATOM 0 HG21 VAL A 55 -6.360 -4.139 -3.733 1.00 1.16 H new ATOM 0 HG22 VAL A 55 -6.389 -4.618 -2.019 1.00 1.16 H new ATOM 0 HG23 VAL A 55 -6.616 -2.911 -2.471 1.00 1.16 H new ATOM 356 N VAL A 56 -1.923 -3.499 -0.327 1.00 0.24 N ATOM 357 CA VAL A 56 -0.536 -3.222 0.065 1.00 0.23 C ATOM 358 C VAL A 56 0.392 -4.156 -0.675 1.00 0.24 C ATOM 359 O VAL A 56 0.004 -5.262 -1.008 1.00 0.26 O ATOM 360 CB VAL A 56 -0.376 -3.339 1.588 1.00 0.23 C ATOM 361 CG1 VAL A 56 1.004 -3.005 2.113 1.00 0.28 C ATOM 362 CG2 VAL A 56 -1.247 -2.276 2.239 1.00 0.24 C ATOM 0 H VAL A 56 -2.271 -4.371 0.073 1.00 0.24 H new ATOM 0 HA VAL A 56 -0.274 -2.199 -0.207 1.00 0.23 H new ATOM 0 HB VAL A 56 -0.621 -4.377 1.814 1.00 0.23 H new ATOM 0 HG11 VAL A 56 1.018 -3.117 3.197 1.00 0.28 H new ATOM 0 HG12 VAL A 56 1.735 -3.681 1.669 1.00 0.28 H new ATOM 0 HG13 VAL A 56 1.254 -1.977 1.851 1.00 0.28 H new ATOM 0 HG21 VAL A 56 -1.150 -2.340 3.323 1.00 0.24 H new ATOM 0 HG22 VAL A 56 -0.929 -1.289 1.903 1.00 0.24 H new ATOM 0 HG23 VAL A 56 -2.288 -2.436 1.958 1.00 0.24 H new ATOM 372 N PHE A 57 1.599 -3.699 -0.970 1.00 0.24 N ATOM 373 CA PHE A 57 2.440 -4.301 -2.000 1.00 0.27 C ATOM 374 C PHE A 57 3.901 -4.204 -1.605 1.00 0.26 C ATOM 375 O PHE A 57 4.464 -3.109 -1.604 1.00 0.28 O ATOM 376 CB PHE A 57 2.241 -3.463 -3.250 1.00 0.32 C ATOM 377 CG PHE A 57 1.069 -3.890 -4.096 1.00 0.40 C ATOM 378 CD1 PHE A 57 -0.192 -3.349 -3.831 1.00 1.54 C ATOM 379 CD2 PHE A 57 1.235 -4.810 -5.146 1.00 1.90 C ATOM 380 CE1 PHE A 57 -1.289 -3.701 -4.633 1.00 1.51 C ATOM 381 CE2 PHE A 57 0.140 -5.152 -5.962 1.00 1.96 C ATOM 382 CZ PHE A 57 -1.125 -4.584 -5.716 1.00 0.54 C ATOM 0 H PHE A 57 2.026 -2.899 -0.503 1.00 0.24 H new ATOM 0 HA PHE A 57 2.179 -5.349 -2.145 1.00 0.27 H new ATOM 0 HB2 PHE A 57 2.105 -2.422 -2.959 1.00 0.32 H new ATOM 0 HB3 PHE A 57 3.147 -3.509 -3.854 1.00 0.32 H new ATOM 0 HD1 PHE A 57 -0.322 -2.660 -3.009 1.00 1.54 H new ATOM 0 HD2 PHE A 57 2.203 -5.254 -5.327 1.00 1.90 H new ATOM 0 HE1 PHE A 57 -2.265 -3.292 -4.417 1.00 1.51 H new ATOM 0 HE2 PHE A 57 0.270 -5.850 -6.776 1.00 1.96 H new ATOM 0 HZ PHE A 57 -1.963 -4.824 -6.354 1.00 0.54 H new ATOM 392 N LEU A 58 4.513 -5.323 -1.242 1.00 0.26 N ATOM 393 CA LEU A 58 5.855 -5.331 -0.687 1.00 0.26 C ATOM 394 C LEU A 58 6.575 -6.650 -1.034 1.00 0.28 C ATOM 395 O LEU A 58 5.912 -7.650 -1.312 1.00 0.29 O ATOM 396 CB LEU A 58 5.772 -4.979 0.821 1.00 0.27 C ATOM 397 CG LEU A 58 4.409 -5.076 1.564 1.00 0.27 C ATOM 398 CD1 LEU A 58 3.954 -6.492 1.898 1.00 0.30 C ATOM 399 CD2 LEU A 58 4.535 -4.268 2.842 1.00 0.43 C ATOM 0 H LEU A 58 4.092 -6.248 -1.325 1.00 0.26 H new ATOM 0 HA LEU A 58 6.485 -4.563 -1.137 1.00 0.26 H new ATOM 0 HB2 LEU A 58 6.475 -5.627 1.345 1.00 0.27 H new ATOM 0 HB3 LEU A 58 6.133 -3.957 0.937 1.00 0.27 H new ATOM 0 HG LEU A 58 3.645 -4.690 0.889 1.00 0.27 H new ATOM 0 HD11 LEU A 58 2.995 -6.454 2.414 1.00 0.30 H new ATOM 0 HD12 LEU A 58 3.848 -7.067 0.978 1.00 0.30 H new ATOM 0 HD13 LEU A 58 4.693 -6.970 2.541 1.00 0.30 H new ATOM 0 HD21 LEU A 58 3.596 -4.311 3.394 1.00 0.43 H new ATOM 0 HD22 LEU A 58 5.336 -4.680 3.456 1.00 0.43 H new ATOM 0 HD23 LEU A 58 4.764 -3.231 2.596 1.00 0.43 H new ATOM 411 N LYS A 59 7.918 -6.696 -1.082 1.00 0.32 N ATOM 412 CA LYS A 59 8.650 -7.963 -1.324 1.00 0.39 C ATOM 413 C LYS A 59 8.703 -8.824 -0.044 1.00 0.46 C ATOM 414 O LYS A 59 9.772 -9.136 0.482 1.00 0.58 O ATOM 415 CB LYS A 59 10.042 -7.682 -1.921 1.00 0.51 C ATOM 416 CG LYS A 59 10.863 -6.623 -1.166 1.00 0.60 C ATOM 417 CD LYS A 59 12.352 -6.960 -1.037 1.00 1.01 C ATOM 418 CE LYS A 59 12.968 -7.251 -2.405 1.00 1.36 C ATOM 419 NZ LYS A 59 14.434 -7.442 -2.302 1.00 1.89 N ATOM 0 H LYS A 59 8.519 -5.881 -0.958 1.00 0.32 H new ATOM 0 HA LYS A 59 8.106 -8.549 -2.065 1.00 0.39 H new ATOM 0 HB2 LYS A 59 10.608 -8.613 -1.943 1.00 0.51 H new ATOM 0 HB3 LYS A 59 9.920 -7.359 -2.955 1.00 0.51 H new ATOM 0 HG2 LYS A 59 10.761 -5.667 -1.679 1.00 0.60 H new ATOM 0 HG3 LYS A 59 10.443 -6.496 -0.168 1.00 0.60 H new ATOM 0 HD2 LYS A 59 12.877 -6.129 -0.567 1.00 1.01 H new ATOM 0 HD3 LYS A 59 12.478 -7.825 -0.386 1.00 1.01 H new ATOM 0 HE2 LYS A 59 12.511 -8.145 -2.830 1.00 1.36 H new ATOM 0 HE3 LYS A 59 12.753 -6.428 -3.086 1.00 1.36 H new ATOM 0 HZ1 LYS A 59 14.826 -7.638 -3.245 1.00 1.89 H new ATOM 0 HZ2 LYS A 59 14.870 -6.579 -1.918 1.00 1.89 H new ATOM 0 HZ3 LYS A 59 14.636 -8.243 -1.670 1.00 1.89 H new ATOM 433 N GLY A 60 7.534 -9.248 0.434 1.00 0.47 N ATOM 434 CA GLY A 60 7.365 -9.721 1.812 1.00 0.56 C ATOM 435 C GLY A 60 5.933 -9.811 2.329 1.00 0.57 C ATOM 436 O GLY A 60 4.969 -9.737 1.571 1.00 0.78 O ATOM 0 H GLY A 60 6.678 -9.274 -0.120 1.00 0.47 H new ATOM 0 HA2 GLY A 60 7.819 -10.709 1.892 1.00 0.56 H new ATOM 0 HA3 GLY A 60 7.925 -9.058 2.472 1.00 0.56 H new ATOM 440 N THR A 61 5.810 -9.934 3.652 1.00 0.52 N ATOM 441 CA THR A 61 4.545 -10.067 4.398 1.00 0.50 C ATOM 442 C THR A 61 4.449 -9.026 5.528 1.00 0.48 C ATOM 443 O THR A 61 5.461 -8.437 5.925 1.00 0.49 O ATOM 444 CB THR A 61 4.423 -11.501 4.961 1.00 0.55 C ATOM 445 OG1 THR A 61 5.526 -11.811 5.784 1.00 0.65 O ATOM 446 CG2 THR A 61 4.352 -12.544 3.851 1.00 0.62 C ATOM 0 H THR A 61 6.624 -9.945 4.266 1.00 0.52 H new ATOM 0 HA THR A 61 3.717 -9.880 3.714 1.00 0.50 H new ATOM 0 HB THR A 61 3.499 -11.528 5.538 1.00 0.55 H new ATOM 0 HG1 THR A 61 5.429 -12.722 6.132 1.00 0.65 H new ATOM 0 HG21 THR A 61 4.267 -13.538 4.290 1.00 0.62 H new ATOM 0 HG22 THR A 61 3.482 -12.349 3.224 1.00 0.62 H new ATOM 0 HG23 THR A 61 5.256 -12.492 3.244 1.00 0.62 H new ATOM 454 N PRO A 62 3.247 -8.758 6.077 1.00 0.47 N ATOM 455 CA PRO A 62 3.067 -7.792 7.165 1.00 0.50 C ATOM 456 C PRO A 62 3.516 -8.337 8.530 1.00 0.70 C ATOM 457 O PRO A 62 3.763 -7.569 9.462 1.00 0.87 O ATOM 458 CB PRO A 62 1.567 -7.484 7.167 1.00 0.47 C ATOM 459 CG PRO A 62 0.946 -8.793 6.684 1.00 0.55 C ATOM 460 CD PRO A 62 1.959 -9.301 5.668 1.00 0.51 C ATOM 0 HA PRO A 62 3.682 -6.907 7.004 1.00 0.50 H new ATOM 0 HB2 PRO A 62 1.212 -7.212 8.161 1.00 0.47 H new ATOM 0 HB3 PRO A 62 1.325 -6.654 6.504 1.00 0.47 H new ATOM 0 HG2 PRO A 62 0.807 -9.499 7.502 1.00 0.55 H new ATOM 0 HG3 PRO A 62 -0.033 -8.632 6.232 1.00 0.55 H new ATOM 0 HD2 PRO A 62 1.983 -10.391 5.652 1.00 0.51 H new ATOM 0 HD3 PRO A 62 1.700 -8.973 4.661 1.00 0.51 H new ATOM 468 N GLU A 63 3.604 -9.662 8.665 1.00 0.81 N ATOM 469 CA GLU A 63 3.928 -10.361 9.914 1.00 1.08 C ATOM 470 C GLU A 63 5.414 -10.723 10.080 1.00 1.20 C ATOM 471 O GLU A 63 5.850 -10.921 11.217 1.00 1.40 O ATOM 472 CB GLU A 63 2.999 -11.568 10.093 1.00 1.26 C ATOM 473 CG GLU A 63 3.099 -12.632 8.993 1.00 1.64 C ATOM 474 CD GLU A 63 1.999 -13.673 9.202 1.00 2.72 C ATOM 475 OE1 GLU A 63 0.838 -13.406 8.805 1.00 3.84 O ATOM 476 OE2 GLU A 63 2.260 -14.730 9.828 1.00 3.60 O ATOM 0 H GLU A 63 3.447 -10.300 7.884 1.00 0.81 H new ATOM 0 HA GLU A 63 3.748 -9.655 10.724 1.00 1.08 H new ATOM 0 HB2 GLU A 63 3.218 -12.037 11.052 1.00 1.26 H new ATOM 0 HB3 GLU A 63 1.970 -11.212 10.140 1.00 1.26 H new ATOM 0 HG2 GLU A 63 2.997 -12.169 8.012 1.00 1.64 H new ATOM 0 HG3 GLU A 63 4.078 -13.109 9.020 1.00 1.64 H new ATOM 483 N GLN A 64 6.204 -10.757 9.001 1.00 1.14 N ATOM 484 CA GLN A 64 7.653 -10.940 9.028 1.00 1.21 C ATOM 485 C GLN A 64 8.352 -9.850 8.188 1.00 1.26 C ATOM 486 O GLN A 64 8.027 -9.692 7.008 1.00 1.30 O ATOM 487 CB GLN A 64 8.006 -12.327 8.499 1.00 1.29 C ATOM 488 CG GLN A 64 7.589 -13.465 9.447 1.00 1.41 C ATOM 489 CD GLN A 64 8.066 -14.843 8.986 1.00 1.71 C ATOM 490 OE1 GLN A 64 9.154 -15.027 8.450 1.00 2.06 O ATOM 491 NE2 GLN A 64 7.283 -15.873 9.200 1.00 2.45 N ATOM 0 H GLN A 64 5.836 -10.654 8.055 1.00 1.14 H new ATOM 0 HA GLN A 64 8.001 -10.852 10.057 1.00 1.21 H new ATOM 0 HB2 GLN A 64 7.523 -12.473 7.533 1.00 1.29 H new ATOM 0 HB3 GLN A 64 9.081 -12.381 8.329 1.00 1.29 H new ATOM 0 HG2 GLN A 64 7.988 -13.264 10.441 1.00 1.41 H new ATOM 0 HG3 GLN A 64 6.503 -13.475 9.535 1.00 1.41 H new ATOM 0 HE21 GLN A 64 6.375 -15.739 9.645 1.00 2.45 H new ATOM 0 HE22 GLN A 64 7.582 -16.808 8.922 1.00 2.45 H new ATOM 500 N PRO A 65 9.330 -9.106 8.740 1.00 1.44 N ATOM 501 CA PRO A 65 10.014 -8.039 8.014 1.00 1.50 C ATOM 502 C PRO A 65 11.040 -8.611 7.023 1.00 1.36 C ATOM 503 O PRO A 65 12.216 -8.806 7.345 1.00 1.53 O ATOM 504 CB PRO A 65 10.612 -7.147 9.104 1.00 1.77 C ATOM 505 CG PRO A 65 10.930 -8.137 10.228 1.00 1.96 C ATOM 506 CD PRO A 65 9.781 -9.141 10.127 1.00 1.70 C ATOM 0 HA PRO A 65 9.350 -7.454 7.378 1.00 1.50 H new ATOM 0 HB2 PRO A 65 11.507 -6.631 8.756 1.00 1.77 H new ATOM 0 HB3 PRO A 65 9.908 -6.381 9.429 1.00 1.77 H new ATOM 0 HG2 PRO A 65 11.899 -8.615 10.084 1.00 1.96 H new ATOM 0 HG3 PRO A 65 10.957 -7.649 11.202 1.00 1.96 H new ATOM 0 HD2 PRO A 65 10.113 -10.142 10.403 1.00 1.70 H new ATOM 0 HD3 PRO A 65 8.971 -8.875 10.806 1.00 1.70 H new ATOM 514 N GLN A 66 10.553 -8.848 5.801 1.00 1.17 N ATOM 515 CA GLN A 66 11.282 -9.147 4.555 1.00 0.93 C ATOM 516 C GLN A 66 12.714 -8.601 4.516 1.00 1.09 C ATOM 517 O GLN A 66 13.666 -9.364 4.385 1.00 1.30 O ATOM 518 CB GLN A 66 10.506 -8.541 3.376 1.00 0.66 C ATOM 519 CG GLN A 66 9.826 -7.195 3.674 1.00 1.31 C ATOM 520 CD GLN A 66 9.472 -6.377 2.445 1.00 0.88 C ATOM 521 OE1 GLN A 66 8.500 -6.653 1.781 1.00 1.80 O ATOM 522 NE2 GLN A 66 10.138 -5.279 2.157 1.00 0.85 N ATOM 0 H GLN A 66 9.546 -8.835 5.639 1.00 1.17 H new ATOM 0 HA GLN A 66 11.357 -10.233 4.496 1.00 0.93 H new ATOM 0 HB2 GLN A 66 11.191 -8.408 2.539 1.00 0.66 H new ATOM 0 HB3 GLN A 66 9.745 -9.253 3.056 1.00 0.66 H new ATOM 0 HG2 GLN A 66 8.916 -7.382 4.244 1.00 1.31 H new ATOM 0 HG3 GLN A 66 10.485 -6.604 4.310 1.00 1.31 H new ATOM 0 HE21 GLN A 66 10.961 -5.024 2.702 1.00 0.85 H new ATOM 0 HE22 GLN A 66 9.831 -4.683 1.388 1.00 0.85 H new ATOM 531 N CYS A 67 12.832 -7.274 4.619 1.00 1.08 N ATOM 532 CA CYS A 67 14.058 -6.479 4.548 1.00 1.29 C ATOM 533 C CYS A 67 13.761 -5.121 5.224 1.00 1.31 C ATOM 534 O CYS A 67 12.984 -5.084 6.184 1.00 2.01 O ATOM 535 CB CYS A 67 14.455 -6.382 3.060 1.00 1.35 C ATOM 536 SG CYS A 67 16.182 -5.853 2.879 1.00 1.77 S ATOM 0 H CYS A 67 12.012 -6.686 4.765 1.00 1.08 H new ATOM 0 HA CYS A 67 14.907 -6.916 5.074 1.00 1.29 H new ATOM 0 HB2 CYS A 67 14.315 -7.350 2.579 1.00 1.35 H new ATOM 0 HB3 CYS A 67 13.800 -5.676 2.551 1.00 1.35 H new ATOM 0 HG CYS A 67 16.485 -5.784 1.617 1.00 1.77 H new ATOM 542 N GLY A 68 14.275 -4.004 4.701 1.00 1.16 N ATOM 543 CA GLY A 68 13.788 -2.658 5.033 1.00 1.22 C ATOM 544 C GLY A 68 12.323 -2.420 4.632 1.00 1.30 C ATOM 545 O GLY A 68 11.659 -3.302 4.070 1.00 2.19 O ATOM 0 H GLY A 68 15.045 -4.006 4.032 1.00 1.16 H new ATOM 0 HA2 GLY A 68 13.894 -2.496 6.106 1.00 1.22 H new ATOM 0 HA3 GLY A 68 14.417 -1.920 4.536 1.00 1.22 H new ATOM 549 N PHE A 69 11.840 -1.197 4.897 1.00 0.91 N ATOM 550 CA PHE A 69 10.570 -0.600 4.427 1.00 0.82 C ATOM 551 C PHE A 69 9.234 -1.228 4.871 1.00 0.64 C ATOM 552 O PHE A 69 8.248 -0.514 5.058 1.00 0.63 O ATOM 553 CB PHE A 69 10.608 -0.498 2.895 1.00 1.59 C ATOM 554 CG PHE A 69 11.357 0.702 2.374 1.00 0.86 C ATOM 555 CD1 PHE A 69 12.757 0.781 2.420 1.00 1.72 C ATOM 556 CD2 PHE A 69 10.615 1.774 1.868 1.00 1.79 C ATOM 557 CE1 PHE A 69 13.398 1.948 1.972 1.00 1.93 C ATOM 558 CE2 PHE A 69 11.245 2.944 1.424 1.00 1.90 C ATOM 559 CZ PHE A 69 12.647 3.033 1.478 1.00 1.37 C ATOM 0 H PHE A 69 12.360 -0.548 5.488 1.00 0.91 H new ATOM 0 HA PHE A 69 10.549 0.364 4.935 1.00 0.82 H new ATOM 0 HB2 PHE A 69 11.067 -1.401 2.493 1.00 1.59 H new ATOM 0 HB3 PHE A 69 9.586 -0.466 2.519 1.00 1.59 H new ATOM 0 HD1 PHE A 69 13.337 -0.048 2.797 1.00 1.72 H new ATOM 0 HD2 PHE A 69 9.539 1.699 1.819 1.00 1.79 H new ATOM 0 HE1 PHE A 69 14.475 2.014 2.007 1.00 1.93 H new ATOM 0 HE2 PHE A 69 10.660 3.769 1.044 1.00 1.90 H new ATOM 0 HZ PHE A 69 13.147 3.930 1.142 1.00 1.37 H new ATOM 569 N SER A 70 9.165 -2.545 5.010 1.00 0.72 N ATOM 570 CA SER A 70 7.921 -3.324 5.080 1.00 0.70 C ATOM 571 C SER A 70 7.078 -3.041 6.319 1.00 0.57 C ATOM 572 O SER A 70 5.853 -3.081 6.280 1.00 0.58 O ATOM 573 CB SER A 70 8.339 -4.791 5.036 1.00 0.90 C ATOM 574 OG SER A 70 8.761 -5.313 6.284 1.00 2.00 O ATOM 0 H SER A 70 9.999 -3.128 5.080 1.00 0.72 H new ATOM 0 HA SER A 70 7.277 -3.046 4.246 1.00 0.70 H new ATOM 0 HB2 SER A 70 7.501 -5.385 4.671 1.00 0.90 H new ATOM 0 HB3 SER A 70 9.148 -4.905 4.315 1.00 0.90 H new ATOM 0 HG SER A 70 9.687 -5.626 6.211 1.00 2.00 H new ATOM 580 N ASN A 71 7.744 -2.689 7.411 1.00 0.56 N ATOM 581 CA ASN A 71 7.125 -2.306 8.659 1.00 0.53 C ATOM 582 C ASN A 71 6.667 -0.850 8.682 1.00 0.49 C ATOM 583 O ASN A 71 5.650 -0.561 9.287 1.00 0.49 O ATOM 584 CB ASN A 71 8.153 -2.585 9.745 1.00 0.63 C ATOM 585 CG ASN A 71 9.268 -1.566 9.743 1.00 2.46 C ATOM 586 OD1 ASN A 71 9.961 -1.324 8.762 1.00 4.10 O ATOM 587 ND2 ASN A 71 9.344 -0.807 10.795 1.00 2.94 N ATOM 0 H ASN A 71 8.763 -2.664 7.446 1.00 0.56 H new ATOM 0 HA ASN A 71 6.211 -2.880 8.812 1.00 0.53 H new ATOM 0 HB2 ASN A 71 7.662 -2.583 10.718 1.00 0.63 H new ATOM 0 HB3 ASN A 71 8.572 -3.581 9.601 1.00 0.63 H new ATOM 0 HD21 ASN A 71 9.980 -0.010 10.804 1.00 2.94 H new ATOM 0 HD22 ASN A 71 8.767 -1.008 11.612 1.00 2.94 H new ATOM 594 N ALA A 72 7.371 0.056 8.011 1.00 0.49 N ATOM 595 CA ALA A 72 7.030 1.481 7.964 1.00 0.49 C ATOM 596 C ALA A 72 5.624 1.704 7.400 1.00 0.42 C ATOM 597 O ALA A 72 4.838 2.475 7.953 1.00 0.45 O ATOM 598 CB ALA A 72 8.104 2.230 7.164 1.00 0.56 C ATOM 0 H ALA A 72 8.207 -0.178 7.476 1.00 0.49 H new ATOM 0 HA ALA A 72 7.013 1.881 8.978 1.00 0.49 H new ATOM 0 HB1 ALA A 72 7.856 3.291 7.126 1.00 0.56 H new ATOM 0 HB2 ALA A 72 9.073 2.101 7.647 1.00 0.56 H new ATOM 0 HB3 ALA A 72 8.148 1.831 6.151 1.00 0.56 H new ATOM 604 N VAL A 73 5.254 0.954 6.361 1.00 0.39 N ATOM 605 CA VAL A 73 3.928 1.008 5.780 1.00 0.38 C ATOM 606 C VAL A 73 2.860 0.383 6.681 1.00 0.35 C ATOM 607 O VAL A 73 1.777 0.946 6.835 1.00 0.33 O ATOM 608 CB VAL A 73 3.983 0.367 4.387 1.00 0.44 C ATOM 609 CG1 VAL A 73 4.792 1.223 3.411 1.00 0.51 C ATOM 610 CG2 VAL A 73 4.614 -1.006 4.354 1.00 0.47 C ATOM 0 H VAL A 73 5.877 0.290 5.902 1.00 0.39 H new ATOM 0 HA VAL A 73 3.622 2.050 5.681 1.00 0.38 H new ATOM 0 HB VAL A 73 2.934 0.288 4.101 1.00 0.44 H new ATOM 0 HG11 VAL A 73 4.811 0.741 2.434 1.00 0.51 H new ATOM 0 HG12 VAL A 73 4.331 2.207 3.321 1.00 0.51 H new ATOM 0 HG13 VAL A 73 5.811 1.333 3.782 1.00 0.51 H new ATOM 0 HG21 VAL A 73 4.611 -1.383 3.331 1.00 0.47 H new ATOM 0 HG22 VAL A 73 5.641 -0.943 4.715 1.00 0.47 H new ATOM 0 HG23 VAL A 73 4.046 -1.683 4.992 1.00 0.47 H new ATOM 620 N VAL A 74 3.175 -0.737 7.340 1.00 0.36 N ATOM 621 CA VAL A 74 2.241 -1.472 8.211 1.00 0.36 C ATOM 622 C VAL A 74 2.053 -0.780 9.570 1.00 0.33 C ATOM 623 O VAL A 74 0.943 -0.762 10.103 1.00 0.35 O ATOM 624 CB VAL A 74 2.667 -2.947 8.319 1.00 0.42 C ATOM 625 CG1 VAL A 74 1.758 -3.770 9.231 1.00 0.49 C ATOM 626 CG2 VAL A 74 2.608 -3.610 6.935 1.00 0.48 C ATOM 0 H VAL A 74 4.098 -1.168 7.285 1.00 0.36 H new ATOM 0 HA VAL A 74 1.251 -1.460 7.755 1.00 0.36 H new ATOM 0 HB VAL A 74 3.675 -2.934 8.734 1.00 0.42 H new ATOM 0 HG11 VAL A 74 2.112 -4.800 9.264 1.00 0.49 H new ATOM 0 HG12 VAL A 74 1.773 -3.349 10.236 1.00 0.49 H new ATOM 0 HG13 VAL A 74 0.739 -3.749 8.844 1.00 0.49 H new ATOM 0 HG21 VAL A 74 2.911 -4.654 7.018 1.00 0.48 H new ATOM 0 HG22 VAL A 74 1.590 -3.557 6.549 1.00 0.48 H new ATOM 0 HG23 VAL A 74 3.282 -3.090 6.254 1.00 0.48 H new ATOM 636 N GLN A 75 3.091 -0.117 10.084 1.00 0.32 N ATOM 637 CA GLN A 75 3.035 0.786 11.231 1.00 0.33 C ATOM 638 C GLN A 75 2.155 1.998 10.932 1.00 0.30 C ATOM 639 O GLN A 75 1.248 2.267 11.712 1.00 0.32 O ATOM 640 CB GLN A 75 4.444 1.208 11.682 1.00 0.42 C ATOM 641 CG GLN A 75 5.158 0.089 12.463 1.00 0.54 C ATOM 642 CD GLN A 75 4.547 -0.208 13.836 1.00 1.01 C ATOM 643 OE1 GLN A 75 3.839 0.592 14.441 1.00 2.21 O ATOM 644 NE2 GLN A 75 4.799 -1.369 14.394 1.00 0.76 N ATOM 0 H GLN A 75 4.031 -0.199 9.695 1.00 0.32 H new ATOM 0 HA GLN A 75 2.579 0.244 12.060 1.00 0.33 H new ATOM 0 HB2 GLN A 75 5.039 1.477 10.809 1.00 0.42 H new ATOM 0 HB3 GLN A 75 4.373 2.098 12.307 1.00 0.42 H new ATOM 0 HG2 GLN A 75 5.142 -0.823 11.866 1.00 0.54 H new ATOM 0 HG3 GLN A 75 6.204 0.365 12.595 1.00 0.54 H new ATOM 0 HE21 GLN A 75 5.385 -2.051 13.911 1.00 0.76 H new ATOM 0 HE22 GLN A 75 4.409 -1.590 15.310 1.00 0.76 H new ATOM 653 N ILE A 76 2.329 2.689 9.796 1.00 0.27 N ATOM 654 CA ILE A 76 1.472 3.852 9.479 1.00 0.25 C ATOM 655 C ILE A 76 -0.001 3.434 9.385 1.00 0.24 C ATOM 656 O ILE A 76 -0.869 4.123 9.921 1.00 0.26 O ATOM 657 CB ILE A 76 1.980 4.584 8.216 1.00 0.25 C ATOM 658 CG1 ILE A 76 3.283 5.333 8.577 1.00 0.29 C ATOM 659 CG2 ILE A 76 0.946 5.584 7.657 1.00 0.28 C ATOM 660 CD1 ILE A 76 4.035 5.850 7.350 1.00 0.32 C ATOM 0 H ILE A 76 3.036 2.474 9.093 1.00 0.27 H new ATOM 0 HA ILE A 76 1.536 4.571 10.295 1.00 0.25 H new ATOM 0 HB ILE A 76 2.156 3.840 7.439 1.00 0.25 H new ATOM 0 HG12 ILE A 76 3.044 6.172 9.230 1.00 0.29 H new ATOM 0 HG13 ILE A 76 3.935 4.666 9.141 1.00 0.29 H new ATOM 0 HG21 ILE A 76 1.353 6.071 6.771 1.00 0.28 H new ATOM 0 HG22 ILE A 76 0.032 5.052 7.392 1.00 0.28 H new ATOM 0 HG23 ILE A 76 0.722 6.336 8.413 1.00 0.28 H new ATOM 0 HD11 ILE A 76 4.940 6.366 7.669 1.00 0.32 H new ATOM 0 HD12 ILE A 76 4.303 5.011 6.707 1.00 0.32 H new ATOM 0 HD13 ILE A 76 3.398 6.541 6.798 1.00 0.32 H new ATOM 672 N LEU A 77 -0.278 2.276 8.780 1.00 0.24 N ATOM 673 CA LEU A 77 -1.627 1.698 8.726 1.00 0.27 C ATOM 674 C LEU A 77 -2.208 1.401 10.122 1.00 0.32 C ATOM 675 O LEU A 77 -3.222 2.005 10.486 1.00 0.35 O ATOM 676 CB LEU A 77 -1.616 0.466 7.802 1.00 0.31 C ATOM 677 CG LEU A 77 -1.498 0.847 6.314 1.00 0.31 C ATOM 678 CD1 LEU A 77 -1.158 -0.381 5.468 1.00 0.39 C ATOM 679 CD2 LEU A 77 -2.810 1.443 5.797 1.00 0.33 C ATOM 0 H LEU A 77 0.429 1.709 8.311 1.00 0.24 H new ATOM 0 HA LEU A 77 -2.305 2.439 8.302 1.00 0.27 H new ATOM 0 HB2 LEU A 77 -0.783 -0.182 8.075 1.00 0.31 H new ATOM 0 HB3 LEU A 77 -2.530 -0.108 7.956 1.00 0.31 H new ATOM 0 HG LEU A 77 -0.702 1.587 6.230 1.00 0.31 H new ATOM 0 HD11 LEU A 77 -1.079 -0.091 4.420 1.00 0.39 H new ATOM 0 HD12 LEU A 77 -0.209 -0.801 5.801 1.00 0.39 H new ATOM 0 HD13 LEU A 77 -1.944 -1.128 5.579 1.00 0.39 H new ATOM 0 HD21 LEU A 77 -2.701 1.704 4.744 1.00 0.33 H new ATOM 0 HD22 LEU A 77 -3.611 0.712 5.909 1.00 0.33 H new ATOM 0 HD23 LEU A 77 -3.053 2.338 6.369 1.00 0.33 H new ATOM 691 N ARG A 78 -1.567 0.555 10.942 1.00 0.34 N ATOM 692 CA ARG A 78 -2.040 0.230 12.286 1.00 0.42 C ATOM 693 C ARG A 78 -2.117 1.429 13.244 1.00 0.43 C ATOM 694 O ARG A 78 -3.016 1.471 14.082 1.00 0.51 O ATOM 695 CB ARG A 78 -1.194 -0.938 12.816 1.00 0.50 C ATOM 696 CG ARG A 78 0.114 -0.528 13.511 1.00 0.56 C ATOM 697 CD ARG A 78 0.878 -1.681 14.173 1.00 0.80 C ATOM 698 NE ARG A 78 1.386 -2.696 13.226 1.00 1.90 N ATOM 699 CZ ARG A 78 1.071 -3.980 13.210 1.00 2.79 C ATOM 700 NH1 ARG A 78 0.055 -4.480 13.849 1.00 3.24 N ATOM 701 NH2 ARG A 78 1.815 -4.805 12.541 1.00 4.33 N ATOM 0 H ARG A 78 -0.703 0.078 10.686 1.00 0.34 H new ATOM 0 HA ARG A 78 -3.084 -0.077 12.224 1.00 0.42 H new ATOM 0 HB2 ARG A 78 -1.796 -1.514 13.519 1.00 0.50 H new ATOM 0 HB3 ARG A 78 -0.954 -1.600 11.984 1.00 0.50 H new ATOM 0 HG2 ARG A 78 0.765 -0.053 12.778 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -0.113 0.222 14.269 1.00 0.56 H new ATOM 0 HD2 ARG A 78 1.718 -1.271 14.733 1.00 0.80 H new ATOM 0 HD3 ARG A 78 0.222 -2.169 14.894 1.00 0.80 H new ATOM 0 HE ARG A 78 2.044 -2.374 12.516 1.00 1.90 H new ATOM 0 HH11 ARG A 78 -0.550 -3.872 14.401 1.00 3.24 H new ATOM 0 HH12 ARG A 78 -0.137 -5.480 13.798 1.00 3.24 H new ATOM 0 HH21 ARG A 78 2.631 -4.461 12.036 1.00 4.33 H new ATOM 0 HH22 ARG A 78 1.584 -5.798 12.520 1.00 4.33 H new ATOM 715 N LEU A 79 -1.244 2.435 13.115 1.00 0.39 N ATOM 716 CA LEU A 79 -1.317 3.682 13.880 1.00 0.41 C ATOM 717 C LEU A 79 -2.594 4.460 13.544 1.00 0.40 C ATOM 718 O LEU A 79 -3.263 4.964 14.447 1.00 0.44 O ATOM 719 CB LEU A 79 -0.084 4.538 13.550 1.00 0.39 C ATOM 720 CG LEU A 79 1.235 4.084 14.202 1.00 0.43 C ATOM 721 CD1 LEU A 79 2.375 4.872 13.556 1.00 0.42 C ATOM 722 CD2 LEU A 79 1.256 4.351 15.708 1.00 0.53 C ATOM 0 H LEU A 79 -0.457 2.404 12.467 1.00 0.39 H new ATOM 0 HA LEU A 79 -1.338 3.445 14.944 1.00 0.41 H new ATOM 0 HB2 LEU A 79 0.051 4.547 12.468 1.00 0.39 H new ATOM 0 HB3 LEU A 79 -0.285 5.565 13.855 1.00 0.39 H new ATOM 0 HG LEU A 79 1.341 3.010 14.051 1.00 0.43 H new ATOM 0 HD11 LEU A 79 3.323 4.570 14.000 1.00 0.42 H new ATOM 0 HD12 LEU A 79 2.395 4.671 12.485 1.00 0.42 H new ATOM 0 HD13 LEU A 79 2.220 5.938 13.722 1.00 0.42 H new ATOM 0 HD21 LEU A 79 2.206 4.014 16.124 1.00 0.53 H new ATOM 0 HD22 LEU A 79 1.139 5.419 15.890 1.00 0.53 H new ATOM 0 HD23 LEU A 79 0.439 3.810 16.185 1.00 0.53 H new ATOM 734 N HIS A 80 -2.973 4.487 12.263 1.00 0.37 N ATOM 735 CA HIS A 80 -4.237 5.052 11.796 1.00 0.39 C ATOM 736 C HIS A 80 -5.469 4.174 12.094 1.00 0.46 C ATOM 737 O HIS A 80 -6.579 4.595 11.780 1.00 0.55 O ATOM 738 CB HIS A 80 -4.108 5.392 10.301 1.00 0.35 C ATOM 739 CG HIS A 80 -3.531 6.764 10.065 1.00 0.33 C ATOM 740 ND1 HIS A 80 -4.187 7.941 10.310 1.00 0.34 N ATOM 741 CD2 HIS A 80 -2.293 7.096 9.585 1.00 0.32 C ATOM 742 CE1 HIS A 80 -3.394 8.961 9.976 1.00 0.34 C ATOM 743 NE2 HIS A 80 -2.218 8.499 9.507 1.00 0.32 N ATOM 0 H HIS A 80 -2.398 4.109 11.510 1.00 0.37 H new ATOM 0 HA HIS A 80 -4.423 5.963 12.365 1.00 0.39 H new ATOM 0 HB2 HIS A 80 -3.476 4.648 9.817 1.00 0.35 H new ATOM 0 HB3 HIS A 80 -5.090 5.330 9.832 1.00 0.35 H new ATOM 0 HD2 HIS A 80 -1.511 6.403 9.314 1.00 0.32 H new ATOM 0 HE1 HIS A 80 -3.656 10.005 10.068 1.00 0.34 H new ATOM 0 HE2 HIS A 80 -1.433 9.054 9.165 1.00 0.32 H new ATOM 751 N GLY A 81 -5.318 3.004 12.728 1.00 0.46 N ATOM 752 CA GLY A 81 -6.431 2.104 13.061 1.00 0.54 C ATOM 753 C GLY A 81 -6.745 1.046 11.993 1.00 0.56 C ATOM 754 O GLY A 81 -7.764 0.358 12.104 1.00 0.70 O ATOM 0 H GLY A 81 -4.409 2.651 13.028 1.00 0.46 H new ATOM 0 HA2 GLY A 81 -6.202 1.597 13.998 1.00 0.54 H new ATOM 0 HA3 GLY A 81 -7.325 2.703 13.233 1.00 0.54 H new ATOM 758 N VAL A 82 -5.903 0.923 10.956 1.00 0.47 N ATOM 759 CA VAL A 82 -6.139 0.101 9.757 1.00 0.47 C ATOM 760 C VAL A 82 -5.331 -1.195 9.791 1.00 0.47 C ATOM 761 O VAL A 82 -4.111 -1.177 9.941 1.00 0.58 O ATOM 762 CB VAL A 82 -5.851 0.894 8.464 1.00 0.44 C ATOM 763 CG1 VAL A 82 -6.214 0.086 7.208 1.00 0.44 C ATOM 764 CG2 VAL A 82 -6.656 2.199 8.418 1.00 0.46 C ATOM 0 H VAL A 82 -5.007 1.410 10.927 1.00 0.47 H new ATOM 0 HA VAL A 82 -7.195 -0.168 9.758 1.00 0.47 H new ATOM 0 HB VAL A 82 -4.782 1.107 8.475 1.00 0.44 H new ATOM 0 HG11 VAL A 82 -5.997 0.678 6.319 1.00 0.44 H new ATOM 0 HG12 VAL A 82 -5.628 -0.833 7.184 1.00 0.44 H new ATOM 0 HG13 VAL A 82 -7.275 -0.162 7.229 1.00 0.44 H new ATOM 0 HG21 VAL A 82 -6.430 2.733 7.495 1.00 0.46 H new ATOM 0 HG22 VAL A 82 -7.721 1.971 8.454 1.00 0.46 H new ATOM 0 HG23 VAL A 82 -6.389 2.821 9.272 1.00 0.46 H new ATOM 774 N ARG A 83 -6.014 -2.328 9.593 1.00 0.44 N ATOM 775 CA ARG A 83 -5.464 -3.685 9.625 1.00 0.50 C ATOM 776 C ARG A 83 -6.052 -4.615 8.559 1.00 0.48 C ATOM 777 O ARG A 83 -5.512 -5.685 8.294 1.00 0.59 O ATOM 778 CB ARG A 83 -5.573 -4.272 11.037 1.00 0.69 C ATOM 779 CG ARG A 83 -6.860 -3.988 11.820 1.00 1.00 C ATOM 780 CD ARG A 83 -8.162 -4.534 11.214 1.00 1.99 C ATOM 781 NE ARG A 83 -8.120 -5.994 11.018 1.00 2.62 N ATOM 782 CZ ARG A 83 -9.131 -6.797 10.750 1.00 3.65 C ATOM 783 NH1 ARG A 83 -10.352 -6.399 10.568 1.00 4.14 N ATOM 784 NH2 ARG A 83 -8.932 -8.072 10.664 1.00 4.89 N ATOM 0 H ARG A 83 -7.015 -2.321 9.396 1.00 0.44 H new ATOM 0 HA ARG A 83 -4.408 -3.604 9.366 1.00 0.50 H new ATOM 0 HB2 ARG A 83 -5.455 -5.353 10.963 1.00 0.69 H new ATOM 0 HB3 ARG A 83 -4.733 -3.899 11.623 1.00 0.69 H new ATOM 0 HG2 ARG A 83 -6.749 -4.403 12.822 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -6.961 -2.908 11.931 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -8.998 -4.281 11.867 1.00 1.99 H new ATOM 0 HD3 ARG A 83 -8.347 -4.047 10.257 1.00 1.99 H new ATOM 0 HE ARG A 83 -7.203 -6.434 11.099 1.00 2.62 H new ATOM 0 HH11 ARG A 83 -10.579 -5.407 10.629 1.00 4.14 H new ATOM 0 HH12 ARG A 83 -11.085 -7.078 10.364 1.00 4.14 H new ATOM 0 HH21 ARG A 83 -7.996 -8.453 10.803 1.00 4.89 H new ATOM 0 HH22 ARG A 83 -9.711 -8.697 10.457 1.00 4.89 H new ATOM 798 N ASP A 84 -7.135 -4.181 7.922 1.00 0.50 N ATOM 799 CA ASP A 84 -7.944 -4.938 6.964 1.00 0.54 C ATOM 800 C ASP A 84 -7.471 -4.773 5.505 1.00 0.46 C ATOM 801 O ASP A 84 -8.257 -4.925 4.564 1.00 0.54 O ATOM 802 CB ASP A 84 -9.412 -4.555 7.196 1.00 0.81 C ATOM 803 CG ASP A 84 -10.420 -5.495 6.546 1.00 2.26 C ATOM 804 OD1 ASP A 84 -10.308 -6.733 6.691 1.00 3.43 O ATOM 805 OD2 ASP A 84 -11.384 -4.983 5.931 1.00 3.21 O ATOM 0 H ASP A 84 -7.495 -3.238 8.067 1.00 0.50 H new ATOM 0 HA ASP A 84 -7.825 -6.008 7.136 1.00 0.54 H new ATOM 0 HB2 ASP A 84 -9.601 -4.525 8.269 1.00 0.81 H new ATOM 0 HB3 ASP A 84 -9.576 -3.547 6.815 1.00 0.81 H new ATOM 810 N TYR A 85 -6.177 -4.478 5.308 1.00 0.38 N ATOM 811 CA TYR A 85 -5.552 -4.518 3.992 1.00 0.34 C ATOM 812 C TYR A 85 -5.488 -5.969 3.485 1.00 0.35 C ATOM 813 O TYR A 85 -5.520 -6.928 4.260 1.00 0.40 O ATOM 814 CB TYR A 85 -4.092 -3.966 4.032 1.00 0.39 C ATOM 815 CG TYR A 85 -3.244 -4.522 5.150 1.00 0.47 C ATOM 816 CD1 TYR A 85 -2.711 -5.803 4.965 1.00 1.88 C ATOM 817 CD2 TYR A 85 -3.084 -3.848 6.380 1.00 1.63 C ATOM 818 CE1 TYR A 85 -2.156 -6.498 6.054 1.00 2.01 C ATOM 819 CE2 TYR A 85 -2.456 -4.515 7.452 1.00 1.61 C ATOM 820 CZ TYR A 85 -2.039 -5.858 7.305 1.00 0.79 C ATOM 821 OH TYR A 85 -1.548 -6.536 8.374 1.00 0.99 O ATOM 0 H TYR A 85 -5.542 -4.207 6.059 1.00 0.38 H new ATOM 0 HA TYR A 85 -6.157 -3.897 3.331 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -3.607 -4.187 3.081 1.00 0.39 H new ATOM 0 HB3 TYR A 85 -4.130 -2.881 4.126 1.00 0.39 H new ATOM 0 HD1 TYR A 85 -2.726 -6.258 3.985 1.00 1.88 H new ATOM 0 HD2 TYR A 85 -3.438 -2.835 6.498 1.00 1.63 H new ATOM 0 HE1 TYR A 85 -1.821 -7.517 5.933 1.00 2.01 H new ATOM 0 HE2 TYR A 85 -2.293 -3.999 8.387 1.00 1.61 H new ATOM 0 HH TYR A 85 -1.534 -5.947 9.157 1.00 0.99 H new ATOM 831 N ALA A 86 -5.295 -6.102 2.174 1.00 0.33 N ATOM 832 CA ALA A 86 -4.697 -7.289 1.576 1.00 0.32 C ATOM 833 C ALA A 86 -3.229 -6.975 1.260 1.00 0.31 C ATOM 834 O ALA A 86 -2.949 -6.039 0.508 1.00 0.34 O ATOM 835 CB ALA A 86 -5.521 -7.700 0.354 1.00 0.36 C ATOM 0 H ALA A 86 -5.551 -5.385 1.496 1.00 0.33 H new ATOM 0 HA ALA A 86 -4.706 -8.143 2.253 1.00 0.32 H new ATOM 0 HB1 ALA A 86 -5.081 -8.588 -0.100 1.00 0.36 H new ATOM 0 HB2 ALA A 86 -6.544 -7.919 0.662 1.00 0.36 H new ATOM 0 HB3 ALA A 86 -5.527 -6.886 -0.371 1.00 0.36 H new ATOM 841 N ALA A 87 -2.292 -7.694 1.882 1.00 0.31 N ATOM 842 CA ALA A 87 -0.859 -7.444 1.752 1.00 0.30 C ATOM 843 C ALA A 87 -0.268 -8.409 0.691 1.00 0.29 C ATOM 844 O ALA A 87 -0.129 -9.608 0.941 1.00 0.36 O ATOM 845 CB ALA A 87 -0.167 -7.663 3.107 1.00 0.35 C ATOM 0 H ALA A 87 -2.513 -8.476 2.498 1.00 0.31 H new ATOM 0 HA ALA A 87 -0.694 -6.414 1.437 1.00 0.30 H new ATOM 0 HB1 ALA A 87 0.902 -7.475 3.004 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -0.586 -6.979 3.845 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -0.325 -8.691 3.434 1.00 0.35 H new ATOM 851 N TYR A 88 0.089 -7.914 -0.488 1.00 0.28 N ATOM 852 CA TYR A 88 0.652 -8.672 -1.606 1.00 0.29 C ATOM 853 C TYR A 88 2.167 -8.780 -1.519 1.00 0.25 C ATOM 854 O TYR A 88 2.888 -7.794 -1.691 1.00 0.26 O ATOM 855 CB TYR A 88 0.224 -8.045 -2.944 1.00 0.33 C ATOM 856 CG TYR A 88 -1.194 -8.393 -3.348 1.00 0.47 C ATOM 857 CD1 TYR A 88 -2.285 -7.879 -2.623 1.00 1.77 C ATOM 858 CD2 TYR A 88 -1.417 -9.242 -4.446 1.00 1.91 C ATOM 859 CE1 TYR A 88 -3.602 -8.257 -2.957 1.00 1.80 C ATOM 860 CE2 TYR A 88 -2.735 -9.580 -4.812 1.00 2.02 C ATOM 861 CZ TYR A 88 -3.827 -9.132 -4.040 1.00 0.89 C ATOM 862 OH TYR A 88 -5.081 -9.571 -4.326 1.00 1.15 O ATOM 0 H TYR A 88 -0.010 -6.922 -0.704 1.00 0.28 H new ATOM 0 HA TYR A 88 0.257 -9.686 -1.548 1.00 0.29 H new ATOM 0 HB2 TYR A 88 0.318 -6.961 -2.875 1.00 0.33 H new ATOM 0 HB3 TYR A 88 0.908 -8.375 -3.726 1.00 0.33 H new ATOM 0 HD1 TYR A 88 -2.113 -7.192 -1.807 1.00 1.77 H new ATOM 0 HD2 TYR A 88 -0.581 -9.634 -5.007 1.00 1.91 H new ATOM 0 HE1 TYR A 88 -4.436 -7.878 -2.385 1.00 1.80 H new ATOM 0 HE2 TYR A 88 -2.910 -10.186 -5.689 1.00 2.02 H new ATOM 0 HH TYR A 88 -5.050 -10.165 -5.105 1.00 1.15 H new ATOM 872 N ASN A 89 2.639 -10.013 -1.337 1.00 0.32 N ATOM 873 CA ASN A 89 4.012 -10.394 -1.501 1.00 0.33 C ATOM 874 C ASN A 89 4.385 -10.478 -2.987 1.00 0.33 C ATOM 875 O ASN A 89 3.987 -11.418 -3.684 1.00 0.44 O ATOM 876 CB ASN A 89 4.181 -11.732 -0.779 1.00 0.47 C ATOM 877 CG ASN A 89 5.638 -12.039 -0.576 1.00 1.12 C ATOM 878 OD1 ASN A 89 6.505 -11.649 -1.345 1.00 2.16 O ATOM 879 ND2 ASN A 89 5.951 -12.734 0.480 1.00 1.19 N ATOM 0 H ASN A 89 2.040 -10.792 -1.061 1.00 0.32 H new ATOM 0 HA ASN A 89 4.687 -9.652 -1.074 1.00 0.33 H new ATOM 0 HB2 ASN A 89 3.672 -11.699 0.184 1.00 0.47 H new ATOM 0 HB3 ASN A 89 3.713 -12.527 -1.359 1.00 0.47 H new ATOM 0 HD21 ASN A 89 6.927 -12.958 0.672 1.00 1.19 H new ATOM 0 HD22 ASN A 89 5.220 -13.054 1.115 1.00 1.19 H new ATOM 886 N VAL A 90 5.166 -9.516 -3.474 1.00 0.32 N ATOM 887 CA VAL A 90 5.598 -9.462 -4.887 1.00 0.44 C ATOM 888 C VAL A 90 6.805 -10.355 -5.214 1.00 0.59 C ATOM 889 O VAL A 90 7.257 -10.363 -6.353 1.00 0.84 O ATOM 890 CB VAL A 90 5.768 -8.019 -5.406 1.00 0.49 C ATOM 891 CG1 VAL A 90 4.502 -7.192 -5.133 1.00 0.49 C ATOM 892 CG2 VAL A 90 6.981 -7.295 -4.810 1.00 0.51 C ATOM 0 H VAL A 90 5.523 -8.747 -2.907 1.00 0.32 H new ATOM 0 HA VAL A 90 4.769 -9.898 -5.445 1.00 0.44 H new ATOM 0 HB VAL A 90 5.938 -8.108 -6.479 1.00 0.49 H new ATOM 0 HG11 VAL A 90 4.642 -6.178 -5.507 1.00 0.49 H new ATOM 0 HG12 VAL A 90 3.652 -7.650 -5.638 1.00 0.49 H new ATOM 0 HG13 VAL A 90 4.312 -7.160 -4.060 1.00 0.49 H new ATOM 0 HG21 VAL A 90 7.040 -6.286 -5.219 1.00 0.51 H new ATOM 0 HG22 VAL A 90 6.877 -7.242 -3.726 1.00 0.51 H new ATOM 0 HG23 VAL A 90 7.890 -7.841 -5.061 1.00 0.51 H new ATOM 902 N LEU A 91 7.312 -11.140 -4.256 1.00 0.56 N ATOM 903 CA LEU A 91 8.321 -12.185 -4.510 1.00 0.77 C ATOM 904 C LEU A 91 7.686 -13.479 -5.035 1.00 0.78 C ATOM 905 O LEU A 91 8.336 -14.242 -5.752 1.00 0.92 O ATOM 906 CB LEU A 91 9.084 -12.498 -3.210 1.00 0.90 C ATOM 907 CG LEU A 91 9.931 -11.346 -2.663 1.00 1.05 C ATOM 908 CD1 LEU A 91 10.389 -11.677 -1.242 1.00 1.08 C ATOM 909 CD2 LEU A 91 11.157 -11.081 -3.542 1.00 1.47 C ATOM 0 H LEU A 91 7.035 -11.071 -3.277 1.00 0.56 H new ATOM 0 HA LEU A 91 9.001 -11.803 -5.271 1.00 0.77 H new ATOM 0 HB2 LEU A 91 8.365 -12.794 -2.447 1.00 0.90 H new ATOM 0 HB3 LEU A 91 9.734 -13.355 -3.385 1.00 0.90 H new ATOM 0 HG LEU A 91 9.314 -10.448 -2.661 1.00 1.05 H new ATOM 0 HD11 LEU A 91 10.992 -10.856 -0.854 1.00 1.08 H new ATOM 0 HD12 LEU A 91 9.518 -11.821 -0.603 1.00 1.08 H new ATOM 0 HD13 LEU A 91 10.984 -12.590 -1.255 1.00 1.08 H new ATOM 0 HD21 LEU A 91 11.734 -10.257 -3.123 1.00 1.47 H new ATOM 0 HD22 LEU A 91 11.778 -11.976 -3.580 1.00 1.47 H new ATOM 0 HD23 LEU A 91 10.833 -10.821 -4.550 1.00 1.47 H new ATOM 921 N ASP A 92 6.424 -13.729 -4.675 1.00 0.69 N ATOM 922 CA ASP A 92 5.743 -15.018 -4.881 1.00 0.70 C ATOM 923 C ASP A 92 5.481 -15.326 -6.360 1.00 0.64 C ATOM 924 O ASP A 92 5.528 -16.484 -6.779 1.00 0.73 O ATOM 925 CB ASP A 92 4.422 -15.003 -4.109 1.00 0.84 C ATOM 926 CG ASP A 92 3.927 -16.374 -3.618 1.00 1.03 C ATOM 927 OD1 ASP A 92 4.717 -17.350 -3.546 1.00 1.77 O ATOM 928 OD2 ASP A 92 2.745 -16.452 -3.204 1.00 2.26 O ATOM 0 H ASP A 92 5.833 -13.031 -4.224 1.00 0.69 H new ATOM 0 HA ASP A 92 6.401 -15.805 -4.513 1.00 0.70 H new ATOM 0 HB2 ASP A 92 4.533 -14.346 -3.246 1.00 0.84 H new ATOM 0 HB3 ASP A 92 3.654 -14.566 -4.746 1.00 0.84 H new ATOM 933 N ASP A 93 5.231 -14.285 -7.153 1.00 0.65 N ATOM 934 CA ASP A 93 5.034 -14.338 -8.596 1.00 0.73 C ATOM 935 C ASP A 93 5.969 -13.353 -9.341 1.00 0.70 C ATOM 936 O ASP A 93 5.904 -12.142 -9.087 1.00 0.64 O ATOM 937 CB ASP A 93 3.584 -13.957 -8.892 1.00 0.95 C ATOM 938 CG ASP A 93 2.560 -15.064 -8.648 1.00 1.06 C ATOM 939 OD1 ASP A 93 2.670 -16.172 -9.232 1.00 2.24 O ATOM 940 OD2 ASP A 93 1.579 -14.813 -7.922 1.00 1.88 O ATOM 0 H ASP A 93 5.157 -13.336 -6.786 1.00 0.65 H new ATOM 0 HA ASP A 93 5.264 -15.346 -8.941 1.00 0.73 H new ATOM 0 HB2 ASP A 93 3.318 -13.096 -8.278 1.00 0.95 H new ATOM 0 HB3 ASP A 93 3.513 -13.641 -9.933 1.00 0.95 H new ATOM 945 N PRO A 94 6.747 -13.807 -10.347 1.00 0.79 N ATOM 946 CA PRO A 94 7.508 -12.904 -11.222 1.00 0.82 C ATOM 947 C PRO A 94 6.598 -11.943 -12.003 1.00 0.69 C ATOM 948 O PRO A 94 7.013 -10.839 -12.362 1.00 0.65 O ATOM 949 CB PRO A 94 8.288 -13.825 -12.164 1.00 1.05 C ATOM 950 CG PRO A 94 7.449 -15.098 -12.223 1.00 1.05 C ATOM 951 CD PRO A 94 6.875 -15.184 -10.811 1.00 0.92 C ATOM 0 HA PRO A 94 8.166 -12.256 -10.643 1.00 0.82 H new ATOM 0 HB2 PRO A 94 8.404 -13.379 -13.152 1.00 1.05 H new ATOM 0 HB3 PRO A 94 9.290 -14.026 -11.785 1.00 1.05 H new ATOM 0 HG2 PRO A 94 6.664 -15.032 -12.976 1.00 1.05 H new ATOM 0 HG3 PRO A 94 8.054 -15.971 -12.469 1.00 1.05 H new ATOM 0 HD2 PRO A 94 5.908 -15.687 -10.812 1.00 0.92 H new ATOM 0 HD3 PRO A 94 7.532 -15.757 -10.157 1.00 0.92 H new ATOM 959 N GLU A 95 5.341 -12.337 -12.221 1.00 0.68 N ATOM 960 CA GLU A 95 4.270 -11.533 -12.775 1.00 0.67 C ATOM 961 C GLU A 95 3.926 -10.326 -11.893 1.00 0.59 C ATOM 962 O GLU A 95 3.837 -9.206 -12.400 1.00 0.63 O ATOM 963 CB GLU A 95 3.047 -12.448 -12.900 1.00 0.75 C ATOM 964 CG GLU A 95 3.262 -13.700 -13.765 1.00 0.88 C ATOM 965 CD GLU A 95 1.983 -14.539 -13.864 1.00 2.04 C ATOM 966 OE1 GLU A 95 1.487 -15.026 -12.819 1.00 3.36 O ATOM 967 OE2 GLU A 95 1.464 -14.738 -14.994 1.00 2.90 O ATOM 0 H GLU A 95 5.034 -13.284 -11.999 1.00 0.68 H new ATOM 0 HA GLU A 95 4.582 -11.131 -13.739 1.00 0.67 H new ATOM 0 HB2 GLU A 95 2.743 -12.762 -11.902 1.00 0.75 H new ATOM 0 HB3 GLU A 95 2.222 -11.872 -13.319 1.00 0.75 H new ATOM 0 HG2 GLU A 95 3.582 -13.403 -14.764 1.00 0.88 H new ATOM 0 HG3 GLU A 95 4.063 -14.304 -13.340 1.00 0.88 H new ATOM 974 N LEU A 96 3.798 -10.536 -10.576 1.00 0.53 N ATOM 975 CA LEU A 96 3.580 -9.456 -9.607 1.00 0.51 C ATOM 976 C LEU A 96 4.807 -8.542 -9.546 1.00 0.49 C ATOM 977 O LEU A 96 4.670 -7.320 -9.568 1.00 0.52 O ATOM 978 CB LEU A 96 3.294 -9.999 -8.188 1.00 0.55 C ATOM 979 CG LEU A 96 1.913 -10.630 -7.935 1.00 0.56 C ATOM 980 CD1 LEU A 96 1.858 -11.150 -6.493 1.00 0.66 C ATOM 981 CD2 LEU A 96 0.774 -9.626 -8.114 1.00 0.61 C ATOM 0 H LEU A 96 3.843 -11.463 -10.152 1.00 0.53 H new ATOM 0 HA LEU A 96 2.708 -8.897 -9.946 1.00 0.51 H new ATOM 0 HB2 LEU A 96 4.053 -10.745 -7.954 1.00 0.55 H new ATOM 0 HB3 LEU A 96 3.424 -9.179 -7.481 1.00 0.55 H new ATOM 0 HG LEU A 96 1.785 -11.432 -8.661 1.00 0.56 H new ATOM 0 HD11 LEU A 96 0.883 -11.599 -6.305 1.00 0.66 H new ATOM 0 HD12 LEU A 96 2.636 -11.899 -6.346 1.00 0.66 H new ATOM 0 HD13 LEU A 96 2.016 -10.322 -5.801 1.00 0.66 H new ATOM 0 HD21 LEU A 96 -0.179 -10.120 -7.925 1.00 0.61 H new ATOM 0 HD22 LEU A 96 0.902 -8.802 -7.412 1.00 0.61 H new ATOM 0 HD23 LEU A 96 0.786 -9.240 -9.133 1.00 0.61 H new ATOM 993 N ARG A 97 6.007 -9.139 -9.509 1.00 0.48 N ATOM 994 CA ARG A 97 7.287 -8.417 -9.418 1.00 0.51 C ATOM 995 C ARG A 97 7.456 -7.420 -10.567 1.00 0.52 C ATOM 996 O ARG A 97 7.576 -6.212 -10.345 1.00 0.53 O ATOM 997 CB ARG A 97 8.410 -9.468 -9.358 1.00 0.57 C ATOM 998 CG ARG A 97 9.748 -8.943 -8.824 1.00 0.70 C ATOM 999 CD ARG A 97 10.593 -10.161 -8.434 1.00 0.77 C ATOM 1000 NE ARG A 97 11.982 -9.821 -8.084 1.00 1.87 N ATOM 1001 CZ ARG A 97 12.920 -10.683 -7.744 1.00 2.45 C ATOM 1002 NH1 ARG A 97 12.689 -11.957 -7.624 1.00 1.85 N ATOM 1003 NH2 ARG A 97 14.138 -10.298 -7.512 1.00 3.86 N ATOM 0 H ARG A 97 6.119 -10.152 -9.542 1.00 0.48 H new ATOM 0 HA ARG A 97 7.321 -7.808 -8.515 1.00 0.51 H new ATOM 0 HB2 ARG A 97 8.082 -10.295 -8.729 1.00 0.57 H new ATOM 0 HB3 ARG A 97 8.566 -9.871 -10.359 1.00 0.57 H new ATOM 0 HG2 ARG A 97 10.258 -8.349 -9.582 1.00 0.70 H new ATOM 0 HG3 ARG A 97 9.590 -8.293 -7.963 1.00 0.70 H new ATOM 0 HD2 ARG A 97 10.125 -10.662 -7.587 1.00 0.77 H new ATOM 0 HD3 ARG A 97 10.598 -10.871 -9.261 1.00 0.77 H new ATOM 0 HE ARG A 97 12.241 -8.835 -8.106 1.00 1.87 H new ATOM 0 HH11 ARG A 97 11.753 -12.324 -7.795 1.00 1.85 H new ATOM 0 HH12 ARG A 97 13.444 -12.589 -7.359 1.00 1.85 H new ATOM 0 HH21 ARG A 97 14.385 -9.312 -7.591 1.00 3.86 H new ATOM 0 HH22 ARG A 97 14.848 -10.982 -7.250 1.00 3.86 H new ATOM 1017 N GLN A 98 7.373 -7.910 -11.804 1.00 0.55 N ATOM 1018 CA GLN A 98 7.484 -7.065 -12.995 1.00 0.62 C ATOM 1019 C GLN A 98 6.294 -6.130 -13.148 1.00 0.62 C ATOM 1020 O GLN A 98 6.467 -4.959 -13.475 1.00 0.67 O ATOM 1021 CB GLN A 98 7.619 -7.949 -14.239 1.00 0.73 C ATOM 1022 CG GLN A 98 8.163 -7.176 -15.450 1.00 1.20 C ATOM 1023 CD GLN A 98 8.416 -8.097 -16.637 1.00 1.75 C ATOM 1024 OE1 GLN A 98 9.537 -8.518 -16.912 1.00 2.54 O ATOM 1025 NE2 GLN A 98 7.393 -8.482 -17.366 1.00 2.14 N ATOM 0 H GLN A 98 7.228 -8.899 -12.009 1.00 0.55 H new ATOM 0 HA GLN A 98 8.372 -6.443 -12.880 1.00 0.62 H new ATOM 0 HB2 GLN A 98 8.282 -8.785 -14.017 1.00 0.73 H new ATOM 0 HB3 GLN A 98 6.646 -8.372 -14.488 1.00 0.73 H new ATOM 0 HG2 GLN A 98 7.453 -6.400 -15.736 1.00 1.20 H new ATOM 0 HG3 GLN A 98 9.090 -6.673 -15.175 1.00 1.20 H new ATOM 0 HE21 GLN A 98 6.456 -8.141 -17.150 1.00 2.14 H new ATOM 0 HE22 GLN A 98 7.536 -9.122 -18.148 1.00 2.14 H new ATOM 1034 N GLY A 99 5.100 -6.639 -12.855 1.00 0.60 N ATOM 1035 CA GLY A 99 3.868 -5.859 -12.917 1.00 0.62 C ATOM 1036 C GLY A 99 3.941 -4.596 -12.053 1.00 0.60 C ATOM 1037 O GLY A 99 3.552 -3.523 -12.507 1.00 0.66 O ATOM 0 H GLY A 99 4.960 -7.607 -12.567 1.00 0.60 H new ATOM 0 HA2 GLY A 99 3.668 -5.579 -13.951 1.00 0.62 H new ATOM 0 HA3 GLY A 99 3.032 -6.476 -12.587 1.00 0.62 H new ATOM 1041 N ILE A 100 4.518 -4.681 -10.848 1.00 0.56 N ATOM 1042 CA ILE A 100 4.619 -3.548 -9.928 1.00 0.60 C ATOM 1043 C ILE A 100 5.826 -2.648 -10.227 1.00 0.64 C ATOM 1044 O ILE A 100 5.692 -1.418 -10.203 1.00 0.67 O ATOM 1045 CB ILE A 100 4.514 -4.055 -8.489 1.00 0.57 C ATOM 1046 CG1 ILE A 100 3.654 -3.087 -7.671 1.00 0.46 C ATOM 1047 CG2 ILE A 100 5.868 -4.305 -7.804 1.00 0.68 C ATOM 1048 CD1 ILE A 100 2.171 -3.003 -8.072 1.00 0.70 C ATOM 0 H ILE A 100 4.928 -5.541 -10.485 1.00 0.56 H new ATOM 0 HA ILE A 100 3.777 -2.873 -10.080 1.00 0.60 H new ATOM 0 HB ILE A 100 4.040 -5.035 -8.536 1.00 0.57 H new ATOM 0 HG12 ILE A 100 3.711 -3.378 -6.622 1.00 0.46 H new ATOM 0 HG13 ILE A 100 4.089 -2.090 -7.749 1.00 0.46 H new ATOM 0 HG21 ILE A 100 5.701 -4.662 -6.788 1.00 0.68 H new ATOM 0 HG22 ILE A 100 6.427 -5.054 -8.365 1.00 0.68 H new ATOM 0 HG23 ILE A 100 6.437 -3.376 -7.773 1.00 0.68 H new ATOM 0 HD11 ILE A 100 1.660 -2.289 -7.427 1.00 0.70 H new ATOM 0 HD12 ILE A 100 2.092 -2.677 -9.109 1.00 0.70 H new ATOM 0 HD13 ILE A 100 1.709 -3.984 -7.965 1.00 0.70 H new ATOM 1060 N LYS A 101 6.968 -3.253 -10.610 1.00 0.64 N ATOM 1061 CA LYS A 101 8.149 -2.528 -11.121 1.00 0.69 C ATOM 1062 C LYS A 101 7.838 -1.702 -12.369 1.00 0.73 C ATOM 1063 O LYS A 101 8.495 -0.687 -12.603 1.00 0.89 O ATOM 1064 CB LYS A 101 9.278 -3.520 -11.434 1.00 0.68 C ATOM 1065 CG LYS A 101 9.947 -4.039 -10.147 1.00 0.69 C ATOM 1066 CD LYS A 101 10.836 -5.266 -10.385 1.00 0.73 C ATOM 1067 CE LYS A 101 12.094 -4.936 -11.194 1.00 1.20 C ATOM 1068 NZ LYS A 101 12.871 -6.161 -11.498 1.00 1.36 N ATOM 0 H LYS A 101 7.098 -4.264 -10.573 1.00 0.64 H new ATOM 0 HA LYS A 101 8.460 -1.836 -10.338 1.00 0.69 H new ATOM 0 HB2 LYS A 101 8.878 -4.360 -12.002 1.00 0.68 H new ATOM 0 HB3 LYS A 101 10.025 -3.036 -12.064 1.00 0.68 H new ATOM 0 HG2 LYS A 101 10.548 -3.242 -9.710 1.00 0.69 H new ATOM 0 HG3 LYS A 101 9.175 -4.292 -9.420 1.00 0.69 H new ATOM 0 HD2 LYS A 101 11.128 -5.690 -9.424 1.00 0.73 H new ATOM 0 HD3 LYS A 101 10.262 -6.030 -10.909 1.00 0.73 H new ATOM 0 HE2 LYS A 101 11.813 -4.440 -12.123 1.00 1.20 H new ATOM 0 HE3 LYS A 101 12.716 -4.237 -10.635 1.00 1.20 H new ATOM 0 HZ1 LYS A 101 13.718 -5.908 -12.047 1.00 1.36 H new ATOM 0 HZ2 LYS A 101 13.158 -6.619 -10.610 1.00 1.36 H new ATOM 0 HZ3 LYS A 101 12.283 -6.817 -12.051 1.00 1.36 H new ATOM 1082 N ASP A 102 6.839 -2.105 -13.152 1.00 0.71 N ATOM 1083 CA ASP A 102 6.306 -1.299 -14.244 1.00 0.79 C ATOM 1084 C ASP A 102 5.312 -0.242 -13.733 1.00 0.89 C ATOM 1085 O ASP A 102 5.535 0.955 -13.925 1.00 0.98 O ATOM 1086 CB ASP A 102 5.664 -2.202 -15.308 1.00 0.82 C ATOM 1087 CG ASP A 102 5.522 -1.460 -16.635 1.00 1.00 C ATOM 1088 OD1 ASP A 102 4.550 -0.690 -16.840 1.00 1.77 O ATOM 1089 OD2 ASP A 102 6.429 -1.593 -17.488 1.00 1.86 O ATOM 0 H ASP A 102 6.375 -3.007 -13.044 1.00 0.71 H new ATOM 0 HA ASP A 102 7.135 -0.761 -14.705 1.00 0.79 H new ATOM 0 HB2 ASP A 102 6.273 -3.095 -15.449 1.00 0.82 H new ATOM 0 HB3 ASP A 102 4.684 -2.535 -14.966 1.00 0.82 H new ATOM 1094 N TYR A 103 4.235 -0.666 -13.059 1.00 0.86 N ATOM 1095 CA TYR A 103 3.079 0.175 -12.710 1.00 0.89 C ATOM 1096 C TYR A 103 3.446 1.379 -11.827 1.00 0.96 C ATOM 1097 O TYR A 103 2.973 2.484 -12.092 1.00 1.04 O ATOM 1098 CB TYR A 103 2.027 -0.728 -12.052 1.00 0.87 C ATOM 1099 CG TYR A 103 0.608 -0.195 -11.947 1.00 0.78 C ATOM 1100 CD1 TYR A 103 0.276 0.794 -11.001 1.00 2.14 C ATOM 1101 CD2 TYR A 103 -0.407 -0.804 -12.713 1.00 1.48 C ATOM 1102 CE1 TYR A 103 -1.078 1.145 -10.799 1.00 2.13 C ATOM 1103 CE2 TYR A 103 -1.759 -0.474 -12.496 1.00 1.48 C ATOM 1104 CZ TYR A 103 -2.095 0.500 -11.541 1.00 0.74 C ATOM 1105 OH TYR A 103 -3.409 0.788 -11.353 1.00 0.76 O ATOM 0 H TYR A 103 4.140 -1.628 -12.732 1.00 0.86 H new ATOM 0 HA TYR A 103 2.677 0.622 -13.619 1.00 0.89 H new ATOM 0 HB2 TYR A 103 1.994 -1.665 -12.608 1.00 0.87 H new ATOM 0 HB3 TYR A 103 2.371 -0.967 -11.046 1.00 0.87 H new ATOM 0 HD1 TYR A 103 1.053 1.282 -10.432 1.00 2.14 H new ATOM 0 HD2 TYR A 103 -0.146 -1.528 -13.471 1.00 1.48 H new ATOM 0 HE1 TYR A 103 -1.336 1.906 -10.078 1.00 2.13 H new ATOM 0 HE2 TYR A 103 -2.535 -0.968 -13.062 1.00 1.48 H new ATOM 0 HH TYR A 103 -3.953 0.242 -11.957 1.00 0.76 H new ATOM 1115 N SER A 104 4.343 1.208 -10.845 1.00 0.96 N ATOM 1116 CA SER A 104 4.906 2.325 -10.054 1.00 1.03 C ATOM 1117 C SER A 104 6.336 2.716 -10.465 1.00 1.11 C ATOM 1118 O SER A 104 6.975 3.521 -9.788 1.00 1.26 O ATOM 1119 CB SER A 104 4.795 2.054 -8.550 1.00 1.18 C ATOM 1120 OG SER A 104 3.448 2.181 -8.132 1.00 2.40 O ATOM 0 H SER A 104 4.702 0.293 -10.573 1.00 0.96 H new ATOM 0 HA SER A 104 4.293 3.196 -10.285 1.00 1.03 H new ATOM 0 HB2 SER A 104 5.161 1.052 -8.325 1.00 1.18 H new ATOM 0 HB3 SER A 104 5.423 2.754 -7.999 1.00 1.18 H new ATOM 0 HG SER A 104 3.422 2.504 -7.207 1.00 2.40 H new ATOM 1126 N ASN A 105 6.832 2.173 -11.583 1.00 1.11 N ATOM 1127 CA ASN A 105 8.140 2.454 -12.205 1.00 1.25 C ATOM 1128 C ASN A 105 9.398 2.163 -11.350 1.00 1.27 C ATOM 1129 O ASN A 105 10.507 2.444 -11.808 1.00 1.57 O ATOM 1130 CB ASN A 105 8.126 3.894 -12.762 1.00 1.56 C ATOM 1131 CG ASN A 105 9.199 4.159 -13.812 1.00 1.98 C ATOM 1132 OD1 ASN A 105 9.194 3.610 -14.905 1.00 2.46 O ATOM 1133 ND2 ASN A 105 10.139 5.033 -13.540 1.00 2.02 N ATOM 0 H ASN A 105 6.301 1.482 -12.114 1.00 1.11 H new ATOM 0 HA ASN A 105 8.249 1.727 -13.009 1.00 1.25 H new ATOM 0 HB2 ASN A 105 7.147 4.095 -13.198 1.00 1.56 H new ATOM 0 HB3 ASN A 105 8.258 4.594 -11.937 1.00 1.56 H new ATOM 0 HD21 ASN A 105 10.853 5.247 -14.236 1.00 2.02 H new ATOM 0 HD22 ASN A 105 10.155 5.498 -12.633 1.00 2.02 H new ATOM 1140 N TRP A 106 9.277 1.635 -10.126 1.00 1.16 N ATOM 1141 CA TRP A 106 10.385 1.573 -9.168 1.00 1.14 C ATOM 1142 C TRP A 106 10.943 0.159 -8.977 1.00 1.13 C ATOM 1143 O TRP A 106 10.164 -0.766 -8.721 1.00 1.24 O ATOM 1144 CB TRP A 106 9.981 2.186 -7.818 1.00 1.13 C ATOM 1145 CG TRP A 106 10.885 3.298 -7.396 1.00 1.21 C ATOM 1146 CD1 TRP A 106 11.955 3.179 -6.580 1.00 1.23 C ATOM 1147 CD2 TRP A 106 10.847 4.703 -7.801 1.00 1.34 C ATOM 1148 NE1 TRP A 106 12.548 4.411 -6.405 1.00 1.38 N ATOM 1149 CE2 TRP A 106 11.908 5.390 -7.136 1.00 1.44 C ATOM 1150 CE3 TRP A 106 10.025 5.464 -8.664 1.00 1.46 C ATOM 1151 CZ2 TRP A 106 12.122 6.767 -7.292 1.00 1.62 C ATOM 1152 CZ3 TRP A 106 10.229 6.849 -8.822 1.00 1.66 C ATOM 1153 CH2 TRP A 106 11.269 7.502 -8.134 1.00 1.73 C ATOM 0 H TRP A 106 8.406 1.238 -9.772 1.00 1.16 H new ATOM 0 HA TRP A 106 11.191 2.167 -9.599 1.00 1.14 H new ATOM 0 HB2 TRP A 106 8.959 2.559 -7.884 1.00 1.13 H new ATOM 0 HB3 TRP A 106 9.987 1.408 -7.054 1.00 1.13 H new ATOM 0 HD1 TRP A 106 12.295 2.257 -6.132 1.00 1.23 H new ATOM 0 HE1 TRP A 106 13.359 4.578 -5.809 1.00 1.38 H new ATOM 0 HE3 TRP A 106 9.230 4.977 -9.209 1.00 1.46 H new ATOM 0 HZ2 TRP A 106 12.932 7.257 -6.772 1.00 1.62 H new ATOM 0 HZ3 TRP A 106 9.582 7.414 -9.476 1.00 1.66 H new ATOM 0 HH2 TRP A 106 11.412 8.566 -8.253 1.00 1.73 H new ATOM 1164 N PRO A 107 12.279 -0.025 -8.988 1.00 1.08 N ATOM 1165 CA PRO A 107 12.888 -1.330 -8.755 1.00 1.13 C ATOM 1166 C PRO A 107 12.629 -1.850 -7.335 1.00 1.15 C ATOM 1167 O PRO A 107 12.431 -3.057 -7.178 1.00 1.23 O ATOM 1168 CB PRO A 107 14.385 -1.140 -9.036 1.00 1.15 C ATOM 1169 CG PRO A 107 14.623 0.344 -8.769 1.00 1.38 C ATOM 1170 CD PRO A 107 13.312 0.975 -9.232 1.00 1.13 C ATOM 0 HA PRO A 107 12.454 -2.089 -9.406 1.00 1.13 H new ATOM 0 HB2 PRO A 107 14.996 -1.766 -8.386 1.00 1.15 H new ATOM 0 HB3 PRO A 107 14.636 -1.407 -10.063 1.00 1.15 H new ATOM 0 HG2 PRO A 107 14.819 0.541 -7.715 1.00 1.38 H new ATOM 0 HG3 PRO A 107 15.477 0.725 -9.328 1.00 1.38 H new ATOM 0 HD2 PRO A 107 13.105 1.893 -8.682 1.00 1.13 H new ATOM 0 HD3 PRO A 107 13.358 1.240 -10.288 1.00 1.13 H new ATOM 1178 N THR A 108 12.598 -0.965 -6.323 1.00 1.12 N ATOM 1179 CA THR A 108 12.481 -1.354 -4.898 1.00 1.38 C ATOM 1180 C THR A 108 11.931 -0.246 -3.976 1.00 1.30 C ATOM 1181 O THR A 108 12.629 0.288 -3.115 1.00 1.84 O ATOM 1182 CB THR A 108 13.815 -1.867 -4.312 1.00 1.74 C ATOM 1183 OG1 THR A 108 14.622 -2.591 -5.217 1.00 2.69 O ATOM 1184 CG2 THR A 108 13.552 -2.825 -3.152 1.00 2.23 C ATOM 0 H THR A 108 12.653 0.043 -6.466 1.00 1.12 H new ATOM 0 HA THR A 108 11.750 -2.163 -4.917 1.00 1.38 H new ATOM 0 HB THR A 108 14.338 -0.957 -4.018 1.00 1.74 H new ATOM 0 HG1 THR A 108 15.444 -2.876 -4.766 1.00 2.69 H new ATOM 0 HG21 THR A 108 14.501 -3.178 -2.749 1.00 2.23 H new ATOM 0 HG22 THR A 108 12.997 -2.306 -2.370 1.00 2.23 H new ATOM 0 HG23 THR A 108 12.970 -3.675 -3.507 1.00 2.23 H new ATOM 1192 N ILE A 109 10.649 0.085 -4.115 1.00 1.00 N ATOM 1193 CA ILE A 109 9.864 0.834 -3.104 1.00 0.88 C ATOM 1194 C ILE A 109 8.474 0.180 -2.966 1.00 0.81 C ATOM 1195 O ILE A 109 7.751 0.124 -3.963 1.00 1.52 O ATOM 1196 CB ILE A 109 9.743 2.342 -3.460 1.00 1.40 C ATOM 1197 CG1 ILE A 109 11.082 3.113 -3.368 1.00 2.51 C ATOM 1198 CG2 ILE A 109 8.696 3.069 -2.588 1.00 1.34 C ATOM 1199 CD1 ILE A 109 11.664 3.316 -1.961 1.00 4.01 C ATOM 0 H ILE A 109 10.106 -0.158 -4.944 1.00 1.00 H new ATOM 0 HA ILE A 109 10.387 0.786 -2.149 1.00 0.88 H new ATOM 0 HB ILE A 109 9.420 2.344 -4.501 1.00 1.40 H new ATOM 0 HG12 ILE A 109 11.821 2.584 -3.969 1.00 2.51 H new ATOM 0 HG13 ILE A 109 10.943 4.093 -3.824 1.00 2.51 H new ATOM 0 HG21 ILE A 109 8.649 4.119 -2.875 1.00 1.34 H new ATOM 0 HG22 ILE A 109 7.719 2.609 -2.734 1.00 1.34 H new ATOM 0 HG23 ILE A 109 8.980 2.992 -1.538 1.00 1.34 H new ATOM 0 HD11 ILE A 109 12.601 3.868 -2.031 1.00 4.01 H new ATOM 0 HD12 ILE A 109 10.956 3.878 -1.352 1.00 4.01 H new ATOM 0 HD13 ILE A 109 11.849 2.346 -1.500 1.00 4.01 H new ATOM 1211 N PRO A 110 8.051 -0.283 -1.770 1.00 0.47 N ATOM 1212 CA PRO A 110 6.743 -0.911 -1.596 1.00 0.60 C ATOM 1213 C PRO A 110 5.614 0.130 -1.617 1.00 0.45 C ATOM 1214 O PRO A 110 5.839 1.304 -1.309 1.00 0.45 O ATOM 1215 CB PRO A 110 6.836 -1.702 -0.297 1.00 0.93 C ATOM 1216 CG PRO A 110 7.915 -1.020 0.520 1.00 0.51 C ATOM 1217 CD PRO A 110 8.771 -0.256 -0.500 1.00 0.49 C ATOM 0 HA PRO A 110 6.491 -1.582 -2.417 1.00 0.60 H new ATOM 0 HB2 PRO A 110 5.883 -1.699 0.232 1.00 0.93 H new ATOM 0 HB3 PRO A 110 7.091 -2.744 -0.490 1.00 0.93 H new ATOM 0 HG2 PRO A 110 7.482 -0.343 1.256 1.00 0.51 H new ATOM 0 HG3 PRO A 110 8.513 -1.748 1.069 1.00 0.51 H new ATOM 0 HD2 PRO A 110 8.936 0.770 -0.172 1.00 0.49 H new ATOM 0 HD3 PRO A 110 9.752 -0.719 -0.603 1.00 0.49 H new ATOM 1225 N GLN A 111 4.406 -0.284 -2.012 1.00 0.49 N ATOM 1226 CA GLN A 111 3.325 0.604 -2.452 1.00 0.63 C ATOM 1227 C GLN A 111 2.036 0.367 -1.649 1.00 0.44 C ATOM 1228 O GLN A 111 1.851 -0.700 -1.051 1.00 0.34 O ATOM 1229 CB GLN A 111 3.074 0.377 -3.957 1.00 0.97 C ATOM 1230 CG GLN A 111 4.288 0.471 -4.891 1.00 1.00 C ATOM 1231 CD GLN A 111 4.735 1.898 -5.126 1.00 1.68 C ATOM 1232 OE1 GLN A 111 3.958 2.759 -5.508 1.00 3.17 O ATOM 1233 NE2 GLN A 111 5.998 2.197 -4.963 1.00 2.18 N ATOM 0 H GLN A 111 4.146 -1.270 -2.035 1.00 0.49 H new ATOM 0 HA GLN A 111 3.626 1.637 -2.278 1.00 0.63 H new ATOM 0 HB2 GLN A 111 2.628 -0.610 -4.080 1.00 0.97 H new ATOM 0 HB3 GLN A 111 2.334 1.105 -4.290 1.00 0.97 H new ATOM 0 HG2 GLN A 111 5.114 -0.099 -4.465 1.00 1.00 H new ATOM 0 HG3 GLN A 111 4.042 0.009 -5.847 1.00 1.00 H new ATOM 0 HE21 GLN A 111 6.654 1.484 -4.644 1.00 2.18 H new ATOM 0 HE22 GLN A 111 6.327 3.143 -5.155 1.00 2.18 H new ATOM 1242 N VAL A 112 1.104 1.326 -1.673 1.00 0.47 N ATOM 1243 CA VAL A 112 -0.273 1.099 -1.243 1.00 0.36 C ATOM 1244 C VAL A 112 -1.235 1.810 -2.184 1.00 0.35 C ATOM 1245 O VAL A 112 -0.983 2.934 -2.628 1.00 0.53 O ATOM 1246 CB VAL A 112 -0.464 1.469 0.238 1.00 0.39 C ATOM 1247 CG1 VAL A 112 -0.372 2.967 0.546 1.00 0.47 C ATOM 1248 CG2 VAL A 112 -1.793 0.925 0.779 1.00 0.36 C ATOM 0 H VAL A 112 1.286 2.278 -1.991 1.00 0.47 H new ATOM 0 HA VAL A 112 -0.503 0.035 -1.305 1.00 0.36 H new ATOM 0 HB VAL A 112 0.378 0.996 0.743 1.00 0.39 H new ATOM 0 HG11 VAL A 112 -0.519 3.129 1.614 1.00 0.47 H new ATOM 0 HG12 VAL A 112 0.611 3.339 0.255 1.00 0.47 H new ATOM 0 HG13 VAL A 112 -1.142 3.501 -0.011 1.00 0.47 H new ATOM 0 HG21 VAL A 112 -1.900 1.202 1.828 1.00 0.36 H new ATOM 0 HG22 VAL A 112 -2.619 1.347 0.206 1.00 0.36 H new ATOM 0 HG23 VAL A 112 -1.806 -0.161 0.688 1.00 0.36 H new ATOM 1258 N TYR A 113 -2.334 1.127 -2.491 1.00 0.28 N ATOM 1259 CA TYR A 113 -3.377 1.619 -3.388 1.00 0.32 C ATOM 1260 C TYR A 113 -4.703 1.610 -2.616 1.00 0.35 C ATOM 1261 O TYR A 113 -5.098 0.573 -2.070 1.00 0.43 O ATOM 1262 CB TYR A 113 -3.427 0.755 -4.659 1.00 0.37 C ATOM 1263 CG TYR A 113 -2.090 0.635 -5.374 1.00 0.57 C ATOM 1264 CD1 TYR A 113 -1.173 -0.338 -4.944 1.00 2.64 C ATOM 1265 CD2 TYR A 113 -1.754 1.474 -6.454 1.00 1.60 C ATOM 1266 CE1 TYR A 113 0.071 -0.478 -5.581 1.00 2.92 C ATOM 1267 CE2 TYR A 113 -0.488 1.368 -7.072 1.00 1.42 C ATOM 1268 CZ TYR A 113 0.426 0.384 -6.635 1.00 1.16 C ATOM 1269 OH TYR A 113 1.654 0.250 -7.199 1.00 1.52 O ATOM 0 H TYR A 113 -2.529 0.198 -2.117 1.00 0.28 H new ATOM 0 HA TYR A 113 -3.171 2.638 -3.715 1.00 0.32 H new ATOM 0 HB2 TYR A 113 -3.778 -0.243 -4.395 1.00 0.37 H new ATOM 0 HB3 TYR A 113 -4.159 1.179 -5.346 1.00 0.37 H new ATOM 0 HD1 TYR A 113 -1.427 -0.984 -4.117 1.00 2.64 H new ATOM 0 HD2 TYR A 113 -2.467 2.202 -6.811 1.00 1.60 H new ATOM 0 HE1 TYR A 113 0.756 -1.249 -5.261 1.00 2.92 H new ATOM 0 HE2 TYR A 113 -0.220 2.037 -7.876 1.00 1.42 H new ATOM 0 HH TYR A 113 2.007 1.135 -7.427 1.00 1.52 H new ATOM 1279 N LEU A 114 -5.374 2.761 -2.524 1.00 0.32 N ATOM 1280 CA LEU A 114 -6.618 2.906 -1.756 1.00 0.32 C ATOM 1281 C LEU A 114 -7.825 2.950 -2.677 1.00 0.41 C ATOM 1282 O LEU A 114 -7.865 3.746 -3.616 1.00 0.48 O ATOM 1283 CB LEU A 114 -6.584 4.090 -0.773 1.00 0.32 C ATOM 1284 CG LEU A 114 -6.277 3.662 0.673 1.00 0.34 C ATOM 1285 CD1 LEU A 114 -4.849 3.168 0.833 1.00 0.35 C ATOM 1286 CD2 LEU A 114 -6.535 4.834 1.620 1.00 0.40 C ATOM 0 H LEU A 114 -5.071 3.622 -2.980 1.00 0.32 H new ATOM 0 HA LEU A 114 -6.712 2.017 -1.133 1.00 0.32 H new ATOM 0 HB2 LEU A 114 -5.831 4.806 -1.102 1.00 0.32 H new ATOM 0 HB3 LEU A 114 -7.545 4.604 -0.798 1.00 0.32 H new ATOM 0 HG LEU A 114 -6.937 2.831 0.921 1.00 0.34 H new ATOM 0 HD11 LEU A 114 -4.679 2.877 1.870 1.00 0.35 H new ATOM 0 HD12 LEU A 114 -4.687 2.308 0.183 1.00 0.35 H new ATOM 0 HD13 LEU A 114 -4.156 3.964 0.561 1.00 0.35 H new ATOM 0 HD21 LEU A 114 -6.317 4.529 2.644 1.00 0.40 H new ATOM 0 HD22 LEU A 114 -5.893 5.671 1.346 1.00 0.40 H new ATOM 0 HD23 LEU A 114 -7.579 5.138 1.546 1.00 0.40 H new ATOM 1298 N ASN A 115 -8.811 2.090 -2.402 1.00 0.48 N ATOM 1299 CA ASN A 115 -9.968 1.887 -3.284 1.00 0.62 C ATOM 1300 C ASN A 115 -9.547 1.498 -4.728 1.00 0.73 C ATOM 1301 O ASN A 115 -10.232 1.816 -5.696 1.00 0.96 O ATOM 1302 CB ASN A 115 -10.841 3.149 -3.192 1.00 0.60 C ATOM 1303 CG ASN A 115 -12.334 2.888 -3.187 1.00 0.80 C ATOM 1304 OD1 ASN A 115 -12.842 1.828 -3.528 1.00 0.94 O ATOM 1305 ND2 ASN A 115 -13.079 3.859 -2.727 1.00 0.87 N ATOM 0 H ASN A 115 -8.831 1.514 -1.561 1.00 0.48 H new ATOM 0 HA ASN A 115 -10.560 1.032 -2.959 1.00 0.62 H new ATOM 0 HB2 ASN A 115 -10.578 3.691 -2.284 1.00 0.60 H new ATOM 0 HB3 ASN A 115 -10.603 3.801 -4.032 1.00 0.60 H new ATOM 0 HD21 ASN A 115 -14.089 3.735 -2.651 1.00 0.87 H new ATOM 0 HD22 ASN A 115 -12.651 4.740 -2.444 1.00 0.87 H new ATOM 1312 N GLY A 116 -8.370 0.875 -4.865 1.00 0.64 N ATOM 1313 CA GLY A 116 -7.650 0.594 -6.114 1.00 0.70 C ATOM 1314 C GLY A 116 -6.931 1.755 -6.807 1.00 0.64 C ATOM 1315 O GLY A 116 -6.380 1.556 -7.890 1.00 0.79 O ATOM 0 H GLY A 116 -7.861 0.530 -4.051 1.00 0.64 H new ATOM 0 HA2 GLY A 116 -6.911 -0.180 -5.906 1.00 0.70 H new ATOM 0 HA3 GLY A 116 -8.363 0.172 -6.823 1.00 0.70 H new ATOM 1319 N GLU A 117 -6.926 2.967 -6.258 1.00 0.58 N ATOM 1320 CA GLU A 117 -6.231 4.106 -6.862 1.00 0.65 C ATOM 1321 C GLU A 117 -4.826 4.257 -6.291 1.00 0.66 C ATOM 1322 O GLU A 117 -4.563 3.949 -5.129 1.00 0.61 O ATOM 1323 CB GLU A 117 -7.062 5.377 -6.709 1.00 0.67 C ATOM 1324 CG GLU A 117 -6.493 6.593 -7.421 1.00 0.83 C ATOM 1325 CD GLU A 117 -7.408 7.812 -7.315 1.00 0.98 C ATOM 1326 OE1 GLU A 117 -8.612 7.712 -7.657 1.00 1.86 O ATOM 1327 OE2 GLU A 117 -6.906 8.887 -6.900 1.00 1.39 O ATOM 0 H GLU A 117 -7.402 3.189 -5.384 1.00 0.58 H new ATOM 0 HA GLU A 117 -6.114 3.920 -7.930 1.00 0.65 H new ATOM 0 HB2 GLU A 117 -8.066 5.187 -7.088 1.00 0.67 H new ATOM 0 HB3 GLU A 117 -7.160 5.606 -5.648 1.00 0.67 H new ATOM 0 HG2 GLU A 117 -5.519 6.836 -6.997 1.00 0.83 H new ATOM 0 HG3 GLU A 117 -6.333 6.353 -8.472 1.00 0.83 H new ATOM 1334 N PHE A 118 -3.927 4.751 -7.131 1.00 0.77 N ATOM 1335 CA PHE A 118 -2.543 5.020 -6.786 1.00 0.81 C ATOM 1336 C PHE A 118 -2.374 6.370 -6.098 1.00 0.85 C ATOM 1337 O PHE A 118 -2.997 7.391 -6.415 1.00 0.97 O ATOM 1338 CB PHE A 118 -1.682 4.870 -8.041 1.00 0.99 C ATOM 1339 CG PHE A 118 -0.214 5.217 -7.887 1.00 1.01 C ATOM 1340 CD1 PHE A 118 0.547 4.761 -6.790 1.00 1.62 C ATOM 1341 CD2 PHE A 118 0.395 5.994 -8.887 1.00 2.55 C ATOM 1342 CE1 PHE A 118 1.918 5.064 -6.722 1.00 1.61 C ATOM 1343 CE2 PHE A 118 1.767 6.295 -8.817 1.00 2.79 C ATOM 1344 CZ PHE A 118 2.532 5.821 -7.736 1.00 1.50 C ATOM 0 H PHE A 118 -4.150 4.982 -8.099 1.00 0.77 H new ATOM 0 HA PHE A 118 -2.204 4.290 -6.050 1.00 0.81 H new ATOM 0 HB2 PHE A 118 -1.757 3.839 -8.387 1.00 0.99 H new ATOM 0 HB3 PHE A 118 -2.104 5.501 -8.824 1.00 0.99 H new ATOM 0 HD1 PHE A 118 0.079 4.183 -6.007 1.00 1.62 H new ATOM 0 HD2 PHE A 118 -0.194 6.362 -9.714 1.00 2.55 H new ATOM 0 HE1 PHE A 118 2.504 4.713 -5.885 1.00 1.61 H new ATOM 0 HE2 PHE A 118 2.232 6.888 -9.591 1.00 2.79 H new ATOM 0 HZ PHE A 118 3.589 6.038 -7.685 1.00 1.50 H new ATOM 1354 N VAL A 119 -1.564 6.265 -5.056 1.00 0.78 N ATOM 1355 CA VAL A 119 -1.817 6.825 -3.736 1.00 0.78 C ATOM 1356 C VAL A 119 -0.474 7.010 -3.055 1.00 0.80 C ATOM 1357 O VAL A 119 -0.134 8.138 -2.705 1.00 0.94 O ATOM 1358 CB VAL A 119 -2.760 5.837 -3.025 1.00 0.89 C ATOM 1359 CG1 VAL A 119 -2.583 5.609 -1.539 1.00 0.83 C ATOM 1360 CG2 VAL A 119 -4.180 6.354 -3.240 1.00 1.59 C ATOM 0 H VAL A 119 -0.675 5.767 -5.108 1.00 0.78 H new ATOM 0 HA VAL A 119 -2.300 7.802 -3.740 1.00 0.78 H new ATOM 0 HB VAL A 119 -2.526 4.869 -3.467 1.00 0.89 H new ATOM 0 HG11 VAL A 119 -3.322 4.888 -1.191 1.00 0.83 H new ATOM 0 HG12 VAL A 119 -1.582 5.224 -1.347 1.00 0.83 H new ATOM 0 HG13 VAL A 119 -2.717 6.551 -1.008 1.00 0.83 H new ATOM 0 HG21 VAL A 119 -4.889 5.684 -2.753 1.00 1.59 H new ATOM 0 HG22 VAL A 119 -4.272 7.353 -2.813 1.00 1.59 H new ATOM 0 HG23 VAL A 119 -4.395 6.394 -4.308 1.00 1.59 H new ATOM 1370 N GLY A 120 0.356 5.960 -3.058 1.00 0.75 N ATOM 1371 CA GLY A 120 1.786 6.157 -3.237 1.00 0.89 C ATOM 1372 C GLY A 120 2.691 5.004 -2.797 1.00 0.67 C ATOM 1373 O GLY A 120 2.256 4.041 -2.164 1.00 0.54 O ATOM 0 H GLY A 120 0.065 4.990 -2.941 1.00 0.75 H new ATOM 0 HA2 GLY A 120 1.974 6.356 -4.292 1.00 0.89 H new ATOM 0 HA3 GLY A 120 2.079 7.051 -2.687 1.00 0.89 H new ATOM 1377 N GLY A 121 3.980 5.139 -3.116 1.00 0.73 N ATOM 1378 CA GLY A 121 5.055 4.347 -2.518 1.00 0.60 C ATOM 1379 C GLY A 121 5.379 4.784 -1.086 1.00 0.61 C ATOM 1380 O GLY A 121 5.010 5.880 -0.658 1.00 0.66 O ATOM 0 H GLY A 121 4.310 5.812 -3.808 1.00 0.73 H new ATOM 0 HA2 GLY A 121 4.770 3.295 -2.518 1.00 0.60 H new ATOM 0 HA3 GLY A 121 5.951 4.434 -3.133 1.00 0.60 H new ATOM 1384 N CYS A 122 6.133 3.972 -0.342 1.00 0.60 N ATOM 1385 CA CYS A 122 6.544 4.274 1.037 1.00 0.59 C ATOM 1386 C CYS A 122 7.326 5.597 1.208 1.00 0.66 C ATOM 1387 O CYS A 122 7.359 6.171 2.297 1.00 0.67 O ATOM 1388 CB CYS A 122 7.382 3.086 1.507 1.00 0.60 C ATOM 1389 SG CYS A 122 7.678 3.173 3.298 1.00 0.69 S ATOM 0 H CYS A 122 6.481 3.075 -0.681 1.00 0.60 H new ATOM 0 HA CYS A 122 5.647 4.421 1.639 1.00 0.59 H new ATOM 0 HB2 CYS A 122 6.870 2.155 1.263 1.00 0.60 H new ATOM 0 HB3 CYS A 122 8.334 3.074 0.977 1.00 0.60 H new ATOM 0 HG CYS A 122 7.702 4.417 3.674 1.00 0.69 H new ATOM 1395 N ASP A 123 7.933 6.112 0.137 1.00 0.85 N ATOM 1396 CA ASP A 123 8.604 7.421 0.141 1.00 1.01 C ATOM 1397 C ASP A 123 7.597 8.589 0.180 1.00 0.94 C ATOM 1398 O ASP A 123 7.812 9.594 0.858 1.00 1.00 O ATOM 1399 CB ASP A 123 9.506 7.494 -1.099 1.00 1.32 C ATOM 1400 CG ASP A 123 10.538 8.611 -0.980 1.00 1.58 C ATOM 1401 OD1 ASP A 123 11.439 8.482 -0.115 1.00 1.68 O ATOM 1402 OD2 ASP A 123 10.480 9.590 -1.761 1.00 2.86 O ATOM 0 H ASP A 123 7.975 5.634 -0.763 1.00 0.85 H new ATOM 0 HA ASP A 123 9.204 7.519 1.045 1.00 1.01 H new ATOM 0 HB2 ASP A 123 10.016 6.540 -1.235 1.00 1.32 H new ATOM 0 HB3 ASP A 123 8.893 7.657 -1.986 1.00 1.32 H new ATOM 1407 N ILE A 124 6.455 8.400 -0.490 1.00 0.86 N ATOM 1408 CA ILE A 124 5.325 9.336 -0.592 1.00 0.86 C ATOM 1409 C ILE A 124 4.459 9.259 0.667 1.00 0.75 C ATOM 1410 O ILE A 124 4.055 10.286 1.210 1.00 0.81 O ATOM 1411 CB ILE A 124 4.529 9.055 -1.878 1.00 0.88 C ATOM 1412 CG1 ILE A 124 5.533 9.217 -3.043 1.00 0.87 C ATOM 1413 CG2 ILE A 124 3.307 9.993 -1.949 1.00 0.86 C ATOM 1414 CD1 ILE A 124 4.887 9.428 -4.395 1.00 2.69 C ATOM 0 H ILE A 124 6.282 7.538 -1.007 1.00 0.86 H new ATOM 0 HA ILE A 124 5.696 10.359 -0.658 1.00 0.86 H new ATOM 0 HB ILE A 124 4.109 8.050 -1.919 1.00 0.88 H new ATOM 0 HG12 ILE A 124 6.187 10.063 -2.829 1.00 0.87 H new ATOM 0 HG13 ILE A 124 6.165 8.330 -3.089 1.00 0.87 H new ATOM 0 HG21 ILE A 124 2.746 9.791 -2.861 1.00 0.86 H new ATOM 0 HG22 ILE A 124 2.667 9.822 -1.084 1.00 0.86 H new ATOM 0 HG23 ILE A 124 3.644 11.030 -1.952 1.00 0.86 H new ATOM 0 HD11 ILE A 124 5.661 9.532 -5.156 1.00 2.69 H new ATOM 0 HD12 ILE A 124 4.256 8.572 -4.634 1.00 2.69 H new ATOM 0 HD13 ILE A 124 4.278 10.332 -4.370 1.00 2.69 H new ATOM 1426 N LEU A 125 4.245 8.051 1.197 1.00 0.60 N ATOM 1427 CA LEU A 125 3.522 7.830 2.453 1.00 0.50 C ATOM 1428 C LEU A 125 4.145 8.625 3.619 1.00 0.61 C ATOM 1429 O LEU A 125 3.423 9.148 4.464 1.00 0.61 O ATOM 1430 CB LEU A 125 3.528 6.315 2.749 1.00 0.38 C ATOM 1431 CG LEU A 125 2.438 5.848 3.729 1.00 0.36 C ATOM 1432 CD1 LEU A 125 1.046 5.907 3.095 1.00 0.53 C ATOM 1433 CD2 LEU A 125 2.681 4.391 4.121 1.00 0.43 C ATOM 0 H LEU A 125 4.573 7.189 0.761 1.00 0.60 H new ATOM 0 HA LEU A 125 2.498 8.188 2.350 1.00 0.50 H new ATOM 0 HB2 LEU A 125 3.409 5.775 1.810 1.00 0.38 H new ATOM 0 HB3 LEU A 125 4.503 6.041 3.153 1.00 0.38 H new ATOM 0 HG LEU A 125 2.483 6.512 4.592 1.00 0.36 H new ATOM 0 HD11 LEU A 125 0.303 5.570 3.817 1.00 0.53 H new ATOM 0 HD12 LEU A 125 0.825 6.932 2.798 1.00 0.53 H new ATOM 0 HD13 LEU A 125 1.018 5.261 2.217 1.00 0.53 H new ATOM 0 HD21 LEU A 125 1.906 4.067 4.815 1.00 0.43 H new ATOM 0 HD22 LEU A 125 2.655 3.765 3.229 1.00 0.43 H new ATOM 0 HD23 LEU A 125 3.656 4.301 4.599 1.00 0.43 H new ATOM 1445 N LEU A 126 5.471 8.794 3.608 1.00 0.74 N ATOM 1446 CA LEU A 126 6.244 9.551 4.604 1.00 0.91 C ATOM 1447 C LEU A 126 6.046 11.070 4.511 1.00 1.01 C ATOM 1448 O LEU A 126 6.335 11.798 5.462 1.00 1.23 O ATOM 1449 CB LEU A 126 7.740 9.170 4.479 1.00 0.96 C ATOM 1450 CG LEU A 126 8.319 8.352 5.646 1.00 1.04 C ATOM 1451 CD1 LEU A 126 8.422 9.178 6.926 1.00 0.92 C ATOM 1452 CD2 LEU A 126 7.487 7.107 5.942 1.00 1.37 C ATOM 0 H LEU A 126 6.060 8.393 2.878 1.00 0.74 H new ATOM 0 HA LEU A 126 5.869 9.275 5.590 1.00 0.91 H new ATOM 0 HB2 LEU A 126 7.876 8.602 3.559 1.00 0.96 H new ATOM 0 HB3 LEU A 126 8.322 10.086 4.377 1.00 0.96 H new ATOM 0 HG LEU A 126 9.317 8.052 5.326 1.00 1.04 H new ATOM 0 HD11 LEU A 126 8.836 8.562 7.724 1.00 0.92 H new ATOM 0 HD12 LEU A 126 9.073 10.035 6.755 1.00 0.92 H new ATOM 0 HD13 LEU A 126 7.431 9.528 7.214 1.00 0.92 H new ATOM 0 HD21 LEU A 126 7.933 6.560 6.773 1.00 1.37 H new ATOM 0 HD22 LEU A 126 6.471 7.402 6.205 1.00 1.37 H new ATOM 0 HD23 LEU A 126 7.462 6.468 5.059 1.00 1.37 H new ATOM 1464 N GLN A 127 5.533 11.556 3.387 1.00 0.98 N ATOM 1465 CA GLN A 127 5.051 12.918 3.222 1.00 1.07 C ATOM 1466 C GLN A 127 3.589 13.000 3.680 1.00 0.96 C ATOM 1467 O GLN A 127 3.239 13.730 4.608 1.00 0.96 O ATOM 1468 CB GLN A 127 5.193 13.300 1.741 1.00 1.15 C ATOM 1469 CG GLN A 127 6.511 12.848 1.080 1.00 1.22 C ATOM 1470 CD GLN A 127 7.767 13.139 1.903 1.00 1.31 C ATOM 1471 OE1 GLN A 127 8.035 14.266 2.308 1.00 1.48 O ATOM 1472 NE2 GLN A 127 8.542 12.116 2.206 1.00 1.24 N ATOM 0 H GLN A 127 5.439 10.994 2.541 1.00 0.98 H new ATOM 0 HA GLN A 127 5.631 13.614 3.828 1.00 1.07 H new ATOM 0 HB2 GLN A 127 4.359 12.869 1.188 1.00 1.15 H new ATOM 0 HB3 GLN A 127 5.110 14.383 1.650 1.00 1.15 H new ATOM 0 HG2 GLN A 127 6.458 11.776 0.889 1.00 1.22 H new ATOM 0 HG3 GLN A 127 6.604 13.340 0.112 1.00 1.22 H new ATOM 0 HE21 GLN A 127 8.311 11.183 1.865 1.00 1.24 H new ATOM 0 HE22 GLN A 127 9.372 12.258 2.781 1.00 1.24 H new ATOM 1481 N MET A 128 2.731 12.171 3.081 1.00 0.87 N ATOM 1482 CA MET A 128 1.281 12.269 3.201 1.00 0.80 C ATOM 1483 C MET A 128 0.745 11.936 4.593 1.00 0.74 C ATOM 1484 O MET A 128 -0.246 12.530 5.018 1.00 0.72 O ATOM 1485 CB MET A 128 0.666 11.308 2.191 1.00 0.75 C ATOM 1486 CG MET A 128 0.969 11.704 0.746 1.00 0.82 C ATOM 1487 SD MET A 128 0.032 10.750 -0.469 1.00 0.84 S ATOM 1488 CE MET A 128 -1.601 11.417 -0.096 1.00 0.79 C ATOM 0 H MET A 128 3.034 11.399 2.488 1.00 0.87 H new ATOM 0 HA MET A 128 1.009 13.308 3.013 1.00 0.80 H new ATOM 0 HB2 MET A 128 1.043 10.302 2.375 1.00 0.75 H new ATOM 0 HB3 MET A 128 -0.414 11.275 2.336 1.00 0.75 H new ATOM 0 HG2 MET A 128 0.749 12.763 0.613 1.00 0.82 H new ATOM 0 HG3 MET A 128 2.034 11.573 0.557 1.00 0.82 H new ATOM 0 HE1 MET A 128 -2.327 11.019 -0.805 1.00 0.79 H new ATOM 0 HE2 MET A 128 -1.888 11.132 0.916 1.00 0.79 H new ATOM 0 HE3 MET A 128 -1.576 12.504 -0.173 1.00 0.79 H new ATOM 1498 N HIS A 129 1.404 11.023 5.315 1.00 0.73 N ATOM 1499 CA HIS A 129 1.097 10.728 6.736 1.00 0.70 C ATOM 1500 C HIS A 129 1.158 11.992 7.582 1.00 0.77 C ATOM 1501 O HIS A 129 0.341 12.251 8.463 1.00 0.71 O ATOM 1502 CB HIS A 129 2.143 9.772 7.316 1.00 0.72 C ATOM 1503 CG HIS A 129 1.900 9.328 8.740 1.00 0.70 C ATOM 1504 ND1 HIS A 129 0.738 8.866 9.321 1.00 0.64 N ATOM 1505 CD2 HIS A 129 2.835 9.370 9.730 1.00 0.80 C ATOM 1506 CE1 HIS A 129 0.991 8.612 10.615 1.00 0.75 C ATOM 1507 NE2 HIS A 129 2.265 8.917 10.922 1.00 0.84 N ATOM 0 H HIS A 129 2.168 10.462 4.938 1.00 0.73 H new ATOM 0 HA HIS A 129 0.098 10.293 6.761 1.00 0.70 H new ATOM 0 HB2 HIS A 129 2.193 8.887 6.681 1.00 0.72 H new ATOM 0 HB3 HIS A 129 3.119 10.255 7.266 1.00 0.72 H new ATOM 0 HD2 HIS A 129 3.856 9.701 9.612 1.00 0.80 H new ATOM 0 HE1 HIS A 129 0.270 8.216 11.315 1.00 0.75 H new ATOM 0 HE2 HIS A 129 2.718 8.835 11.832 1.00 0.84 H new ATOM 1515 N GLN A 130 2.228 12.720 7.308 1.00 0.91 N ATOM 1516 CA GLN A 130 2.827 13.699 8.180 1.00 1.05 C ATOM 1517 C GLN A 130 2.280 15.105 7.860 1.00 1.08 C ATOM 1518 O GLN A 130 2.140 15.952 8.744 1.00 1.17 O ATOM 1519 CB GLN A 130 4.339 13.483 8.061 1.00 1.19 C ATOM 1520 CG GLN A 130 4.744 12.030 8.313 1.00 1.14 C ATOM 1521 CD GLN A 130 6.096 11.846 8.991 1.00 1.24 C ATOM 1522 OE1 GLN A 130 6.198 11.537 10.171 1.00 1.32 O ATOM 1523 NE2 GLN A 130 7.177 11.989 8.267 1.00 1.33 N ATOM 0 H GLN A 130 2.724 12.634 6.421 1.00 0.91 H new ATOM 0 HA GLN A 130 2.570 13.591 9.234 1.00 1.05 H new ATOM 0 HB2 GLN A 130 4.668 13.781 7.066 1.00 1.19 H new ATOM 0 HB3 GLN A 130 4.852 14.129 8.773 1.00 1.19 H new ATOM 0 HG2 GLN A 130 3.979 11.557 8.928 1.00 1.14 H new ATOM 0 HG3 GLN A 130 4.758 11.502 7.360 1.00 1.14 H new ATOM 0 HE21 GLN A 130 7.101 12.246 7.283 1.00 1.33 H new ATOM 0 HE22 GLN A 130 8.095 11.843 8.687 1.00 1.33 H new ATOM 1532 N ASN A 131 1.856 15.316 6.609 1.00 1.03 N ATOM 1533 CA ASN A 131 0.966 16.377 6.168 1.00 1.03 C ATOM 1534 C ASN A 131 -0.522 16.114 6.510 1.00 0.92 C ATOM 1535 O ASN A 131 -1.254 17.063 6.787 1.00 1.00 O ATOM 1536 CB ASN A 131 1.214 16.499 4.674 1.00 1.08 C ATOM 1537 CG ASN A 131 0.432 17.625 4.057 1.00 1.22 C ATOM 1538 OD1 ASN A 131 0.214 18.677 4.638 1.00 2.29 O ATOM 1539 ND2 ASN A 131 -0.046 17.414 2.869 1.00 1.32 N ATOM 0 H ASN A 131 2.146 14.712 5.839 1.00 1.03 H new ATOM 0 HA ASN A 131 1.176 17.310 6.691 1.00 1.03 H new ATOM 0 HB2 ASN A 131 2.278 16.658 4.496 1.00 1.08 H new ATOM 0 HB3 ASN A 131 0.945 15.562 4.185 1.00 1.08 H new ATOM 0 HD21 ASN A 131 -0.610 18.130 2.411 1.00 1.32 H new ATOM 0 HD22 ASN A 131 0.142 16.532 2.393 1.00 1.32 H new ATOM 1546 N GLY A 132 -0.973 14.849 6.535 1.00 0.82 N ATOM 1547 CA GLY A 132 -2.329 14.461 6.960 1.00 0.72 C ATOM 1548 C GLY A 132 -3.304 14.249 5.798 1.00 0.64 C ATOM 1549 O GLY A 132 -4.507 14.101 6.003 1.00 0.58 O ATOM 0 H GLY A 132 -0.397 14.055 6.256 1.00 0.82 H new ATOM 0 HA2 GLY A 132 -2.268 13.542 7.543 1.00 0.72 H new ATOM 0 HA3 GLY A 132 -2.727 15.232 7.620 1.00 0.72 H new ATOM 1553 N ASP A 133 -2.795 14.166 4.572 1.00 0.68 N ATOM 1554 CA ASP A 133 -3.573 13.942 3.350 1.00 0.69 C ATOM 1555 C ASP A 133 -4.094 12.500 3.245 1.00 0.64 C ATOM 1556 O ASP A 133 -5.006 12.223 2.462 1.00 0.70 O ATOM 1557 CB ASP A 133 -2.676 14.290 2.150 1.00 0.79 C ATOM 1558 CG ASP A 133 -3.299 15.363 1.261 1.00 1.25 C ATOM 1559 OD1 ASP A 133 -4.239 15.040 0.497 1.00 2.59 O ATOM 1560 OD2 ASP A 133 -2.896 16.545 1.354 1.00 1.48 O ATOM 0 H ASP A 133 -1.795 14.256 4.392 1.00 0.68 H new ATOM 0 HA ASP A 133 -4.457 14.580 3.367 1.00 0.69 H new ATOM 0 HB2 ASP A 133 -1.707 14.636 2.510 1.00 0.79 H new ATOM 0 HB3 ASP A 133 -2.495 13.391 1.560 1.00 0.79 H new ATOM 1565 N LEU A 134 -3.565 11.583 4.070 1.00 0.56 N ATOM 1566 CA LEU A 134 -4.054 10.200 4.135 1.00 0.49 C ATOM 1567 C LEU A 134 -5.390 10.136 4.874 1.00 0.43 C ATOM 1568 O LEU A 134 -6.182 9.226 4.688 1.00 0.41 O ATOM 1569 CB LEU A 134 -3.063 9.288 4.887 1.00 0.47 C ATOM 1570 CG LEU A 134 -1.655 9.183 4.293 1.00 0.54 C ATOM 1571 CD1 LEU A 134 -0.825 8.183 5.096 1.00 0.53 C ATOM 1572 CD2 LEU A 134 -1.665 8.749 2.832 1.00 0.59 C ATOM 0 H LEU A 134 -2.792 11.779 4.706 1.00 0.56 H new ATOM 0 HA LEU A 134 -4.166 9.857 3.106 1.00 0.49 H new ATOM 0 HB2 LEU A 134 -2.976 9.648 5.912 1.00 0.47 H new ATOM 0 HB3 LEU A 134 -3.489 8.286 4.936 1.00 0.47 H new ATOM 0 HG LEU A 134 -1.217 10.180 4.345 1.00 0.54 H new ATOM 0 HD11 LEU A 134 0.175 8.113 4.668 1.00 0.53 H new ATOM 0 HD12 LEU A 134 -0.754 8.517 6.131 1.00 0.53 H new ATOM 0 HD13 LEU A 134 -1.303 7.204 5.063 1.00 0.53 H new ATOM 0 HD21 LEU A 134 -0.641 8.691 2.463 1.00 0.59 H new ATOM 0 HD22 LEU A 134 -2.137 7.770 2.746 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -2.224 9.475 2.241 1.00 0.59 H new ATOM 1584 N VAL A 135 -5.613 11.110 5.748 1.00 0.44 N ATOM 1585 CA VAL A 135 -6.681 11.146 6.742 1.00 0.39 C ATOM 1586 C VAL A 135 -7.999 11.517 6.070 1.00 0.45 C ATOM 1587 O VAL A 135 -9.033 10.929 6.373 1.00 0.52 O ATOM 1588 CB VAL A 135 -6.268 12.155 7.818 1.00 0.42 C ATOM 1589 CG1 VAL A 135 -7.107 12.038 9.066 1.00 0.50 C ATOM 1590 CG2 VAL A 135 -4.868 11.811 8.326 1.00 0.46 C ATOM 0 H VAL A 135 -5.022 11.941 5.785 1.00 0.44 H new ATOM 0 HA VAL A 135 -6.833 10.172 7.207 1.00 0.39 H new ATOM 0 HB VAL A 135 -6.360 13.136 7.351 1.00 0.42 H new ATOM 0 HG11 VAL A 135 -6.775 12.774 9.798 1.00 0.50 H new ATOM 0 HG12 VAL A 135 -8.153 12.218 8.819 1.00 0.50 H new ATOM 0 HG13 VAL A 135 -7.000 11.037 9.484 1.00 0.50 H new ATOM 0 HG21 VAL A 135 -4.572 12.528 9.092 1.00 0.46 H new ATOM 0 HG22 VAL A 135 -4.872 10.807 8.751 1.00 0.46 H new ATOM 0 HG23 VAL A 135 -4.160 11.852 7.498 1.00 0.46 H new ATOM 1600 N GLU A 136 -7.932 12.414 5.081 1.00 0.52 N ATOM 1601 CA GLU A 136 -9.023 12.732 4.156 1.00 0.64 C ATOM 1602 C GLU A 136 -9.292 11.556 3.222 1.00 0.65 C ATOM 1603 O GLU A 136 -10.426 11.109 3.082 1.00 0.89 O ATOM 1604 CB GLU A 136 -8.643 13.971 3.330 1.00 0.83 C ATOM 1605 CG GLU A 136 -8.406 15.210 4.196 1.00 1.33 C ATOM 1606 CD GLU A 136 -9.640 15.571 5.035 1.00 1.80 C ATOM 1607 OE1 GLU A 136 -10.732 15.770 4.445 1.00 2.69 O ATOM 1608 OE2 GLU A 136 -9.525 15.611 6.283 1.00 2.46 O ATOM 0 H GLU A 136 -7.088 12.957 4.897 1.00 0.52 H new ATOM 0 HA GLU A 136 -9.927 12.933 4.731 1.00 0.64 H new ATOM 0 HB2 GLU A 136 -7.742 13.757 2.756 1.00 0.83 H new ATOM 0 HB3 GLU A 136 -9.436 14.181 2.612 1.00 0.83 H new ATOM 0 HG2 GLU A 136 -7.558 15.033 4.857 1.00 1.33 H new ATOM 0 HG3 GLU A 136 -8.142 16.053 3.558 1.00 1.33 H new ATOM 1615 N GLU A 137 -8.227 10.989 2.654 1.00 0.55 N ATOM 1616 CA GLU A 137 -8.321 9.807 1.790 1.00 0.55 C ATOM 1617 C GLU A 137 -8.977 8.607 2.511 1.00 0.47 C ATOM 1618 O GLU A 137 -9.771 7.891 1.897 1.00 0.56 O ATOM 1619 CB GLU A 137 -6.920 9.474 1.246 1.00 0.58 C ATOM 1620 CG GLU A 137 -6.921 8.623 -0.036 1.00 0.88 C ATOM 1621 CD GLU A 137 -7.372 9.409 -1.277 1.00 0.86 C ATOM 1622 OE1 GLU A 137 -8.594 9.643 -1.446 1.00 1.88 O ATOM 1623 OE2 GLU A 137 -6.524 9.777 -2.125 1.00 1.38 O ATOM 0 H GLU A 137 -7.275 11.334 2.778 1.00 0.55 H new ATOM 0 HA GLU A 137 -8.979 10.031 0.950 1.00 0.55 H new ATOM 0 HB2 GLU A 137 -6.389 10.406 1.049 1.00 0.58 H new ATOM 0 HB3 GLU A 137 -6.360 8.946 2.018 1.00 0.58 H new ATOM 0 HG2 GLU A 137 -5.918 8.230 -0.206 1.00 0.88 H new ATOM 0 HG3 GLU A 137 -7.580 7.766 0.104 1.00 0.88 H new ATOM 1630 N LEU A 138 -8.735 8.444 3.820 1.00 0.42 N ATOM 1631 CA LEU A 138 -9.405 7.469 4.689 1.00 0.42 C ATOM 1632 C LEU A 138 -10.871 7.841 4.984 1.00 0.54 C ATOM 1633 O LEU A 138 -11.737 6.974 4.843 1.00 0.57 O ATOM 1634 CB LEU A 138 -8.590 7.305 5.990 1.00 0.37 C ATOM 1635 CG LEU A 138 -7.309 6.455 5.860 1.00 0.36 C ATOM 1636 CD1 LEU A 138 -6.474 6.589 7.136 1.00 0.42 C ATOM 1637 CD2 LEU A 138 -7.607 4.969 5.651 1.00 0.39 C ATOM 0 H LEU A 138 -8.045 9.006 4.318 1.00 0.42 H new ATOM 0 HA LEU A 138 -9.444 6.516 4.162 1.00 0.42 H new ATOM 0 HB2 LEU A 138 -8.315 8.295 6.355 1.00 0.37 H new ATOM 0 HB3 LEU A 138 -9.231 6.853 6.747 1.00 0.37 H new ATOM 0 HG LEU A 138 -6.773 6.827 4.987 1.00 0.36 H new ATOM 0 HD11 LEU A 138 -5.569 5.988 7.044 1.00 0.42 H new ATOM 0 HD12 LEU A 138 -6.202 7.634 7.285 1.00 0.42 H new ATOM 0 HD13 LEU A 138 -7.055 6.240 7.990 1.00 0.42 H new ATOM 0 HD21 LEU A 138 -6.670 4.418 5.566 1.00 0.39 H new ATOM 0 HD22 LEU A 138 -8.175 4.589 6.500 1.00 0.39 H new ATOM 0 HD23 LEU A 138 -8.188 4.839 4.738 1.00 0.39 H new ATOM 1649 N LYS A 139 -11.188 9.110 5.300 1.00 0.65 N ATOM 1650 CA LYS A 139 -12.582 9.595 5.470 1.00 0.80 C ATOM 1651 C LYS A 139 -13.418 9.338 4.204 1.00 0.88 C ATOM 1652 O LYS A 139 -14.578 8.931 4.279 1.00 0.99 O ATOM 1653 CB LYS A 139 -12.593 11.103 5.810 1.00 0.86 C ATOM 1654 CG LYS A 139 -12.087 11.461 7.219 1.00 0.84 C ATOM 1655 CD LYS A 139 -11.755 12.960 7.332 1.00 0.64 C ATOM 1656 CE LYS A 139 -10.860 13.282 8.538 1.00 0.66 C ATOM 1657 NZ LYS A 139 -10.653 14.749 8.658 1.00 0.80 N ATOM 0 H LYS A 139 -10.486 9.835 5.446 1.00 0.65 H new ATOM 0 HA LYS A 139 -13.028 9.040 6.295 1.00 0.80 H new ATOM 0 HB2 LYS A 139 -11.981 11.629 5.077 1.00 0.86 H new ATOM 0 HB3 LYS A 139 -13.611 11.476 5.701 1.00 0.86 H new ATOM 0 HG2 LYS A 139 -12.845 11.198 7.957 1.00 0.84 H new ATOM 0 HG3 LYS A 139 -11.199 10.872 7.449 1.00 0.84 H new ATOM 0 HD2 LYS A 139 -11.258 13.287 6.419 1.00 0.64 H new ATOM 0 HD3 LYS A 139 -12.682 13.528 7.411 1.00 0.64 H new ATOM 0 HE2 LYS A 139 -11.317 12.898 9.450 1.00 0.66 H new ATOM 0 HE3 LYS A 139 -9.898 12.781 8.428 1.00 0.66 H new ATOM 0 HZ1 LYS A 139 -10.005 14.945 9.447 1.00 0.80 H new ATOM 0 HZ2 LYS A 139 -10.244 15.115 7.775 1.00 0.80 H new ATOM 0 HZ3 LYS A 139 -11.566 15.215 8.836 1.00 0.80 H new ATOM 1671 N LYS A 140 -12.807 9.457 3.024 1.00 0.87 N ATOM 1672 CA LYS A 140 -13.402 9.160 1.711 1.00 0.89 C ATOM 1673 C LYS A 140 -13.547 7.657 1.412 1.00 0.79 C ATOM 1674 O LYS A 140 -14.335 7.303 0.540 1.00 0.96 O ATOM 1675 CB LYS A 140 -12.575 9.890 0.646 1.00 1.12 C ATOM 1676 CG LYS A 140 -12.693 11.424 0.756 1.00 1.68 C ATOM 1677 CD LYS A 140 -11.507 12.121 0.080 1.00 2.12 C ATOM 1678 CE LYS A 140 -11.482 11.871 -1.426 1.00 1.89 C ATOM 1679 NZ LYS A 140 -10.111 11.957 -1.967 1.00 1.91 N ATOM 0 H LYS A 140 -11.841 9.777 2.949 1.00 0.87 H new ATOM 0 HA LYS A 140 -14.430 9.521 1.707 1.00 0.89 H new ATOM 0 HB2 LYS A 140 -11.528 9.601 0.742 1.00 1.12 H new ATOM 0 HB3 LYS A 140 -12.903 9.574 -0.344 1.00 1.12 H new ATOM 0 HG2 LYS A 140 -13.624 11.754 0.294 1.00 1.68 H new ATOM 0 HG3 LYS A 140 -12.738 11.714 1.806 1.00 1.68 H new ATOM 0 HD2 LYS A 140 -11.560 13.193 0.269 1.00 2.12 H new ATOM 0 HD3 LYS A 140 -10.577 11.765 0.522 1.00 2.12 H new ATOM 0 HE2 LYS A 140 -11.897 10.886 -1.639 1.00 1.89 H new ATOM 0 HE3 LYS A 140 -12.118 12.600 -1.927 1.00 1.89 H new ATOM 0 HZ1 LYS A 140 -10.149 11.986 -3.006 1.00 1.91 H new ATOM 0 HZ2 LYS A 140 -9.652 12.820 -1.613 1.00 1.91 H new ATOM 0 HZ3 LYS A 140 -9.565 11.125 -1.664 1.00 1.91 H new ATOM 1693 N LEU A 141 -12.890 6.769 2.168 1.00 0.77 N ATOM 1694 CA LEU A 141 -13.226 5.338 2.254 1.00 0.81 C ATOM 1695 C LEU A 141 -14.296 5.034 3.328 1.00 0.80 C ATOM 1696 O LEU A 141 -14.778 3.902 3.414 1.00 0.90 O ATOM 1697 CB LEU A 141 -11.943 4.523 2.536 1.00 0.84 C ATOM 1698 CG LEU A 141 -11.259 3.829 1.345 1.00 0.88 C ATOM 1699 CD1 LEU A 141 -12.177 2.872 0.582 1.00 1.17 C ATOM 1700 CD2 LEU A 141 -10.654 4.840 0.384 1.00 1.42 C ATOM 0 H LEU A 141 -12.093 7.028 2.750 1.00 0.77 H new ATOM 0 HA LEU A 141 -13.655 5.047 1.295 1.00 0.81 H new ATOM 0 HB2 LEU A 141 -11.216 5.191 2.997 1.00 0.84 H new ATOM 0 HB3 LEU A 141 -12.187 3.759 3.274 1.00 0.84 H new ATOM 0 HG LEU A 141 -10.464 3.226 1.784 1.00 0.88 H new ATOM 0 HD11 LEU A 141 -11.627 2.420 -0.243 1.00 1.17 H new ATOM 0 HD12 LEU A 141 -12.528 2.090 1.255 1.00 1.17 H new ATOM 0 HD13 LEU A 141 -13.032 3.423 0.189 1.00 1.17 H new ATOM 0 HD21 LEU A 141 -10.179 4.315 -0.445 1.00 1.42 H new ATOM 0 HD22 LEU A 141 -11.439 5.491 -0.001 1.00 1.42 H new ATOM 0 HD23 LEU A 141 -9.909 5.440 0.908 1.00 1.42 H new ATOM 1712 N GLY A 142 -14.640 6.014 4.169 1.00 0.77 N ATOM 1713 CA GLY A 142 -15.471 5.857 5.366 1.00 0.82 C ATOM 1714 C GLY A 142 -14.709 5.399 6.616 1.00 0.75 C ATOM 1715 O GLY A 142 -15.342 5.095 7.633 1.00 0.92 O ATOM 0 H GLY A 142 -14.335 6.977 4.029 1.00 0.77 H new ATOM 0 HA2 GLY A 142 -15.958 6.808 5.581 1.00 0.82 H new ATOM 0 HA3 GLY A 142 -16.260 5.136 5.153 1.00 0.82 H new ATOM 1719 N ILE A 143 -13.373 5.326 6.552 1.00 0.61 N ATOM 1720 CA ILE A 143 -12.500 4.962 7.671 1.00 0.59 C ATOM 1721 C ILE A 143 -12.147 6.189 8.518 1.00 0.47 C ATOM 1722 O ILE A 143 -11.749 7.248 8.023 1.00 0.41 O ATOM 1723 CB ILE A 143 -11.212 4.239 7.210 1.00 0.66 C ATOM 1724 CG1 ILE A 143 -11.515 2.999 6.335 1.00 0.82 C ATOM 1725 CG2 ILE A 143 -10.425 3.850 8.481 1.00 0.76 C ATOM 1726 CD1 ILE A 143 -10.285 2.348 5.668 1.00 0.92 C ATOM 0 H ILE A 143 -12.857 5.525 5.695 1.00 0.61 H new ATOM 0 HA ILE A 143 -13.064 4.260 8.285 1.00 0.59 H new ATOM 0 HB ILE A 143 -10.623 4.904 6.579 1.00 0.66 H new ATOM 0 HG12 ILE A 143 -12.011 2.251 6.953 1.00 0.82 H new ATOM 0 HG13 ILE A 143 -12.220 3.288 5.556 1.00 0.82 H new ATOM 0 HG21 ILE A 143 -9.507 3.336 8.197 1.00 0.76 H new ATOM 0 HG22 ILE A 143 -10.178 4.749 9.045 1.00 0.76 H new ATOM 0 HG23 ILE A 143 -11.034 3.190 9.098 1.00 0.76 H new ATOM 0 HD11 ILE A 143 -10.603 1.489 5.078 1.00 0.92 H new ATOM 0 HD12 ILE A 143 -9.797 3.074 5.018 1.00 0.92 H new ATOM 0 HD13 ILE A 143 -9.585 2.021 6.437 1.00 0.92 H new ATOM 1738 N HIS A 144 -12.196 5.982 9.827 1.00 0.55 N ATOM 1739 CA HIS A 144 -11.795 6.924 10.857 1.00 0.58 C ATOM 1740 C HIS A 144 -10.340 6.692 11.269 1.00 0.65 C ATOM 1741 O HIS A 144 -10.020 5.678 11.889 1.00 0.82 O ATOM 1742 CB HIS A 144 -12.752 6.686 12.019 1.00 0.76 C ATOM 1743 CG HIS A 144 -12.754 7.748 13.091 1.00 0.97 C ATOM 1744 ND1 HIS A 144 -13.019 9.091 12.931 1.00 1.39 N ATOM 1745 CD2 HIS A 144 -12.539 7.540 14.426 1.00 1.22 C ATOM 1746 CE1 HIS A 144 -12.967 9.674 14.139 1.00 1.53 C ATOM 1747 NE2 HIS A 144 -12.666 8.770 15.090 1.00 1.40 N ATOM 0 H HIS A 144 -12.536 5.103 10.218 1.00 0.55 H new ATOM 0 HA HIS A 144 -11.846 7.956 10.509 1.00 0.58 H new ATOM 0 HB2 HIS A 144 -13.763 6.595 11.621 1.00 0.76 H new ATOM 0 HB3 HIS A 144 -12.504 5.730 12.480 1.00 0.76 H new ATOM 0 HD2 HIS A 144 -12.311 6.592 14.890 1.00 1.22 H new ATOM 0 HE1 HIS A 144 -13.142 10.724 14.323 1.00 1.53 H new ATOM 0 HE2 HIS A 144 -12.553 8.943 16.089 1.00 1.40 H new ATOM 1755 N SER A 145 -9.447 7.630 10.960 1.00 0.58 N ATOM 1756 CA SER A 145 -8.089 7.617 11.492 1.00 0.57 C ATOM 1757 C SER A 145 -8.123 7.623 13.026 1.00 0.60 C ATOM 1758 O SER A 145 -8.665 8.522 13.649 1.00 0.71 O ATOM 1759 CB SER A 145 -7.331 8.824 10.924 1.00 0.56 C ATOM 1760 OG SER A 145 -6.237 9.179 11.752 1.00 0.55 O ATOM 0 H SER A 145 -9.644 8.414 10.338 1.00 0.58 H new ATOM 0 HA SER A 145 -7.567 6.709 11.191 1.00 0.57 H new ATOM 0 HB2 SER A 145 -6.971 8.592 9.922 1.00 0.56 H new ATOM 0 HB3 SER A 145 -8.010 9.672 10.831 1.00 0.56 H new ATOM 0 HG SER A 145 -5.486 8.573 11.580 1.00 0.55 H new ATOM 1766 N ALA A 146 -7.511 6.636 13.663 1.00 0.54 N ATOM 1767 CA ALA A 146 -7.402 6.492 15.118 1.00 0.55 C ATOM 1768 C ALA A 146 -6.627 7.642 15.807 1.00 0.59 C ATOM 1769 O ALA A 146 -6.637 7.765 17.034 1.00 0.76 O ATOM 1770 CB ALA A 146 -6.794 5.119 15.414 1.00 0.51 C ATOM 0 H ALA A 146 -7.053 5.875 13.161 1.00 0.54 H new ATOM 0 HA ALA A 146 -8.401 6.560 15.548 1.00 0.55 H new ATOM 0 HB1 ALA A 146 -6.702 4.987 16.492 1.00 0.51 H new ATOM 0 HB2 ALA A 146 -7.438 4.340 15.006 1.00 0.51 H new ATOM 0 HB3 ALA A 146 -5.808 5.051 14.955 1.00 0.51 H new ATOM 1776 N LEU A 147 -5.983 8.521 15.028 1.00 0.55 N ATOM 1777 CA LEU A 147 -5.302 9.725 15.461 1.00 0.60 C ATOM 1778 C LEU A 147 -6.248 10.934 15.604 1.00 0.69 C ATOM 1779 O LEU A 147 -5.847 11.962 16.150 1.00 0.83 O ATOM 1780 CB LEU A 147 -4.201 9.978 14.424 1.00 0.55 C ATOM 1781 CG LEU A 147 -3.236 8.821 14.102 1.00 0.52 C ATOM 1782 CD1 LEU A 147 -2.027 9.337 13.324 1.00 0.54 C ATOM 1783 CD2 LEU A 147 -2.741 8.127 15.361 1.00 0.55 C ATOM 0 H LEU A 147 -5.926 8.392 14.018 1.00 0.55 H new ATOM 0 HA LEU A 147 -4.888 9.591 16.460 1.00 0.60 H new ATOM 0 HB2 LEU A 147 -4.681 10.282 13.494 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -3.606 10.824 14.767 1.00 0.55 H new ATOM 0 HG LEU A 147 -3.794 8.102 13.502 1.00 0.52 H new ATOM 0 HD11 LEU A 147 -1.355 8.508 13.104 1.00 0.54 H new ATOM 0 HD12 LEU A 147 -2.361 9.790 12.391 1.00 0.54 H new ATOM 0 HD13 LEU A 147 -1.501 10.082 13.921 1.00 0.54 H new ATOM 0 HD21 LEU A 147 -2.063 7.318 15.088 1.00 0.55 H new ATOM 0 HD22 LEU A 147 -2.214 8.845 15.989 1.00 0.55 H new ATOM 0 HD23 LEU A 147 -3.590 7.720 15.910 1.00 0.55 H new ATOM 1795 N LEU A 148 -7.502 10.825 15.144 1.00 0.69 N ATOM 1796 CA LEU A 148 -8.583 11.816 15.308 1.00 0.82 C ATOM 1797 C LEU A 148 -8.936 12.096 16.777 1.00 0.97 C ATOM 1798 O LEU A 148 -9.460 13.164 17.097 1.00 1.25 O ATOM 1799 CB LEU A 148 -9.821 11.316 14.558 1.00 0.80 C ATOM 1800 CG LEU A 148 -9.979 11.842 13.124 1.00 0.97 C ATOM 1801 CD1 LEU A 148 -10.791 13.135 13.094 1.00 2.84 C ATOM 1802 CD2 LEU A 148 -8.692 12.056 12.332 1.00 3.00 C ATOM 0 H LEU A 148 -7.809 10.004 14.621 1.00 0.69 H new ATOM 0 HA LEU A 148 -8.229 12.761 14.897 1.00 0.82 H new ATOM 0 HB2 LEU A 148 -9.790 10.227 14.526 1.00 0.80 H new ATOM 0 HB3 LEU A 148 -10.707 11.594 15.129 1.00 0.80 H new ATOM 0 HG LEU A 148 -10.503 11.027 12.624 1.00 0.97 H new ATOM 0 HD11 LEU A 148 -10.885 13.482 12.065 1.00 2.84 H new ATOM 0 HD12 LEU A 148 -11.783 12.951 13.507 1.00 2.84 H new ATOM 0 HD13 LEU A 148 -10.285 13.896 13.689 1.00 2.84 H new ATOM 0 HD21 LEU A 148 -8.935 12.428 11.337 1.00 3.00 H new ATOM 0 HD22 LEU A 148 -8.064 12.782 12.848 1.00 3.00 H new ATOM 0 HD23 LEU A 148 -8.157 11.110 12.245 1.00 3.00 H new ATOM 1814 N ASP A 149 -8.603 11.172 17.680 1.00 1.08 N ATOM 1815 CA ASP A 149 -8.727 11.308 19.137 1.00 1.56 C ATOM 1816 C ASP A 149 -7.642 12.209 19.769 1.00 1.83 C ATOM 1817 O ASP A 149 -7.233 12.033 20.919 1.00 2.30 O ATOM 1818 CB ASP A 149 -8.785 9.904 19.748 1.00 2.31 C ATOM 1819 CG ASP A 149 -9.287 9.901 21.194 1.00 3.09 C ATOM 1820 OD1 ASP A 149 -10.213 10.689 21.510 1.00 3.04 O ATOM 1821 OD2 ASP A 149 -8.773 9.085 22.003 1.00 4.18 O ATOM 0 H ASP A 149 -8.222 10.266 17.406 1.00 1.08 H new ATOM 0 HA ASP A 149 -9.653 11.835 19.365 1.00 1.56 H new ATOM 0 HB2 ASP A 149 -9.438 9.276 19.141 1.00 2.31 H new ATOM 0 HB3 ASP A 149 -7.791 9.457 19.713 1.00 2.31 H new ATOM 1826 N GLU A 150 -7.136 13.169 18.998 1.00 2.01 N ATOM 1827 CA GLU A 150 -6.228 14.259 19.403 1.00 2.90 C ATOM 1828 C GLU A 150 -6.906 15.266 20.344 1.00 3.08 C ATOM 1829 O GLU A 150 -6.393 15.479 21.464 1.00 3.49 O ATOM 1830 CB GLU A 150 -5.693 14.938 18.129 1.00 4.09 C ATOM 1831 CG GLU A 150 -4.248 15.433 18.252 1.00 4.93 C ATOM 1832 CD GLU A 150 -3.841 16.229 17.001 1.00 6.60 C ATOM 1833 OE1 GLU A 150 -4.546 17.214 16.657 1.00 8.21 O ATOM 1834 OE2 GLU A 150 -2.797 15.916 16.372 1.00 6.76 O ATOM 0 H GLU A 150 -7.360 13.216 18.004 1.00 2.01 H new ATOM 0 HA GLU A 150 -5.399 13.841 19.975 1.00 2.90 H new ATOM 0 HB2 GLU A 150 -5.757 14.234 17.299 1.00 4.09 H new ATOM 0 HB3 GLU A 150 -6.336 15.782 17.881 1.00 4.09 H new ATOM 0 HG2 GLU A 150 -4.147 16.060 19.138 1.00 4.93 H new ATOM 0 HG3 GLU A 150 -3.577 14.584 18.384 1.00 4.93 H new TER 1841 GLU A 150