USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 813 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 GLN : amide:sc= -0.0373 K(o=-1.3,f=-2.8) USER MOD Set 1.2: A 99 GLN : amide:sc= -1.25 X(o=-1.3,f=-1) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.222 K(o=-0.22,f=-1.5) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -150:sc= 0.325 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= -2.33! USER MOD Single : A 49 HIS : no HE2:sc= -1.55 K(o=-1.6,f=-2.2) USER MOD Single : A 51 THR OG1 : rot 122:sc= 0.791 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= -1.02 (180deg=-1.23) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= -0.0298 (180deg=-0.277) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= -0.0207 (180deg=-0.236) USER MOD Single : A 61 THR OG1 : rot 74:sc= 0.207 USER MOD Single : A 64 HIS : no HD1:sc= -3.63 K(o=-3.6,f=-4.7!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -60:sc= 0.235 USER MOD Single : A 71 GLN : amide:sc= -1.1 K(o=-1.1,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.0626 K(o=-0.063,f=-0.64) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.627 K(o=-0.63,f=-1.9!) USER MOD Single : A 88 ASN : amide:sc= -0.067 X(o=-0.067,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.0634 X(o=-0.063,f=-0.0064) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.14) USER MOD Single : A 96 GLN : amide:sc= -1.35 K(o=-1.4,f=-4.3!) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.3) USER MOD Single : A 102 GLN : amide:sc= -1.16! K(o=-1.2!,f=-0.63) USER MOD Single : A 103 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.9) USER MOD Single : A 104 ASN : amide:sc= -0.982 K(o=-0.98,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 9 -26.228 13.508 -2.208 1.00 7.00 N ATOM 2 CA GLN A 9 -25.089 12.626 -1.987 1.00 7.21 C ATOM 3 C GLN A 9 -24.182 12.591 -3.212 1.00 6.98 C ATOM 4 O GLN A 9 -22.984 12.860 -3.118 1.00 7.29 O ATOM 5 CB GLN A 9 -25.569 11.212 -1.654 1.00 7.46 C ATOM 6 CG GLN A 9 -26.440 11.143 -0.410 1.00 7.40 C ATOM 7 CD GLN A 9 -26.910 9.735 -0.103 1.00 7.57 C ATOM 8 OE1 GLN A 9 -26.224 8.758 -0.410 1.00 8.02 O ATOM 9 NE2 GLN A 9 -28.084 9.621 0.505 1.00 7.46 N ATOM 0 HA GLN A 9 -24.518 13.017 -1.145 1.00 7.21 H new ATOM 0 HB2 GLN A 9 -26.129 10.818 -2.502 1.00 7.46 H new ATOM 0 HB3 GLN A 9 -24.702 10.566 -1.517 1.00 7.46 H new ATOM 0 HG2 GLN A 9 -25.881 11.529 0.442 1.00 7.40 H new ATOM 0 HG3 GLN A 9 -27.307 11.790 -0.542 1.00 7.40 H new ATOM 0 HE21 GLN A 9 -28.619 10.457 0.741 1.00 7.46 H new ATOM 0 HE22 GLN A 9 -28.451 8.698 0.736 1.00 7.46 H new ATOM 18 N ARG A 10 -24.764 12.253 -4.362 1.00 6.71 N ATOM 19 CA ARG A 10 -24.018 12.181 -5.615 1.00 6.78 C ATOM 20 C ARG A 10 -22.874 11.176 -5.514 1.00 6.34 C ATOM 21 O ARG A 10 -21.946 11.195 -6.323 1.00 6.64 O ATOM 22 CB ARG A 10 -23.468 13.562 -5.987 1.00 7.66 C ATOM 23 CG ARG A 10 -24.529 14.652 -6.033 1.00 7.90 C ATOM 24 CD ARG A 10 -25.575 14.372 -7.101 1.00 8.77 C ATOM 25 NE ARG A 10 -26.598 15.415 -7.149 1.00 9.23 N ATOM 26 CZ ARG A 10 -27.798 15.248 -7.696 1.00 10.13 C ATOM 27 NH1 ARG A 10 -28.128 14.082 -8.236 1.00 10.64 N ATOM 28 NH2 ARG A 10 -28.671 16.245 -7.700 1.00 10.69 N ATOM 0 H ARG A 10 -25.754 12.024 -4.450 1.00 6.71 H new ATOM 0 HA ARG A 10 -24.702 11.847 -6.395 1.00 6.78 H new ATOM 0 HB2 ARG A 10 -22.701 13.844 -5.265 1.00 7.66 H new ATOM 0 HB3 ARG A 10 -22.982 13.499 -6.961 1.00 7.66 H new ATOM 0 HG2 ARG A 10 -25.014 14.730 -5.060 1.00 7.90 H new ATOM 0 HG3 ARG A 10 -24.055 15.613 -6.231 1.00 7.90 H new ATOM 0 HD2 ARG A 10 -25.089 14.295 -8.074 1.00 8.77 H new ATOM 0 HD3 ARG A 10 -26.047 13.410 -6.903 1.00 8.77 H new ATOM 0 HE ARG A 10 -26.379 16.323 -6.739 1.00 9.23 H new ATOM 0 HH11 ARG A 10 -27.460 13.311 -8.232 1.00 10.64 H new ATOM 0 HH12 ARG A 10 -29.049 13.957 -8.655 1.00 10.64 H new ATOM 0 HH21 ARG A 10 -28.423 17.142 -7.283 1.00 10.69 H new ATOM 0 HH22 ARG A 10 -29.591 16.115 -8.120 1.00 10.69 H new ATOM 42 N ARG A 11 -22.950 10.296 -4.521 1.00 5.84 N ATOM 43 CA ARG A 11 -21.921 9.283 -4.316 1.00 5.60 C ATOM 44 C ARG A 11 -22.462 7.887 -4.607 1.00 5.02 C ATOM 45 O ARG A 11 -23.580 7.550 -4.216 1.00 4.82 O ATOM 46 CB ARG A 11 -21.392 9.347 -2.879 1.00 5.75 C ATOM 47 CG ARG A 11 -20.290 8.341 -2.589 1.00 5.86 C ATOM 48 CD ARG A 11 -19.811 8.439 -1.151 1.00 6.54 C ATOM 49 NE ARG A 11 -18.763 7.465 -0.855 1.00 6.72 N ATOM 50 CZ ARG A 11 -18.200 7.328 0.342 1.00 7.51 C ATOM 51 NH1 ARG A 11 -18.582 8.098 1.352 1.00 8.17 N ATOM 52 NH2 ARG A 11 -17.253 6.418 0.530 1.00 7.81 N ATOM 0 H ARG A 11 -23.714 10.264 -3.846 1.00 5.84 H new ATOM 0 HA ARG A 11 -21.104 9.487 -5.008 1.00 5.60 H new ATOM 0 HB2 ARG A 11 -21.016 10.351 -2.684 1.00 5.75 H new ATOM 0 HB3 ARG A 11 -22.218 9.177 -2.189 1.00 5.75 H new ATOM 0 HG2 ARG A 11 -20.656 7.333 -2.784 1.00 5.86 H new ATOM 0 HG3 ARG A 11 -19.452 8.512 -3.265 1.00 5.86 H new ATOM 0 HD2 ARG A 11 -19.435 9.445 -0.962 1.00 6.54 H new ATOM 0 HD3 ARG A 11 -20.653 8.282 -0.477 1.00 6.54 H new ATOM 0 HE ARG A 11 -18.445 6.856 -1.609 1.00 6.72 H new ATOM 0 HH11 ARG A 11 -19.310 8.798 1.212 1.00 8.17 H new ATOM 0 HH12 ARG A 11 -18.148 7.990 2.269 1.00 8.17 H new ATOM 0 HH21 ARG A 11 -16.956 5.823 -0.244 1.00 7.81 H new ATOM 0 HH22 ARG A 11 -16.821 6.313 1.448 1.00 7.81 H new ATOM 66 N ILE A 12 -21.662 7.081 -5.297 1.00 5.07 N ATOM 67 CA ILE A 12 -22.057 5.721 -5.643 1.00 4.86 C ATOM 68 C ILE A 12 -21.431 4.711 -4.685 1.00 4.50 C ATOM 69 O ILE A 12 -22.107 4.169 -3.810 1.00 4.89 O ATOM 70 CB ILE A 12 -21.649 5.366 -7.088 1.00 5.47 C ATOM 71 CG1 ILE A 12 -22.393 6.263 -8.083 1.00 5.85 C ATOM 72 CG2 ILE A 12 -21.923 3.896 -7.375 1.00 5.84 C ATOM 73 CD1 ILE A 12 -21.933 6.095 -9.515 1.00 6.48 C ATOM 0 H ILE A 12 -20.735 7.347 -5.628 1.00 5.07 H new ATOM 0 HA ILE A 12 -23.143 5.674 -5.561 1.00 4.86 H new ATOM 0 HB ILE A 12 -20.579 5.539 -7.202 1.00 5.47 H new ATOM 0 HG12 ILE A 12 -23.460 6.047 -8.026 1.00 5.85 H new ATOM 0 HG13 ILE A 12 -22.262 7.304 -7.788 1.00 5.85 H new ATOM 0 HG21 ILE A 12 -21.629 3.664 -8.399 1.00 5.84 H new ATOM 0 HG22 ILE A 12 -21.350 3.277 -6.684 1.00 5.84 H new ATOM 0 HG23 ILE A 12 -22.986 3.693 -7.248 1.00 5.84 H new ATOM 0 HD11 ILE A 12 -22.504 6.761 -10.161 1.00 6.48 H new ATOM 0 HD12 ILE A 12 -20.873 6.339 -9.588 1.00 6.48 H new ATOM 0 HD13 ILE A 12 -22.090 5.063 -9.829 1.00 6.48 H new ATOM 85 N ARG A 13 -20.138 4.464 -4.860 1.00 4.15 N ATOM 86 CA ARG A 13 -19.417 3.520 -4.017 1.00 4.11 C ATOM 87 C ARG A 13 -17.985 3.988 -3.782 1.00 3.66 C ATOM 88 O ARG A 13 -17.668 5.161 -3.973 1.00 3.92 O ATOM 89 CB ARG A 13 -19.416 2.131 -4.662 1.00 4.88 C ATOM 90 CG ARG A 13 -18.746 2.092 -6.026 1.00 4.88 C ATOM 91 CD ARG A 13 -18.740 0.686 -6.603 1.00 5.78 C ATOM 92 NE ARG A 13 -18.087 0.632 -7.909 1.00 6.11 N ATOM 93 CZ ARG A 13 -17.817 -0.499 -8.554 1.00 7.14 C ATOM 94 NH1 ARG A 13 -18.143 -1.668 -8.016 1.00 7.85 N ATOM 95 NH2 ARG A 13 -17.221 -0.462 -9.737 1.00 7.67 N ATOM 0 H ARG A 13 -19.567 4.906 -5.580 1.00 4.15 H new ATOM 0 HA ARG A 13 -19.924 3.465 -3.054 1.00 4.11 H new ATOM 0 HB2 ARG A 13 -18.909 1.432 -3.997 1.00 4.88 H new ATOM 0 HB3 ARG A 13 -20.445 1.786 -4.762 1.00 4.88 H new ATOM 0 HG2 ARG A 13 -19.267 2.764 -6.708 1.00 4.88 H new ATOM 0 HG3 ARG A 13 -17.722 2.456 -5.940 1.00 4.88 H new ATOM 0 HD2 ARG A 13 -18.228 0.014 -5.914 1.00 5.78 H new ATOM 0 HD3 ARG A 13 -19.765 0.328 -6.695 1.00 5.78 H new ATOM 0 HE ARG A 13 -17.823 1.512 -8.351 1.00 6.11 H new ATOM 0 HH11 ARG A 13 -18.602 -1.700 -7.106 1.00 7.85 H new ATOM 0 HH12 ARG A 13 -17.935 -2.534 -8.513 1.00 7.85 H new ATOM 0 HH21 ARG A 13 -16.969 0.434 -10.153 1.00 7.67 H new ATOM 0 HH22 ARG A 13 -17.014 -1.330 -10.231 1.00 7.67 H new ATOM 109 N ARG A 14 -17.126 3.064 -3.366 1.00 3.32 N ATOM 110 CA ARG A 14 -15.726 3.383 -3.104 1.00 3.13 C ATOM 111 C ARG A 14 -15.036 3.884 -4.374 1.00 2.36 C ATOM 112 O ARG A 14 -15.075 3.216 -5.407 1.00 2.85 O ATOM 113 CB ARG A 14 -14.995 2.152 -2.564 1.00 4.06 C ATOM 114 CG ARG A 14 -15.592 1.601 -1.279 1.00 4.84 C ATOM 115 CD ARG A 14 -15.466 2.591 -0.131 1.00 5.79 C ATOM 116 NE ARG A 14 -16.039 2.069 1.108 1.00 6.71 N ATOM 117 CZ ARG A 14 -16.139 2.776 2.230 1.00 7.74 C ATOM 118 NH1 ARG A 14 -15.708 4.030 2.269 1.00 8.06 N ATOM 119 NH2 ARG A 14 -16.672 2.229 3.313 1.00 8.66 N ATOM 0 H ARG A 14 -17.374 2.088 -3.203 1.00 3.32 H new ATOM 0 HA ARG A 14 -15.691 4.175 -2.356 1.00 3.13 H new ATOM 0 HB2 ARG A 14 -15.007 1.371 -3.324 1.00 4.06 H new ATOM 0 HB3 ARG A 14 -13.950 2.409 -2.388 1.00 4.06 H new ATOM 0 HG2 ARG A 14 -16.643 1.362 -1.439 1.00 4.84 H new ATOM 0 HG3 ARG A 14 -15.090 0.671 -1.014 1.00 4.84 H new ATOM 0 HD2 ARG A 14 -14.414 2.829 0.028 1.00 5.79 H new ATOM 0 HD3 ARG A 14 -15.967 3.522 -0.398 1.00 5.79 H new ATOM 0 HE ARG A 14 -16.382 1.108 1.112 1.00 6.71 H new ATOM 0 HH11 ARG A 14 -15.299 4.455 1.437 1.00 8.06 H new ATOM 0 HH12 ARG A 14 -15.786 4.570 3.131 1.00 8.06 H new ATOM 0 HH21 ARG A 14 -17.006 1.265 3.286 1.00 8.66 H new ATOM 0 HH22 ARG A 14 -16.749 2.771 4.173 1.00 8.66 H new ATOM 133 N PRO A 15 -14.392 5.068 -4.318 1.00 1.72 N ATOM 134 CA PRO A 15 -13.699 5.639 -5.477 1.00 1.77 C ATOM 135 C PRO A 15 -12.414 4.889 -5.812 1.00 1.50 C ATOM 136 O PRO A 15 -12.136 4.604 -6.977 1.00 1.60 O ATOM 137 CB PRO A 15 -13.383 7.068 -5.033 1.00 2.29 C ATOM 138 CG PRO A 15 -13.295 6.990 -3.548 1.00 2.37 C ATOM 139 CD PRO A 15 -14.287 5.939 -3.129 1.00 2.06 C ATOM 0 HA PRO A 15 -14.305 5.583 -6.382 1.00 1.77 H new ATOM 0 HB2 PRO A 15 -12.447 7.420 -5.467 1.00 2.29 H new ATOM 0 HB3 PRO A 15 -14.162 7.762 -5.348 1.00 2.29 H new ATOM 0 HG2 PRO A 15 -12.287 6.724 -3.230 1.00 2.37 H new ATOM 0 HG3 PRO A 15 -13.529 7.952 -3.092 1.00 2.37 H new ATOM 0 HD2 PRO A 15 -13.941 5.386 -2.256 1.00 2.06 H new ATOM 0 HD3 PRO A 15 -15.250 6.378 -2.867 1.00 2.06 H new ATOM 147 N PHE A 16 -11.635 4.572 -4.783 1.00 1.28 N ATOM 148 CA PHE A 16 -10.379 3.855 -4.966 1.00 1.02 C ATOM 149 C PHE A 16 -10.364 2.566 -4.150 1.00 0.94 C ATOM 150 O PHE A 16 -11.165 2.392 -3.233 1.00 1.14 O ATOM 151 CB PHE A 16 -9.197 4.739 -4.565 1.00 0.98 C ATOM 152 CG PHE A 16 -9.069 5.985 -5.397 1.00 1.05 C ATOM 153 CD1 PHE A 16 -9.709 7.154 -5.019 1.00 1.32 C ATOM 154 CD2 PHE A 16 -8.310 5.984 -6.555 1.00 0.92 C ATOM 155 CE1 PHE A 16 -9.593 8.301 -5.782 1.00 1.42 C ATOM 156 CE2 PHE A 16 -8.190 7.128 -7.323 1.00 1.05 C ATOM 157 CZ PHE A 16 -8.833 8.287 -6.936 1.00 1.29 C ATOM 0 H PHE A 16 -11.852 4.801 -3.813 1.00 1.28 H new ATOM 0 HA PHE A 16 -10.289 3.598 -6.021 1.00 1.02 H new ATOM 0 HB2 PHE A 16 -9.303 5.021 -3.517 1.00 0.98 H new ATOM 0 HB3 PHE A 16 -8.277 4.161 -4.648 1.00 0.98 H new ATOM 0 HD1 PHE A 16 -10.305 7.169 -4.118 1.00 1.32 H new ATOM 0 HD2 PHE A 16 -7.806 5.080 -6.862 1.00 0.92 H new ATOM 0 HE1 PHE A 16 -10.096 9.207 -5.477 1.00 1.42 H new ATOM 0 HE2 PHE A 16 -7.594 7.115 -8.224 1.00 1.05 H new ATOM 0 HZ PHE A 16 -8.742 9.181 -7.534 1.00 1.29 H new ATOM 167 N SER A 17 -9.446 1.668 -4.492 1.00 0.74 N ATOM 168 CA SER A 17 -9.322 0.394 -3.791 1.00 0.68 C ATOM 169 C SER A 17 -7.920 -0.179 -3.958 1.00 0.58 C ATOM 170 O SER A 17 -7.090 0.392 -4.664 1.00 0.56 O ATOM 171 CB SER A 17 -10.358 -0.602 -4.315 1.00 0.75 C ATOM 172 OG SER A 17 -10.183 -0.840 -5.702 1.00 1.54 O ATOM 0 H SER A 17 -8.777 1.798 -5.250 1.00 0.74 H new ATOM 0 HA SER A 17 -9.502 0.569 -2.730 1.00 0.68 H new ATOM 0 HB2 SER A 17 -10.273 -1.541 -3.768 1.00 0.75 H new ATOM 0 HB3 SER A 17 -11.361 -0.217 -4.133 1.00 0.75 H new ATOM 0 HG SER A 17 -10.856 -1.481 -6.011 1.00 1.54 H new ATOM 178 N VAL A 18 -7.663 -1.308 -3.300 1.00 0.58 N ATOM 179 CA VAL A 18 -6.360 -1.965 -3.374 1.00 0.53 C ATOM 180 C VAL A 18 -5.862 -2.060 -4.817 1.00 0.49 C ATOM 181 O VAL A 18 -4.657 -2.008 -5.072 1.00 0.46 O ATOM 182 CB VAL A 18 -6.415 -3.380 -2.763 1.00 0.59 C ATOM 183 CG1 VAL A 18 -7.412 -4.252 -3.511 1.00 0.65 C ATOM 184 CG2 VAL A 18 -5.034 -4.019 -2.759 1.00 0.60 C ATOM 0 H VAL A 18 -8.342 -1.787 -2.708 1.00 0.58 H new ATOM 0 HA VAL A 18 -5.665 -1.353 -2.800 1.00 0.53 H new ATOM 0 HB VAL A 18 -6.751 -3.292 -1.730 1.00 0.59 H new ATOM 0 HG11 VAL A 18 -7.434 -5.245 -3.063 1.00 0.65 H new ATOM 0 HG12 VAL A 18 -8.404 -3.804 -3.451 1.00 0.65 H new ATOM 0 HG13 VAL A 18 -7.113 -4.332 -4.556 1.00 0.65 H new ATOM 0 HG21 VAL A 18 -5.096 -5.016 -2.324 1.00 0.60 H new ATOM 0 HG22 VAL A 18 -4.664 -4.092 -3.782 1.00 0.60 H new ATOM 0 HG23 VAL A 18 -4.352 -3.407 -2.169 1.00 0.60 H new ATOM 194 N ALA A 19 -6.794 -2.190 -5.756 1.00 0.54 N ATOM 195 CA ALA A 19 -6.450 -2.290 -7.170 1.00 0.56 C ATOM 196 C ALA A 19 -5.780 -1.012 -7.664 1.00 0.50 C ATOM 197 O ALA A 19 -4.714 -1.055 -8.277 1.00 0.54 O ATOM 198 CB ALA A 19 -7.692 -2.590 -7.995 1.00 0.63 C ATOM 0 H ALA A 19 -7.795 -2.229 -5.563 1.00 0.54 H new ATOM 0 HA ALA A 19 -5.741 -3.110 -7.289 1.00 0.56 H new ATOM 0 HB1 ALA A 19 -7.421 -2.662 -9.048 1.00 0.63 H new ATOM 0 HB2 ALA A 19 -8.127 -3.534 -7.667 1.00 0.63 H new ATOM 0 HB3 ALA A 19 -8.420 -1.789 -7.862 1.00 0.63 H new ATOM 204 N GLU A 20 -6.416 0.125 -7.395 1.00 0.44 N ATOM 205 CA GLU A 20 -5.883 1.419 -7.811 1.00 0.40 C ATOM 206 C GLU A 20 -4.587 1.736 -7.071 1.00 0.40 C ATOM 207 O GLU A 20 -3.627 2.239 -7.660 1.00 0.39 O ATOM 208 CB GLU A 20 -6.913 2.520 -7.554 1.00 0.40 C ATOM 209 CG GLU A 20 -8.198 2.350 -8.349 1.00 1.02 C ATOM 210 CD GLU A 20 -7.965 2.377 -9.846 1.00 1.57 C ATOM 211 OE1 GLU A 20 -8.010 3.479 -10.434 1.00 1.95 O ATOM 212 OE2 GLU A 20 -7.740 1.299 -10.432 1.00 2.03 O ATOM 0 H GLU A 20 -7.301 0.177 -6.891 1.00 0.44 H new ATOM 0 HA GLU A 20 -5.668 1.372 -8.879 1.00 0.40 H new ATOM 0 HB2 GLU A 20 -7.153 2.540 -6.491 1.00 0.40 H new ATOM 0 HB3 GLU A 20 -6.469 3.485 -7.799 1.00 0.40 H new ATOM 0 HG2 GLU A 20 -8.668 1.405 -8.075 1.00 1.02 H new ATOM 0 HG3 GLU A 20 -8.895 3.143 -8.079 1.00 1.02 H new ATOM 219 N VAL A 21 -4.568 1.435 -5.777 1.00 0.42 N ATOM 220 CA VAL A 21 -3.392 1.685 -4.954 1.00 0.45 C ATOM 221 C VAL A 21 -2.173 0.966 -5.519 1.00 0.44 C ATOM 222 O VAL A 21 -1.048 1.441 -5.377 1.00 0.48 O ATOM 223 CB VAL A 21 -3.619 1.244 -3.495 1.00 0.54 C ATOM 224 CG1 VAL A 21 -2.395 1.545 -2.645 1.00 0.81 C ATOM 225 CG2 VAL A 21 -4.851 1.927 -2.922 1.00 1.10 C ATOM 0 H VAL A 21 -5.353 1.018 -5.277 1.00 0.42 H new ATOM 0 HA VAL A 21 -3.213 2.760 -4.967 1.00 0.45 H new ATOM 0 HB VAL A 21 -3.783 0.167 -3.482 1.00 0.54 H new ATOM 0 HG11 VAL A 21 -2.577 1.226 -1.619 1.00 0.81 H new ATOM 0 HG12 VAL A 21 -1.534 1.009 -3.044 1.00 0.81 H new ATOM 0 HG13 VAL A 21 -2.195 2.616 -2.661 1.00 0.81 H new ATOM 0 HG21 VAL A 21 -4.999 1.606 -1.891 1.00 1.10 H new ATOM 0 HG22 VAL A 21 -4.713 3.008 -2.949 1.00 1.10 H new ATOM 0 HG23 VAL A 21 -5.725 1.658 -3.515 1.00 1.10 H new ATOM 235 N GLU A 22 -2.402 -0.181 -6.159 1.00 0.42 N ATOM 236 CA GLU A 22 -1.315 -0.953 -6.755 1.00 0.45 C ATOM 237 C GLU A 22 -0.431 -0.046 -7.601 1.00 0.42 C ATOM 238 O GLU A 22 0.775 0.068 -7.363 1.00 0.44 O ATOM 239 CB GLU A 22 -1.875 -2.087 -7.616 1.00 0.50 C ATOM 240 CG GLU A 22 -0.806 -3.003 -8.188 1.00 0.98 C ATOM 241 CD GLU A 22 -1.383 -4.098 -9.062 1.00 1.57 C ATOM 242 OE1 GLU A 22 -1.739 -5.166 -8.521 1.00 2.29 O ATOM 243 OE2 GLU A 22 -1.480 -3.890 -10.290 1.00 1.74 O ATOM 0 H GLU A 22 -3.327 -0.594 -6.277 1.00 0.42 H new ATOM 0 HA GLU A 22 -0.717 -1.385 -5.953 1.00 0.45 H new ATOM 0 HB2 GLU A 22 -2.566 -2.679 -7.017 1.00 0.50 H new ATOM 0 HB3 GLU A 22 -2.451 -1.658 -8.436 1.00 0.50 H new ATOM 0 HG2 GLU A 22 -0.100 -2.412 -8.771 1.00 0.98 H new ATOM 0 HG3 GLU A 22 -0.244 -3.454 -7.370 1.00 0.98 H new ATOM 250 N ALA A 23 -1.040 0.598 -8.591 1.00 0.42 N ATOM 251 CA ALA A 23 -0.318 1.513 -9.458 1.00 0.43 C ATOM 252 C ALA A 23 0.287 2.640 -8.634 1.00 0.42 C ATOM 253 O ALA A 23 1.420 3.066 -8.871 1.00 0.45 O ATOM 254 CB ALA A 23 -1.244 2.075 -10.526 1.00 0.42 C ATOM 0 H ALA A 23 -2.031 0.501 -8.810 1.00 0.42 H new ATOM 0 HA ALA A 23 0.486 0.968 -9.953 1.00 0.43 H new ATOM 0 HB1 ALA A 23 -0.687 2.759 -11.167 1.00 0.42 H new ATOM 0 HB2 ALA A 23 -1.644 1.258 -11.127 1.00 0.42 H new ATOM 0 HB3 ALA A 23 -2.065 2.611 -10.050 1.00 0.42 H new ATOM 260 N LEU A 24 -0.481 3.117 -7.656 1.00 0.41 N ATOM 261 CA LEU A 24 -0.023 4.185 -6.778 1.00 0.43 C ATOM 262 C LEU A 24 1.254 3.768 -6.056 1.00 0.44 C ATOM 263 O LEU A 24 2.086 4.606 -5.710 1.00 0.37 O ATOM 264 CB LEU A 24 -1.112 4.544 -5.761 1.00 0.46 C ATOM 265 CG LEU A 24 -0.774 5.710 -4.828 1.00 0.54 C ATOM 266 CD1 LEU A 24 -0.595 6.995 -5.622 1.00 0.63 C ATOM 267 CD2 LEU A 24 -1.859 5.878 -3.775 1.00 0.61 C ATOM 0 H LEU A 24 -1.422 2.779 -7.454 1.00 0.41 H new ATOM 0 HA LEU A 24 0.191 5.064 -7.386 1.00 0.43 H new ATOM 0 HB2 LEU A 24 -2.027 4.786 -6.302 1.00 0.46 H new ATOM 0 HB3 LEU A 24 -1.324 3.664 -5.154 1.00 0.46 H new ATOM 0 HG LEU A 24 0.166 5.487 -4.322 1.00 0.54 H new ATOM 0 HD11 LEU A 24 -0.355 7.812 -4.942 1.00 0.63 H new ATOM 0 HD12 LEU A 24 0.216 6.870 -6.339 1.00 0.63 H new ATOM 0 HD13 LEU A 24 -1.518 7.225 -6.155 1.00 0.63 H new ATOM 0 HD21 LEU A 24 -1.604 6.711 -3.120 1.00 0.61 H new ATOM 0 HD22 LEU A 24 -2.812 6.079 -4.264 1.00 0.61 H new ATOM 0 HD23 LEU A 24 -1.939 4.964 -3.186 1.00 0.61 H new ATOM 279 N VAL A 25 1.402 2.463 -5.835 1.00 0.65 N ATOM 280 CA VAL A 25 2.581 1.928 -5.166 1.00 0.72 C ATOM 281 C VAL A 25 3.774 1.933 -6.113 1.00 0.69 C ATOM 282 O VAL A 25 4.902 2.210 -5.706 1.00 0.67 O ATOM 283 CB VAL A 25 2.342 0.490 -4.652 1.00 0.97 C ATOM 284 CG1 VAL A 25 3.642 -0.135 -4.166 1.00 2.08 C ATOM 285 CG2 VAL A 25 1.301 0.486 -3.543 1.00 0.38 C ATOM 0 H VAL A 25 0.718 1.758 -6.111 1.00 0.65 H new ATOM 0 HA VAL A 25 2.788 2.569 -4.309 1.00 0.72 H new ATOM 0 HB VAL A 25 1.966 -0.109 -5.481 1.00 0.97 H new ATOM 0 HG11 VAL A 25 3.448 -1.147 -3.809 1.00 2.08 H new ATOM 0 HG12 VAL A 25 4.358 -0.171 -4.987 1.00 2.08 H new ATOM 0 HG13 VAL A 25 4.052 0.464 -3.353 1.00 2.08 H new ATOM 0 HG21 VAL A 25 1.146 -0.535 -3.193 1.00 0.38 H new ATOM 0 HG22 VAL A 25 1.649 1.104 -2.715 1.00 0.38 H new ATOM 0 HG23 VAL A 25 0.361 0.886 -3.924 1.00 0.38 H new ATOM 295 N GLN A 26 3.514 1.625 -7.381 1.00 0.74 N ATOM 296 CA GLN A 26 4.565 1.602 -8.392 1.00 0.80 C ATOM 297 C GLN A 26 5.112 3.005 -8.631 1.00 0.70 C ATOM 298 O GLN A 26 6.232 3.176 -9.114 1.00 0.77 O ATOM 299 CB GLN A 26 4.022 1.020 -9.701 1.00 0.91 C ATOM 300 CG GLN A 26 5.074 0.881 -10.791 1.00 1.03 C ATOM 301 CD GLN A 26 6.138 -0.143 -10.446 1.00 1.59 C ATOM 302 OE1 GLN A 26 5.873 -1.120 -9.746 1.00 2.06 O ATOM 303 NE2 GLN A 26 7.351 0.077 -10.938 1.00 2.43 N ATOM 0 H GLN A 26 2.586 1.388 -7.732 1.00 0.74 H new ATOM 0 HA GLN A 26 5.377 0.971 -8.031 1.00 0.80 H new ATOM 0 HB2 GLN A 26 3.588 0.041 -9.500 1.00 0.91 H new ATOM 0 HB3 GLN A 26 3.216 1.657 -10.065 1.00 0.91 H new ATOM 0 HG2 GLN A 26 4.589 0.596 -11.725 1.00 1.03 H new ATOM 0 HG3 GLN A 26 5.547 1.848 -10.960 1.00 1.03 H new ATOM 0 HE21 GLN A 26 7.526 0.900 -11.514 1.00 2.43 H new ATOM 0 HE22 GLN A 26 8.108 -0.577 -10.740 1.00 2.43 H new ATOM 312 N ALA A 27 4.308 4.009 -8.298 1.00 0.56 N ATOM 313 CA ALA A 27 4.700 5.403 -8.473 1.00 0.51 C ATOM 314 C ALA A 27 5.449 5.946 -7.256 1.00 0.46 C ATOM 315 O ALA A 27 6.390 6.726 -7.395 1.00 0.49 O ATOM 316 CB ALA A 27 3.477 6.259 -8.761 1.00 0.45 C ATOM 0 H ALA A 27 3.376 3.882 -7.903 1.00 0.56 H new ATOM 0 HA ALA A 27 5.382 5.447 -9.322 1.00 0.51 H new ATOM 0 HB1 ALA A 27 3.782 7.298 -8.890 1.00 0.45 H new ATOM 0 HB2 ALA A 27 2.993 5.907 -9.672 1.00 0.45 H new ATOM 0 HB3 ALA A 27 2.778 6.187 -7.928 1.00 0.45 H new ATOM 322 N VAL A 28 5.027 5.531 -6.061 1.00 0.41 N ATOM 323 CA VAL A 28 5.647 6.002 -4.823 1.00 0.37 C ATOM 324 C VAL A 28 6.876 5.183 -4.433 1.00 0.39 C ATOM 325 O VAL A 28 7.689 5.629 -3.626 1.00 0.37 O ATOM 326 CB VAL A 28 4.648 5.987 -3.651 1.00 0.37 C ATOM 327 CG1 VAL A 28 3.460 6.887 -3.949 1.00 0.39 C ATOM 328 CG2 VAL A 28 4.189 4.568 -3.356 1.00 0.44 C ATOM 0 H VAL A 28 4.261 4.872 -5.925 1.00 0.41 H new ATOM 0 HA VAL A 28 5.963 7.026 -5.023 1.00 0.37 H new ATOM 0 HB VAL A 28 5.153 6.372 -2.765 1.00 0.37 H new ATOM 0 HG11 VAL A 28 2.766 6.863 -3.109 1.00 0.39 H new ATOM 0 HG12 VAL A 28 3.807 7.909 -4.104 1.00 0.39 H new ATOM 0 HG13 VAL A 28 2.954 6.536 -4.848 1.00 0.39 H new ATOM 0 HG21 VAL A 28 3.484 4.579 -2.525 1.00 0.44 H new ATOM 0 HG22 VAL A 28 3.703 4.152 -4.239 1.00 0.44 H new ATOM 0 HG23 VAL A 28 5.050 3.954 -3.093 1.00 0.44 H new ATOM 338 N GLU A 29 7.013 3.988 -4.994 1.00 0.45 N ATOM 339 CA GLU A 29 8.152 3.128 -4.672 1.00 0.49 C ATOM 340 C GLU A 29 9.485 3.812 -4.981 1.00 0.49 C ATOM 341 O GLU A 29 10.544 3.317 -4.597 1.00 0.53 O ATOM 342 CB GLU A 29 8.061 1.803 -5.431 1.00 0.62 C ATOM 343 CG GLU A 29 7.756 1.964 -6.909 1.00 0.70 C ATOM 344 CD GLU A 29 8.090 0.722 -7.710 1.00 0.96 C ATOM 345 OE1 GLU A 29 7.311 -0.252 -7.648 1.00 1.11 O ATOM 346 OE2 GLU A 29 9.132 0.722 -8.398 1.00 1.13 O ATOM 0 H GLU A 29 6.358 3.592 -5.668 1.00 0.45 H new ATOM 0 HA GLU A 29 8.113 2.931 -3.601 1.00 0.49 H new ATOM 0 HB2 GLU A 29 9.003 1.266 -5.320 1.00 0.62 H new ATOM 0 HB3 GLU A 29 7.287 1.186 -4.975 1.00 0.62 H new ATOM 0 HG2 GLU A 29 6.699 2.200 -7.035 1.00 0.70 H new ATOM 0 HG3 GLU A 29 8.321 2.809 -7.303 1.00 0.70 H new ATOM 353 N LYS A 30 9.431 4.949 -5.674 1.00 0.49 N ATOM 354 CA LYS A 30 10.645 5.683 -6.025 1.00 0.55 C ATOM 355 C LYS A 30 10.789 6.964 -5.201 1.00 0.50 C ATOM 356 O LYS A 30 11.859 7.238 -4.655 1.00 0.52 O ATOM 357 CB LYS A 30 10.648 6.018 -7.519 1.00 0.66 C ATOM 358 CG LYS A 30 9.413 6.779 -7.976 1.00 0.64 C ATOM 359 CD LYS A 30 9.525 7.200 -9.431 1.00 0.74 C ATOM 360 CE LYS A 30 8.297 7.973 -9.884 1.00 1.25 C ATOM 361 NZ LYS A 30 8.401 8.398 -11.306 1.00 1.48 N ATOM 0 H LYS A 30 8.566 5.379 -6.001 1.00 0.49 H new ATOM 0 HA LYS A 30 11.496 5.041 -5.797 1.00 0.55 H new ATOM 0 HB2 LYS A 30 11.534 6.610 -7.748 1.00 0.66 H new ATOM 0 HB3 LYS A 30 10.726 5.093 -8.090 1.00 0.66 H new ATOM 0 HG2 LYS A 30 8.530 6.154 -7.844 1.00 0.64 H new ATOM 0 HG3 LYS A 30 9.276 7.661 -7.350 1.00 0.64 H new ATOM 0 HD2 LYS A 30 10.414 7.816 -9.565 1.00 0.74 H new ATOM 0 HD3 LYS A 30 9.652 6.317 -10.057 1.00 0.74 H new ATOM 0 HE2 LYS A 30 7.410 7.353 -9.755 1.00 1.25 H new ATOM 0 HE3 LYS A 30 8.167 8.851 -9.251 1.00 1.25 H new ATOM 0 HZ1 LYS A 30 7.544 8.922 -11.575 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 9.233 9.011 -11.425 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 8.499 7.559 -11.913 1.00 1.48 H new ATOM 375 N LEU A 31 9.713 7.742 -5.116 1.00 0.47 N ATOM 376 CA LEU A 31 9.735 8.995 -4.366 1.00 0.48 C ATOM 377 C LEU A 31 8.889 8.902 -3.099 1.00 0.39 C ATOM 378 O LEU A 31 8.357 9.904 -2.619 1.00 0.46 O ATOM 379 CB LEU A 31 9.239 10.147 -5.249 1.00 0.61 C ATOM 380 CG LEU A 31 8.011 9.835 -6.111 1.00 0.63 C ATOM 381 CD1 LEU A 31 6.751 9.772 -5.260 1.00 0.58 C ATOM 382 CD2 LEU A 31 7.858 10.873 -7.213 1.00 0.81 C ATOM 0 H LEU A 31 8.818 7.528 -5.556 1.00 0.47 H new ATOM 0 HA LEU A 31 10.765 9.189 -4.067 1.00 0.48 H new ATOM 0 HB2 LEU A 31 9.005 10.998 -4.609 1.00 0.61 H new ATOM 0 HB3 LEU A 31 10.053 10.456 -5.905 1.00 0.61 H new ATOM 0 HG LEU A 31 8.158 8.858 -6.571 1.00 0.63 H new ATOM 0 HD11 LEU A 31 5.894 9.549 -5.895 1.00 0.58 H new ATOM 0 HD12 LEU A 31 6.858 8.990 -4.508 1.00 0.58 H new ATOM 0 HD13 LEU A 31 6.597 10.731 -4.766 1.00 0.58 H new ATOM 0 HD21 LEU A 31 6.981 10.637 -7.816 1.00 0.81 H new ATOM 0 HD22 LEU A 31 7.737 11.861 -6.768 1.00 0.81 H new ATOM 0 HD23 LEU A 31 8.746 10.866 -7.845 1.00 0.81 H new ATOM 394 N GLY A 32 8.777 7.696 -2.557 1.00 0.31 N ATOM 395 CA GLY A 32 7.992 7.490 -1.354 1.00 0.33 C ATOM 396 C GLY A 32 8.637 8.091 -0.121 1.00 0.29 C ATOM 397 O GLY A 32 9.702 8.704 -0.203 1.00 0.29 O ATOM 0 H GLY A 32 9.217 6.855 -2.930 1.00 0.31 H new ATOM 0 HA2 GLY A 32 7.003 7.928 -1.491 1.00 0.33 H new ATOM 0 HA3 GLY A 32 7.848 6.421 -1.198 1.00 0.33 H new ATOM 401 N THR A 33 7.986 7.916 1.025 1.00 0.34 N ATOM 402 CA THR A 33 8.492 8.440 2.284 1.00 0.39 C ATOM 403 C THR A 33 8.160 7.507 3.444 1.00 0.45 C ATOM 404 O THR A 33 9.032 7.155 4.240 1.00 0.54 O ATOM 405 CB THR A 33 7.904 9.830 2.582 1.00 0.50 C ATOM 406 OG1 THR A 33 6.518 9.864 2.221 1.00 1.33 O ATOM 407 CG2 THR A 33 8.658 10.914 1.829 1.00 1.32 C ATOM 0 H THR A 33 7.103 7.412 1.105 1.00 0.34 H new ATOM 0 HA THR A 33 9.574 8.518 2.183 1.00 0.39 H new ATOM 0 HB THR A 33 8.005 10.019 3.651 1.00 0.50 H new ATOM 0 HG1 THR A 33 6.272 10.774 1.953 1.00 1.33 H new ATOM 0 HG21 THR A 33 8.222 11.886 2.058 1.00 1.32 H new ATOM 0 HG22 THR A 33 9.705 10.906 2.131 1.00 1.32 H new ATOM 0 HG23 THR A 33 8.588 10.728 0.757 1.00 1.32 H new ATOM 415 N GLY A 34 6.896 7.109 3.533 1.00 0.45 N ATOM 416 CA GLY A 34 6.467 6.223 4.598 1.00 0.56 C ATOM 417 C GLY A 34 5.100 5.626 4.334 1.00 0.54 C ATOM 418 O GLY A 34 4.417 5.198 5.263 1.00 0.65 O ATOM 0 H GLY A 34 6.159 7.385 2.884 1.00 0.45 H new ATOM 0 HA2 GLY A 34 7.195 5.420 4.715 1.00 0.56 H new ATOM 0 HA3 GLY A 34 6.445 6.773 5.539 1.00 0.56 H new ATOM 422 N ARG A 35 4.710 5.603 3.058 1.00 0.44 N ATOM 423 CA ARG A 35 3.418 5.062 2.633 1.00 0.45 C ATOM 424 C ARG A 35 2.288 5.491 3.567 1.00 0.52 C ATOM 425 O ARG A 35 1.252 4.830 3.652 1.00 0.57 O ATOM 426 CB ARG A 35 3.474 3.530 2.526 1.00 0.56 C ATOM 427 CG ARG A 35 3.418 2.795 3.861 1.00 0.88 C ATOM 428 CD ARG A 35 4.801 2.384 4.342 1.00 1.19 C ATOM 429 NE ARG A 35 5.501 1.554 3.366 1.00 2.24 N ATOM 430 CZ ARG A 35 6.551 0.795 3.666 1.00 3.15 C ATOM 431 NH1 ARG A 35 7.001 0.742 4.913 1.00 3.22 N ATOM 432 NH2 ARG A 35 7.151 0.086 2.720 1.00 4.26 N ATOM 0 H ARG A 35 5.281 5.959 2.291 1.00 0.44 H new ATOM 0 HA ARG A 35 3.205 5.473 1.646 1.00 0.45 H new ATOM 0 HB2 ARG A 35 2.644 3.192 1.906 1.00 0.56 H new ATOM 0 HB3 ARG A 35 4.392 3.249 2.010 1.00 0.56 H new ATOM 0 HG2 ARG A 35 2.949 3.435 4.608 1.00 0.88 H new ATOM 0 HG3 ARG A 35 2.790 1.909 3.762 1.00 0.88 H new ATOM 0 HD2 ARG A 35 5.392 3.276 4.548 1.00 1.19 H new ATOM 0 HD3 ARG A 35 4.710 1.838 5.281 1.00 1.19 H new ATOM 0 HE ARG A 35 5.167 1.556 2.402 1.00 2.24 H new ATOM 0 HH11 ARG A 35 6.541 1.284 5.645 1.00 3.22 H new ATOM 0 HH12 ARG A 35 7.807 0.159 5.140 1.00 3.22 H new ATOM 0 HH21 ARG A 35 6.807 0.122 1.760 1.00 4.26 H new ATOM 0 HH22 ARG A 35 7.956 -0.496 2.952 1.00 4.26 H new ATOM 446 N TRP A 36 2.484 6.611 4.252 1.00 0.56 N ATOM 447 CA TRP A 36 1.483 7.124 5.179 1.00 0.69 C ATOM 448 C TRP A 36 0.271 7.669 4.431 1.00 0.68 C ATOM 449 O TRP A 36 -0.870 7.391 4.797 1.00 0.74 O ATOM 450 CB TRP A 36 2.090 8.209 6.073 1.00 0.83 C ATOM 451 CG TRP A 36 2.866 9.247 5.318 1.00 1.00 C ATOM 452 CD1 TRP A 36 4.176 9.175 4.943 1.00 0.77 C ATOM 453 CD2 TRP A 36 2.383 10.513 4.854 1.00 2.14 C ATOM 454 NE1 TRP A 36 4.537 10.317 4.268 1.00 1.60 N ATOM 455 CE2 TRP A 36 3.453 11.154 4.202 1.00 2.56 C ATOM 456 CE3 TRP A 36 1.149 11.166 4.923 1.00 2.97 C ATOM 457 CZ2 TRP A 36 3.326 12.416 3.625 1.00 3.80 C ATOM 458 CZ3 TRP A 36 1.024 12.419 4.351 1.00 4.19 C ATOM 459 CH2 TRP A 36 2.107 13.031 3.707 1.00 4.61 C ATOM 0 H TRP A 36 3.327 7.181 4.183 1.00 0.56 H new ATOM 0 HA TRP A 36 1.149 6.298 5.807 1.00 0.69 H new ATOM 0 HB2 TRP A 36 1.290 8.699 6.629 1.00 0.83 H new ATOM 0 HB3 TRP A 36 2.746 7.739 6.806 1.00 0.83 H new ATOM 0 HD1 TRP A 36 4.833 8.343 5.147 1.00 0.77 H new ATOM 0 HE1 TRP A 36 5.460 10.510 3.880 1.00 1.60 H new ATOM 0 HE3 TRP A 36 0.308 10.700 5.414 1.00 2.97 H new ATOM 0 HZ2 TRP A 36 4.160 12.892 3.131 1.00 3.80 H new ATOM 0 HZ3 TRP A 36 0.076 12.934 4.402 1.00 4.19 H new ATOM 0 HH2 TRP A 36 1.977 14.008 3.266 1.00 4.61 H new ATOM 470 N ARG A 37 0.524 8.433 3.375 1.00 0.66 N ATOM 471 CA ARG A 37 -0.546 9.021 2.582 1.00 0.72 C ATOM 472 C ARG A 37 -1.278 7.960 1.768 1.00 0.59 C ATOM 473 O ARG A 37 -2.487 8.048 1.556 1.00 0.64 O ATOM 474 CB ARG A 37 0.028 10.087 1.652 1.00 0.84 C ATOM 475 CG ARG A 37 1.159 9.574 0.777 1.00 0.76 C ATOM 476 CD ARG A 37 2.017 10.711 0.258 1.00 0.98 C ATOM 477 NE ARG A 37 2.993 10.256 -0.731 1.00 1.73 N ATOM 478 CZ ARG A 37 3.929 11.039 -1.257 1.00 2.17 C ATOM 479 NH1 ARG A 37 4.021 12.309 -0.890 1.00 1.73 N ATOM 480 NH2 ARG A 37 4.778 10.550 -2.151 1.00 3.30 N ATOM 0 H ARG A 37 1.463 8.660 3.048 1.00 0.66 H new ATOM 0 HA ARG A 37 -1.264 9.478 3.263 1.00 0.72 H new ATOM 0 HB2 ARG A 37 -0.769 10.472 1.016 1.00 0.84 H new ATOM 0 HB3 ARG A 37 0.391 10.924 2.249 1.00 0.84 H new ATOM 0 HG2 ARG A 37 1.777 8.881 1.348 1.00 0.76 H new ATOM 0 HG3 ARG A 37 0.746 9.015 -0.063 1.00 0.76 H new ATOM 0 HD2 ARG A 37 1.378 11.473 -0.188 1.00 0.98 H new ATOM 0 HD3 ARG A 37 2.539 11.181 1.092 1.00 0.98 H new ATOM 0 HE ARG A 37 2.953 9.283 -1.034 1.00 1.73 H new ATOM 0 HH11 ARG A 37 3.372 12.689 -0.201 1.00 1.73 H new ATOM 0 HH12 ARG A 37 4.741 12.906 -1.296 1.00 1.73 H new ATOM 0 HH21 ARG A 37 4.713 9.573 -2.435 1.00 3.30 H new ATOM 0 HH22 ARG A 37 5.496 11.151 -2.554 1.00 3.30 H new ATOM 494 N ASP A 38 -0.536 6.956 1.315 1.00 0.48 N ATOM 495 CA ASP A 38 -1.107 5.883 0.513 1.00 0.48 C ATOM 496 C ASP A 38 -2.069 5.026 1.331 1.00 0.54 C ATOM 497 O ASP A 38 -3.259 4.955 1.027 1.00 0.59 O ATOM 498 CB ASP A 38 0.005 5.006 -0.066 1.00 0.53 C ATOM 499 CG ASP A 38 1.004 5.805 -0.880 1.00 0.58 C ATOM 500 OD1 ASP A 38 1.982 6.311 -0.290 1.00 0.52 O ATOM 501 OD2 ASP A 38 0.808 5.926 -2.108 1.00 0.78 O ATOM 0 H ASP A 38 0.465 6.864 1.491 1.00 0.48 H new ATOM 0 HA ASP A 38 -1.669 6.341 -0.301 1.00 0.48 H new ATOM 0 HB2 ASP A 38 0.525 4.499 0.747 1.00 0.53 H new ATOM 0 HB3 ASP A 38 -0.436 4.232 -0.694 1.00 0.53 H new ATOM 506 N VAL A 39 -1.546 4.379 2.365 1.00 0.64 N ATOM 507 CA VAL A 39 -2.359 3.517 3.217 1.00 0.83 C ATOM 508 C VAL A 39 -3.541 4.270 3.824 1.00 0.85 C ATOM 509 O VAL A 39 -4.637 3.723 3.942 1.00 0.96 O ATOM 510 CB VAL A 39 -1.521 2.892 4.348 1.00 1.05 C ATOM 511 CG1 VAL A 39 -2.363 1.922 5.162 1.00 2.01 C ATOM 512 CG2 VAL A 39 -0.296 2.194 3.779 1.00 1.87 C ATOM 0 H VAL A 39 -0.564 4.434 2.635 1.00 0.64 H new ATOM 0 HA VAL A 39 -2.742 2.723 2.575 1.00 0.83 H new ATOM 0 HB VAL A 39 -1.184 3.690 5.010 1.00 1.05 H new ATOM 0 HG11 VAL A 39 -1.754 1.490 5.956 1.00 2.01 H new ATOM 0 HG12 VAL A 39 -3.208 2.453 5.600 1.00 2.01 H new ATOM 0 HG13 VAL A 39 -2.731 1.127 4.514 1.00 2.01 H new ATOM 0 HG21 VAL A 39 0.285 1.758 4.592 1.00 1.87 H new ATOM 0 HG22 VAL A 39 -0.611 1.406 3.095 1.00 1.87 H new ATOM 0 HG23 VAL A 39 0.318 2.917 3.242 1.00 1.87 H new ATOM 522 N LYS A 40 -3.318 5.524 4.208 1.00 0.86 N ATOM 523 CA LYS A 40 -4.377 6.333 4.802 1.00 1.02 C ATOM 524 C LYS A 40 -5.493 6.604 3.797 1.00 0.90 C ATOM 525 O LYS A 40 -6.664 6.691 4.168 1.00 0.89 O ATOM 526 CB LYS A 40 -3.814 7.655 5.323 1.00 1.22 C ATOM 527 CG LYS A 40 -3.139 7.535 6.680 1.00 1.48 C ATOM 528 CD LYS A 40 -2.596 8.874 7.152 1.00 2.10 C ATOM 529 CE LYS A 40 -1.918 8.755 8.505 1.00 2.76 C ATOM 530 NZ LYS A 40 -1.387 10.064 8.978 1.00 3.34 N ATOM 0 H LYS A 40 -2.420 5.999 4.119 1.00 0.86 H new ATOM 0 HA LYS A 40 -4.795 5.771 5.637 1.00 1.02 H new ATOM 0 HB2 LYS A 40 -3.095 8.044 4.602 1.00 1.22 H new ATOM 0 HB3 LYS A 40 -4.622 8.383 5.391 1.00 1.22 H new ATOM 0 HG2 LYS A 40 -3.853 7.153 7.410 1.00 1.48 H new ATOM 0 HG3 LYS A 40 -2.326 6.812 6.620 1.00 1.48 H new ATOM 0 HD2 LYS A 40 -1.885 9.258 6.420 1.00 2.10 H new ATOM 0 HD3 LYS A 40 -3.410 9.596 7.214 1.00 2.10 H new ATOM 0 HE2 LYS A 40 -2.629 8.367 9.234 1.00 2.76 H new ATOM 0 HE3 LYS A 40 -1.103 8.035 8.440 1.00 2.76 H new ATOM 0 HZ1 LYS A 40 -0.932 9.940 9.905 1.00 3.34 H new ATOM 0 HZ2 LYS A 40 -0.689 10.423 8.295 1.00 3.34 H new ATOM 0 HZ3 LYS A 40 -2.168 10.745 9.065 1.00 3.34 H new ATOM 544 N LEU A 41 -5.129 6.738 2.524 1.00 0.84 N ATOM 545 CA LEU A 41 -6.108 7.001 1.477 1.00 0.82 C ATOM 546 C LEU A 41 -6.238 5.810 0.536 1.00 0.75 C ATOM 547 O LEU A 41 -6.733 5.944 -0.584 1.00 0.82 O ATOM 548 CB LEU A 41 -5.726 8.256 0.684 1.00 0.93 C ATOM 549 CG LEU A 41 -5.951 9.585 1.412 1.00 1.40 C ATOM 550 CD1 LEU A 41 -4.935 9.769 2.527 1.00 2.44 C ATOM 551 CD2 LEU A 41 -5.880 10.745 0.428 1.00 1.58 C ATOM 0 H LEU A 41 -4.166 6.669 2.195 1.00 0.84 H new ATOM 0 HA LEU A 41 -7.072 7.167 1.958 1.00 0.82 H new ATOM 0 HB2 LEU A 41 -4.674 8.185 0.409 1.00 0.93 H new ATOM 0 HB3 LEU A 41 -6.298 8.268 -0.244 1.00 0.93 H new ATOM 0 HG LEU A 41 -6.945 9.567 1.859 1.00 1.40 H new ATOM 0 HD11 LEU A 41 -5.114 10.719 3.030 1.00 2.44 H new ATOM 0 HD12 LEU A 41 -5.032 8.955 3.245 1.00 2.44 H new ATOM 0 HD13 LEU A 41 -3.929 9.765 2.107 1.00 2.44 H new ATOM 0 HD21 LEU A 41 -6.042 11.683 0.959 1.00 1.58 H new ATOM 0 HD22 LEU A 41 -4.898 10.761 -0.046 1.00 1.58 H new ATOM 0 HD23 LEU A 41 -6.649 10.623 -0.335 1.00 1.58 H new ATOM 563 N CYS A 42 -5.789 4.648 0.997 1.00 0.70 N ATOM 564 CA CYS A 42 -5.862 3.429 0.200 1.00 0.72 C ATOM 565 C CYS A 42 -7.279 3.212 -0.315 1.00 0.80 C ATOM 566 O CYS A 42 -7.492 2.993 -1.507 1.00 0.90 O ATOM 567 CB CYS A 42 -5.419 2.226 1.036 1.00 0.74 C ATOM 568 SG CYS A 42 -5.715 0.624 0.250 1.00 1.36 S ATOM 0 H CYS A 42 -5.370 4.524 1.919 1.00 0.70 H new ATOM 0 HA CYS A 42 -5.193 3.534 -0.654 1.00 0.72 H new ATOM 0 HB2 CYS A 42 -4.355 2.321 1.252 1.00 0.74 H new ATOM 0 HB3 CYS A 42 -5.942 2.251 1.992 1.00 0.74 H new ATOM 0 HG CYS A 42 -5.304 -0.327 1.035 1.00 1.36 H new ATOM 574 N ALA A 43 -8.242 3.290 0.601 1.00 0.80 N ATOM 575 CA ALA A 43 -9.651 3.104 0.266 1.00 0.88 C ATOM 576 C ALA A 43 -10.519 3.207 1.513 1.00 0.91 C ATOM 577 O ALA A 43 -11.574 2.577 1.594 1.00 1.00 O ATOM 578 CB ALA A 43 -9.862 1.750 -0.391 1.00 0.93 C ATOM 0 H ALA A 43 -8.070 3.482 1.588 1.00 0.80 H new ATOM 0 HA ALA A 43 -9.941 3.891 -0.430 1.00 0.88 H new ATOM 0 HB1 ALA A 43 -10.917 1.625 -0.635 1.00 0.93 H new ATOM 0 HB2 ALA A 43 -9.269 1.692 -1.304 1.00 0.93 H new ATOM 0 HB3 ALA A 43 -9.552 0.961 0.294 1.00 0.93 H new ATOM 584 N PHE A 44 -10.066 4.000 2.482 1.00 0.88 N ATOM 585 CA PHE A 44 -10.780 4.167 3.737 1.00 0.96 C ATOM 586 C PHE A 44 -10.684 2.861 4.499 1.00 0.98 C ATOM 587 O PHE A 44 -11.416 2.607 5.456 1.00 1.08 O ATOM 588 CB PHE A 44 -12.244 4.558 3.497 1.00 1.09 C ATOM 589 CG PHE A 44 -12.960 5.027 4.734 1.00 1.35 C ATOM 590 CD1 PHE A 44 -12.637 6.241 5.319 1.00 1.56 C ATOM 591 CD2 PHE A 44 -13.954 4.252 5.311 1.00 2.14 C ATOM 592 CE1 PHE A 44 -13.293 6.673 6.456 1.00 2.50 C ATOM 593 CE2 PHE A 44 -14.612 4.680 6.448 1.00 3.17 C ATOM 594 CZ PHE A 44 -14.281 5.893 7.021 1.00 3.34 C ATOM 0 H PHE A 44 -9.202 4.538 2.417 1.00 0.88 H new ATOM 0 HA PHE A 44 -10.333 4.975 4.316 1.00 0.96 H new ATOM 0 HB2 PHE A 44 -12.281 5.348 2.746 1.00 1.09 H new ATOM 0 HB3 PHE A 44 -12.776 3.701 3.084 1.00 1.09 H new ATOM 0 HD1 PHE A 44 -11.864 6.856 4.882 1.00 1.56 H new ATOM 0 HD2 PHE A 44 -14.217 3.303 4.867 1.00 2.14 H new ATOM 0 HE1 PHE A 44 -13.032 7.621 6.902 1.00 2.50 H new ATOM 0 HE2 PHE A 44 -15.384 4.067 6.889 1.00 3.17 H new ATOM 0 HZ PHE A 44 -14.795 6.230 7.909 1.00 3.34 H new ATOM 604 N GLU A 45 -9.744 2.037 4.047 1.00 0.92 N ATOM 605 CA GLU A 45 -9.507 0.735 4.637 1.00 0.99 C ATOM 606 C GLU A 45 -8.712 0.870 5.929 1.00 0.97 C ATOM 607 O GLU A 45 -9.124 0.381 6.980 1.00 1.07 O ATOM 608 CB GLU A 45 -8.758 -0.155 3.642 1.00 1.00 C ATOM 609 CG GLU A 45 -8.666 -1.612 4.063 1.00 1.10 C ATOM 610 CD GLU A 45 -10.025 -2.232 4.323 1.00 1.50 C ATOM 611 OE1 GLU A 45 -10.628 -2.763 3.367 1.00 1.51 O ATOM 612 OE2 GLU A 45 -10.487 -2.185 5.482 1.00 2.12 O ATOM 0 H GLU A 45 -9.129 2.257 3.263 1.00 0.92 H new ATOM 0 HA GLU A 45 -10.467 0.276 4.873 1.00 0.99 H new ATOM 0 HB2 GLU A 45 -9.255 -0.098 2.674 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -7.750 0.238 3.506 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -8.155 -2.179 3.285 1.00 1.10 H new ATOM 0 HG3 GLU A 45 -8.058 -1.688 4.964 1.00 1.10 H new ATOM 619 N ASP A 46 -7.569 1.541 5.836 1.00 0.88 N ATOM 620 CA ASP A 46 -6.714 1.759 6.995 1.00 0.88 C ATOM 621 C ASP A 46 -6.560 3.252 7.256 1.00 0.92 C ATOM 622 O ASP A 46 -5.569 3.695 7.837 1.00 1.04 O ATOM 623 CB ASP A 46 -5.342 1.115 6.780 1.00 0.89 C ATOM 624 CG ASP A 46 -4.533 1.033 8.060 1.00 1.08 C ATOM 625 OD1 ASP A 46 -4.794 0.120 8.871 1.00 1.25 O ATOM 626 OD2 ASP A 46 -3.636 1.883 8.251 1.00 1.46 O ATOM 0 H ASP A 46 -7.214 1.943 4.969 1.00 0.88 H new ATOM 0 HA ASP A 46 -7.180 1.294 7.864 1.00 0.88 H new ATOM 0 HB2 ASP A 46 -5.474 0.113 6.373 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -4.786 1.690 6.039 1.00 0.89 H new ATOM 631 N ALA A 47 -7.547 4.026 6.810 1.00 0.92 N ATOM 632 CA ALA A 47 -7.533 5.471 6.997 1.00 1.08 C ATOM 633 C ALA A 47 -7.470 5.840 8.478 1.00 1.29 C ATOM 634 O ALA A 47 -7.054 6.942 8.835 1.00 1.56 O ATOM 635 CB ALA A 47 -8.759 6.097 6.350 1.00 1.03 C ATOM 0 H ALA A 47 -8.367 3.674 6.316 1.00 0.92 H new ATOM 0 HA ALA A 47 -6.637 5.863 6.516 1.00 1.08 H new ATOM 0 HB1 ALA A 47 -8.737 7.177 6.497 1.00 1.03 H new ATOM 0 HB2 ALA A 47 -8.760 5.876 5.283 1.00 1.03 H new ATOM 0 HB3 ALA A 47 -9.660 5.687 6.806 1.00 1.03 H new ATOM 641 N ASP A 48 -7.888 4.911 9.335 1.00 1.28 N ATOM 642 CA ASP A 48 -7.879 5.141 10.777 1.00 1.56 C ATOM 643 C ASP A 48 -6.483 4.927 11.354 1.00 1.69 C ATOM 644 O ASP A 48 -6.238 5.215 12.524 1.00 2.01 O ATOM 645 CB ASP A 48 -8.877 4.210 11.469 1.00 1.64 C ATOM 646 CG ASP A 48 -10.297 4.420 10.980 1.00 1.85 C ATOM 647 OD1 ASP A 48 -11.012 5.256 11.572 1.00 1.99 O ATOM 648 OD2 ASP A 48 -10.694 3.749 10.003 1.00 2.25 O ATOM 0 H ASP A 48 -8.236 3.994 9.056 1.00 1.28 H new ATOM 0 HA ASP A 48 -8.172 6.175 10.956 1.00 1.56 H new ATOM 0 HB2 ASP A 48 -8.585 3.174 11.295 1.00 1.64 H new ATOM 0 HB3 ASP A 48 -8.838 4.375 12.546 1.00 1.64 H new ATOM 653 N HIS A 49 -5.578 4.426 10.509 1.00 1.50 N ATOM 654 CA HIS A 49 -4.190 4.156 10.895 1.00 1.64 C ATOM 655 C HIS A 49 -4.083 3.631 12.326 1.00 0.88 C ATOM 656 O HIS A 49 -3.955 4.402 13.279 1.00 1.32 O ATOM 657 CB HIS A 49 -3.315 5.405 10.708 1.00 2.44 C ATOM 658 CG HIS A 49 -3.848 6.640 11.369 1.00 3.38 C ATOM 659 ND1 HIS A 49 -3.540 6.994 12.666 1.00 4.27 N ATOM 660 CD2 HIS A 49 -4.668 7.611 10.902 1.00 3.89 C ATOM 661 CE1 HIS A 49 -4.148 8.127 12.969 1.00 5.11 C ATOM 662 NE2 HIS A 49 -4.840 8.522 11.915 1.00 4.87 N ATOM 0 H HIS A 49 -5.787 4.196 9.537 1.00 1.50 H new ATOM 0 HA HIS A 49 -3.821 3.372 10.234 1.00 1.64 H new ATOM 0 HB2 HIS A 49 -2.320 5.198 11.101 1.00 2.44 H new ATOM 0 HB3 HIS A 49 -3.203 5.598 9.641 1.00 2.44 H new ATOM 0 HD1 HIS A 49 -2.936 6.463 13.294 1.00 4.27 H new ATOM 0 HD2 HIS A 49 -5.106 7.660 9.916 1.00 3.89 H new ATOM 0 HE1 HIS A 49 -4.089 8.642 13.916 1.00 5.11 H new ATOM 671 N ARG A 50 -4.131 2.310 12.466 1.00 0.70 N ATOM 672 CA ARG A 50 -4.042 1.674 13.777 1.00 1.26 C ATOM 673 C ARG A 50 -2.720 2.010 14.463 1.00 0.98 C ATOM 674 O ARG A 50 -2.698 2.686 15.491 1.00 0.90 O ATOM 675 CB ARG A 50 -4.190 0.158 13.641 1.00 2.27 C ATOM 676 CG ARG A 50 -5.506 -0.274 13.010 1.00 2.89 C ATOM 677 CD ARG A 50 -6.697 0.124 13.868 1.00 3.75 C ATOM 678 NE ARG A 50 -7.965 -0.270 13.260 1.00 4.32 N ATOM 679 CZ ARG A 50 -9.149 0.183 13.662 1.00 5.26 C ATOM 680 NH1 ARG A 50 -9.227 1.045 14.668 1.00 5.76 N ATOM 681 NH2 ARG A 50 -10.256 -0.225 13.058 1.00 5.96 N ATOM 0 H ARG A 50 -4.231 1.658 11.688 1.00 0.70 H new ATOM 0 HA ARG A 50 -4.854 2.059 14.394 1.00 1.26 H new ATOM 0 HB2 ARG A 50 -3.366 -0.226 13.040 1.00 2.27 H new ATOM 0 HB3 ARG A 50 -4.104 -0.297 14.628 1.00 2.27 H new ATOM 0 HG2 ARG A 50 -5.602 0.177 12.022 1.00 2.89 H new ATOM 0 HG3 ARG A 50 -5.504 -1.355 12.868 1.00 2.89 H new ATOM 0 HD2 ARG A 50 -6.607 -0.339 14.851 1.00 3.75 H new ATOM 0 HD3 ARG A 50 -6.689 1.203 14.022 1.00 3.75 H new ATOM 0 HE ARG A 50 -7.941 -0.930 12.483 1.00 4.32 H new ATOM 0 HH11 ARG A 50 -8.377 1.362 15.135 1.00 5.76 H new ATOM 0 HH12 ARG A 50 -10.137 1.391 14.974 1.00 5.76 H new ATOM 0 HH21 ARG A 50 -10.200 -0.887 12.284 1.00 5.96 H new ATOM 0 HH22 ARG A 50 -11.164 0.123 13.367 1.00 5.96 H new ATOM 695 N THR A 51 -1.619 1.535 13.885 1.00 0.87 N ATOM 696 CA THR A 51 -0.294 1.786 14.443 1.00 0.69 C ATOM 697 C THR A 51 0.757 1.823 13.339 1.00 0.61 C ATOM 698 O THR A 51 0.434 1.653 12.166 1.00 0.59 O ATOM 699 CB THR A 51 0.093 0.711 15.478 1.00 0.75 C ATOM 700 OG1 THR A 51 -1.087 0.111 16.024 1.00 0.99 O ATOM 701 CG2 THR A 51 0.919 1.316 16.602 1.00 0.92 C ATOM 0 H THR A 51 -1.619 0.975 13.032 1.00 0.87 H new ATOM 0 HA THR A 51 -0.331 2.755 14.942 1.00 0.69 H new ATOM 0 HB THR A 51 0.690 -0.048 14.973 1.00 0.75 H new ATOM 0 HG1 THR A 51 -1.067 -0.855 15.863 1.00 0.99 H new ATOM 0 HG21 THR A 51 1.180 0.539 17.320 1.00 0.92 H new ATOM 0 HG22 THR A 51 1.830 1.751 16.191 1.00 0.92 H new ATOM 0 HG23 THR A 51 0.340 2.092 17.102 1.00 0.92 H new ATOM 709 N TYR A 52 2.013 2.052 13.713 1.00 0.58 N ATOM 710 CA TYR A 52 3.096 2.113 12.736 1.00 0.55 C ATOM 711 C TYR A 52 3.301 0.769 12.032 1.00 0.47 C ATOM 712 O TYR A 52 3.414 0.720 10.804 1.00 0.45 O ATOM 713 CB TYR A 52 4.400 2.610 13.383 1.00 0.59 C ATOM 714 CG TYR A 52 5.074 1.654 14.354 1.00 0.55 C ATOM 715 CD1 TYR A 52 4.389 1.093 15.427 1.00 0.53 C ATOM 716 CD2 TYR A 52 6.422 1.341 14.207 1.00 0.56 C ATOM 717 CE1 TYR A 52 5.023 0.248 16.319 1.00 0.53 C ATOM 718 CE2 TYR A 52 7.061 0.494 15.092 1.00 0.56 C ATOM 719 CZ TYR A 52 6.359 -0.048 16.147 1.00 0.54 C ATOM 720 OH TYR A 52 6.994 -0.888 17.033 1.00 0.58 O ATOM 0 H TYR A 52 2.305 2.198 14.679 1.00 0.58 H new ATOM 0 HA TYR A 52 2.806 2.835 11.973 1.00 0.55 H new ATOM 0 HB2 TYR A 52 5.108 2.847 12.589 1.00 0.59 H new ATOM 0 HB3 TYR A 52 4.188 3.541 13.910 1.00 0.59 H new ATOM 0 HD1 TYR A 52 3.343 1.322 15.566 1.00 0.53 H new ATOM 0 HD2 TYR A 52 6.979 1.768 13.386 1.00 0.56 H new ATOM 0 HE1 TYR A 52 4.475 -0.178 17.146 1.00 0.53 H new ATOM 0 HE2 TYR A 52 8.106 0.258 14.958 1.00 0.56 H new ATOM 0 HH TYR A 52 7.932 -0.994 16.769 1.00 0.58 H new ATOM 730 N VAL A 53 3.336 -0.321 12.796 1.00 0.44 N ATOM 731 CA VAL A 53 3.518 -1.646 12.211 1.00 0.41 C ATOM 732 C VAL A 53 2.212 -2.166 11.622 1.00 0.41 C ATOM 733 O VAL A 53 2.210 -2.823 10.581 1.00 0.40 O ATOM 734 CB VAL A 53 4.049 -2.666 13.239 1.00 0.43 C ATOM 735 CG1 VAL A 53 4.176 -4.047 12.609 1.00 0.44 C ATOM 736 CG2 VAL A 53 5.387 -2.211 13.791 1.00 0.46 C ATOM 0 H VAL A 53 3.242 -0.313 13.812 1.00 0.44 H new ATOM 0 HA VAL A 53 4.259 -1.536 11.419 1.00 0.41 H new ATOM 0 HB VAL A 53 3.336 -2.729 14.061 1.00 0.43 H new ATOM 0 HG11 VAL A 53 4.552 -4.752 13.350 1.00 0.44 H new ATOM 0 HG12 VAL A 53 3.199 -4.378 12.257 1.00 0.44 H new ATOM 0 HG13 VAL A 53 4.868 -4.001 11.768 1.00 0.44 H new ATOM 0 HG21 VAL A 53 5.749 -2.941 14.515 1.00 0.46 H new ATOM 0 HG22 VAL A 53 6.105 -2.121 12.976 1.00 0.46 H new ATOM 0 HG23 VAL A 53 5.269 -1.243 14.279 1.00 0.46 H new ATOM 746 N ASP A 54 1.101 -1.874 12.290 1.00 0.45 N ATOM 747 CA ASP A 54 -0.208 -2.310 11.815 1.00 0.50 C ATOM 748 C ASP A 54 -0.512 -1.687 10.457 1.00 0.49 C ATOM 749 O ASP A 54 -0.973 -2.365 9.537 1.00 0.51 O ATOM 750 CB ASP A 54 -1.296 -1.933 12.824 1.00 0.58 C ATOM 751 CG ASP A 54 -1.163 -2.697 14.127 1.00 0.63 C ATOM 752 OD1 ASP A 54 -0.320 -2.307 14.962 1.00 0.65 O ATOM 753 OD2 ASP A 54 -1.903 -3.687 14.312 1.00 0.71 O ATOM 0 H ASP A 54 1.080 -1.339 13.158 1.00 0.45 H new ATOM 0 HA ASP A 54 -0.193 -3.395 11.708 1.00 0.50 H new ATOM 0 HB2 ASP A 54 -1.246 -0.863 13.026 1.00 0.58 H new ATOM 0 HB3 ASP A 54 -2.276 -2.130 12.389 1.00 0.58 H new ATOM 758 N LEU A 55 -0.245 -0.391 10.342 1.00 0.49 N ATOM 759 CA LEU A 55 -0.474 0.330 9.098 1.00 0.52 C ATOM 760 C LEU A 55 0.452 -0.199 8.011 1.00 0.46 C ATOM 761 O LEU A 55 0.009 -0.533 6.909 1.00 0.48 O ATOM 762 CB LEU A 55 -0.255 1.832 9.309 1.00 0.60 C ATOM 763 CG LEU A 55 -0.391 2.703 8.056 1.00 0.86 C ATOM 764 CD1 LEU A 55 -0.951 4.069 8.421 1.00 1.37 C ATOM 765 CD2 LEU A 55 0.953 2.855 7.358 1.00 1.69 C ATOM 0 H LEU A 55 0.131 0.182 11.098 1.00 0.49 H new ATOM 0 HA LEU A 55 -1.505 0.174 8.782 1.00 0.52 H new ATOM 0 HB2 LEU A 55 -0.969 2.184 10.054 1.00 0.60 H new ATOM 0 HB3 LEU A 55 0.741 1.981 9.727 1.00 0.60 H new ATOM 0 HG LEU A 55 -1.081 2.212 7.370 1.00 0.86 H new ATOM 0 HD11 LEU A 55 -1.042 4.677 7.521 1.00 1.37 H new ATOM 0 HD12 LEU A 55 -1.933 3.949 8.879 1.00 1.37 H new ATOM 0 HD13 LEU A 55 -0.280 4.561 9.125 1.00 1.37 H new ATOM 0 HD21 LEU A 55 0.834 3.477 6.471 1.00 1.69 H new ATOM 0 HD22 LEU A 55 1.665 3.324 8.037 1.00 1.69 H new ATOM 0 HD23 LEU A 55 1.324 1.873 7.065 1.00 1.69 H new ATOM 777 N LYS A 56 1.744 -0.278 8.326 1.00 0.45 N ATOM 778 CA LYS A 56 2.722 -0.779 7.374 1.00 0.48 C ATOM 779 C LYS A 56 2.374 -2.210 6.980 1.00 0.44 C ATOM 780 O LYS A 56 2.709 -2.662 5.886 1.00 0.47 O ATOM 781 CB LYS A 56 4.135 -0.704 7.971 1.00 0.53 C ATOM 782 CG LYS A 56 4.591 -1.981 8.662 1.00 0.84 C ATOM 783 CD LYS A 56 5.333 -2.897 7.703 1.00 1.59 C ATOM 784 CE LYS A 56 6.704 -2.344 7.358 1.00 2.49 C ATOM 785 NZ LYS A 56 7.584 -2.248 8.556 1.00 3.41 N ATOM 0 H LYS A 56 2.132 -0.002 9.228 1.00 0.45 H new ATOM 0 HA LYS A 56 2.700 -0.157 6.479 1.00 0.48 H new ATOM 0 HB2 LYS A 56 4.841 -0.463 7.176 1.00 0.53 H new ATOM 0 HB3 LYS A 56 4.171 0.116 8.688 1.00 0.53 H new ATOM 0 HG2 LYS A 56 5.239 -1.730 9.502 1.00 0.84 H new ATOM 0 HG3 LYS A 56 3.726 -2.504 9.071 1.00 0.84 H new ATOM 0 HD2 LYS A 56 5.440 -3.885 8.150 1.00 1.59 H new ATOM 0 HD3 LYS A 56 4.749 -3.021 6.791 1.00 1.59 H new ATOM 0 HE2 LYS A 56 7.176 -2.983 6.612 1.00 2.49 H new ATOM 0 HE3 LYS A 56 6.594 -1.357 6.909 1.00 2.49 H new ATOM 0 HZ1 LYS A 56 8.435 -1.699 8.319 1.00 3.41 H new ATOM 0 HZ2 LYS A 56 7.071 -1.775 9.327 1.00 3.41 H new ATOM 0 HZ3 LYS A 56 7.862 -3.203 8.860 1.00 3.41 H new ATOM 799 N ASP A 57 1.701 -2.916 7.885 1.00 0.42 N ATOM 800 CA ASP A 57 1.291 -4.290 7.634 1.00 0.44 C ATOM 801 C ASP A 57 0.278 -4.330 6.502 1.00 0.43 C ATOM 802 O ASP A 57 0.415 -5.108 5.558 1.00 0.46 O ATOM 803 CB ASP A 57 0.684 -4.907 8.896 1.00 0.49 C ATOM 804 CG ASP A 57 0.472 -6.402 8.766 1.00 1.12 C ATOM 805 OD1 ASP A 57 -0.618 -6.811 8.312 1.00 2.08 O ATOM 806 OD2 ASP A 57 1.396 -7.165 9.119 1.00 0.98 O ATOM 0 H ASP A 57 1.429 -2.556 8.800 1.00 0.42 H new ATOM 0 HA ASP A 57 2.170 -4.869 7.350 1.00 0.44 H new ATOM 0 HB2 ASP A 57 1.338 -4.708 9.745 1.00 0.49 H new ATOM 0 HB3 ASP A 57 -0.270 -4.425 9.110 1.00 0.49 H new ATOM 811 N LYS A 58 -0.740 -3.482 6.609 1.00 0.43 N ATOM 812 CA LYS A 58 -1.773 -3.400 5.586 1.00 0.46 C ATOM 813 C LYS A 58 -1.143 -3.070 4.239 1.00 0.45 C ATOM 814 O LYS A 58 -1.654 -3.454 3.186 1.00 0.48 O ATOM 815 CB LYS A 58 -2.808 -2.338 5.958 1.00 0.51 C ATOM 816 CG LYS A 58 -3.526 -2.616 7.269 1.00 1.15 C ATOM 817 CD LYS A 58 -4.367 -3.882 7.190 1.00 1.80 C ATOM 818 CE LYS A 58 -5.090 -4.154 8.500 1.00 2.25 C ATOM 819 NZ LYS A 58 -6.008 -3.040 8.869 1.00 3.01 N ATOM 0 H LYS A 58 -0.870 -2.843 7.393 1.00 0.43 H new ATOM 0 HA LYS A 58 -2.276 -4.364 5.517 1.00 0.46 H new ATOM 0 HB2 LYS A 58 -2.313 -1.369 6.023 1.00 0.51 H new ATOM 0 HB3 LYS A 58 -3.545 -2.266 5.158 1.00 0.51 H new ATOM 0 HG2 LYS A 58 -2.795 -2.714 8.071 1.00 1.15 H new ATOM 0 HG3 LYS A 58 -4.165 -1.769 7.521 1.00 1.15 H new ATOM 0 HD2 LYS A 58 -5.095 -3.787 6.384 1.00 1.80 H new ATOM 0 HD3 LYS A 58 -3.728 -4.730 6.943 1.00 1.80 H new ATOM 0 HE2 LYS A 58 -5.659 -5.080 8.415 1.00 2.25 H new ATOM 0 HE3 LYS A 58 -4.359 -4.300 9.295 1.00 2.25 H new ATOM 0 HZ1 LYS A 58 -6.650 -3.355 9.624 1.00 3.01 H new ATOM 0 HZ2 LYS A 58 -5.451 -2.228 9.204 1.00 3.01 H new ATOM 0 HZ3 LYS A 58 -6.565 -2.759 8.037 1.00 3.01 H new ATOM 833 N TRP A 59 -0.022 -2.355 4.289 1.00 0.42 N ATOM 834 CA TRP A 59 0.708 -1.977 3.089 1.00 0.42 C ATOM 835 C TRP A 59 1.440 -3.188 2.513 1.00 0.39 C ATOM 836 O TRP A 59 1.364 -3.462 1.315 1.00 0.43 O ATOM 837 CB TRP A 59 1.693 -0.850 3.424 1.00 0.44 C ATOM 838 CG TRP A 59 2.904 -0.803 2.542 1.00 0.36 C ATOM 839 CD1 TRP A 59 4.068 -1.491 2.720 1.00 0.28 C ATOM 840 CD2 TRP A 59 3.075 -0.021 1.356 1.00 0.47 C ATOM 841 NE1 TRP A 59 4.955 -1.187 1.715 1.00 0.34 N ATOM 842 CE2 TRP A 59 4.368 -0.286 0.865 1.00 0.45 C ATOM 843 CE3 TRP A 59 2.263 0.877 0.660 1.00 0.64 C ATOM 844 CZ2 TRP A 59 4.865 0.315 -0.289 1.00 0.58 C ATOM 845 CZ3 TRP A 59 2.756 1.474 -0.484 1.00 0.75 C ATOM 846 CH2 TRP A 59 4.046 1.191 -0.949 1.00 0.72 C ATOM 0 H TRP A 59 0.401 -2.025 5.157 1.00 0.42 H new ATOM 0 HA TRP A 59 0.007 -1.618 2.335 1.00 0.42 H new ATOM 0 HB2 TRP A 59 1.171 0.104 3.355 1.00 0.44 H new ATOM 0 HB3 TRP A 59 2.016 -0.962 4.459 1.00 0.44 H new ATOM 0 HD1 TRP A 59 4.264 -2.175 3.532 1.00 0.28 H new ATOM 0 HE1 TRP A 59 5.896 -1.569 1.618 1.00 0.34 H new ATOM 0 HE3 TRP A 59 1.266 1.101 1.010 1.00 0.64 H new ATOM 0 HZ2 TRP A 59 5.860 0.098 -0.650 1.00 0.58 H new ATOM 0 HZ3 TRP A 59 2.136 2.171 -1.029 1.00 0.75 H new ATOM 0 HH2 TRP A 59 4.402 1.674 -1.847 1.00 0.72 H new ATOM 857 N LYS A 60 2.153 -3.903 3.381 1.00 0.36 N ATOM 858 CA LYS A 60 2.897 -5.092 2.976 1.00 0.35 C ATOM 859 C LYS A 60 1.969 -6.113 2.332 1.00 0.36 C ATOM 860 O LYS A 60 2.379 -6.875 1.457 1.00 0.38 O ATOM 861 CB LYS A 60 3.583 -5.720 4.189 1.00 0.37 C ATOM 862 CG LYS A 60 4.482 -6.895 3.841 1.00 0.91 C ATOM 863 CD LYS A 60 4.877 -7.679 5.079 1.00 1.11 C ATOM 864 CE LYS A 60 3.799 -8.675 5.470 1.00 0.88 C ATOM 865 NZ LYS A 60 4.057 -9.280 6.806 1.00 1.68 N ATOM 0 H LYS A 60 2.231 -3.678 4.373 1.00 0.36 H new ATOM 0 HA LYS A 60 3.650 -4.792 2.248 1.00 0.35 H new ATOM 0 HB2 LYS A 60 4.175 -4.958 4.695 1.00 0.37 H new ATOM 0 HB3 LYS A 60 2.822 -6.053 4.894 1.00 0.37 H new ATOM 0 HG2 LYS A 60 3.967 -7.553 3.141 1.00 0.91 H new ATOM 0 HG3 LYS A 60 5.378 -6.532 3.338 1.00 0.91 H new ATOM 0 HD2 LYS A 60 5.813 -8.207 4.894 1.00 1.11 H new ATOM 0 HD3 LYS A 60 5.057 -6.991 5.905 1.00 1.11 H new ATOM 0 HE2 LYS A 60 2.830 -8.176 5.479 1.00 0.88 H new ATOM 0 HE3 LYS A 60 3.744 -9.463 4.719 1.00 0.88 H new ATOM 0 HZ1 LYS A 60 3.199 -9.763 7.140 1.00 1.68 H new ATOM 0 HZ2 LYS A 60 4.835 -9.967 6.732 1.00 1.68 H new ATOM 0 HZ3 LYS A 60 4.318 -8.533 7.481 1.00 1.68 H new ATOM 879 N THR A 61 0.719 -6.121 2.776 1.00 0.36 N ATOM 880 CA THR A 61 -0.275 -7.044 2.247 1.00 0.40 C ATOM 881 C THR A 61 -0.876 -6.487 0.968 1.00 0.46 C ATOM 882 O THR A 61 -1.331 -7.231 0.102 1.00 0.53 O ATOM 883 CB THR A 61 -1.399 -7.308 3.269 1.00 0.42 C ATOM 884 OG1 THR A 61 -0.837 -7.760 4.506 1.00 1.20 O ATOM 885 CG2 THR A 61 -2.380 -8.348 2.745 1.00 1.00 C ATOM 0 H THR A 61 0.369 -5.497 3.503 1.00 0.36 H new ATOM 0 HA THR A 61 0.228 -7.988 2.037 1.00 0.40 H new ATOM 0 HB THR A 61 -1.938 -6.374 3.430 1.00 0.42 H new ATOM 0 HG1 THR A 61 -0.410 -7.007 4.966 1.00 1.20 H new ATOM 0 HG21 THR A 61 -3.163 -8.515 3.485 1.00 1.00 H new ATOM 0 HG22 THR A 61 -2.828 -7.991 1.818 1.00 1.00 H new ATOM 0 HG23 THR A 61 -1.853 -9.283 2.557 1.00 1.00 H new ATOM 893 N LEU A 62 -0.866 -5.167 0.862 1.00 0.45 N ATOM 894 CA LEU A 62 -1.395 -4.486 -0.308 1.00 0.53 C ATOM 895 C LEU A 62 -0.544 -4.806 -1.534 1.00 0.53 C ATOM 896 O LEU A 62 -1.048 -4.871 -2.655 1.00 0.63 O ATOM 897 CB LEU A 62 -1.434 -2.976 -0.041 1.00 0.57 C ATOM 898 CG LEU A 62 -1.030 -2.073 -1.208 1.00 0.60 C ATOM 899 CD1 LEU A 62 -2.162 -1.965 -2.219 1.00 0.99 C ATOM 900 CD2 LEU A 62 -0.635 -0.701 -0.689 1.00 1.34 C ATOM 0 H LEU A 62 -0.494 -4.543 1.578 1.00 0.45 H new ATOM 0 HA LEU A 62 -2.409 -4.833 -0.507 1.00 0.53 H new ATOM 0 HB2 LEU A 62 -2.445 -2.708 0.265 1.00 0.57 H new ATOM 0 HB3 LEU A 62 -0.778 -2.760 0.802 1.00 0.57 H new ATOM 0 HG LEU A 62 -0.171 -2.514 -1.713 1.00 0.60 H new ATOM 0 HD11 LEU A 62 -1.855 -1.319 -3.041 1.00 0.99 H new ATOM 0 HD12 LEU A 62 -2.400 -2.956 -2.606 1.00 0.99 H new ATOM 0 HD13 LEU A 62 -3.043 -1.543 -1.735 1.00 0.99 H new ATOM 0 HD21 LEU A 62 -0.349 -0.064 -1.526 1.00 1.34 H new ATOM 0 HD22 LEU A 62 -1.479 -0.253 -0.165 1.00 1.34 H new ATOM 0 HD23 LEU A 62 0.207 -0.800 -0.004 1.00 1.34 H new ATOM 912 N VAL A 63 0.751 -5.006 -1.305 1.00 0.45 N ATOM 913 CA VAL A 63 1.680 -5.323 -2.382 1.00 0.46 C ATOM 914 C VAL A 63 1.786 -6.831 -2.597 1.00 0.48 C ATOM 915 O VAL A 63 1.776 -7.303 -3.734 1.00 0.56 O ATOM 916 CB VAL A 63 3.083 -4.744 -2.107 1.00 0.43 C ATOM 917 CG1 VAL A 63 3.049 -3.225 -2.146 1.00 0.48 C ATOM 918 CG2 VAL A 63 3.614 -5.231 -0.767 1.00 0.37 C ATOM 0 H VAL A 63 1.180 -4.954 -0.381 1.00 0.45 H new ATOM 0 HA VAL A 63 1.282 -4.863 -3.287 1.00 0.46 H new ATOM 0 HB VAL A 63 3.756 -5.095 -2.889 1.00 0.43 H new ATOM 0 HG11 VAL A 63 4.047 -2.834 -1.950 1.00 0.48 H new ATOM 0 HG12 VAL A 63 2.716 -2.894 -3.130 1.00 0.48 H new ATOM 0 HG13 VAL A 63 2.359 -2.857 -1.386 1.00 0.48 H new ATOM 0 HG21 VAL A 63 4.605 -4.810 -0.594 1.00 0.37 H new ATOM 0 HG22 VAL A 63 2.940 -4.913 0.029 1.00 0.37 H new ATOM 0 HG23 VAL A 63 3.678 -6.319 -0.775 1.00 0.37 H new ATOM 928 N HIS A 64 1.880 -7.582 -1.501 1.00 0.45 N ATOM 929 CA HIS A 64 1.990 -9.036 -1.579 1.00 0.50 C ATOM 930 C HIS A 64 0.769 -9.630 -2.274 1.00 0.56 C ATOM 931 O HIS A 64 0.854 -10.672 -2.924 1.00 0.60 O ATOM 932 CB HIS A 64 2.167 -9.634 -0.171 1.00 0.55 C ATOM 933 CG HIS A 64 1.027 -10.495 0.298 1.00 0.67 C ATOM 934 ND1 HIS A 64 1.118 -11.867 0.411 1.00 1.20 N ATOM 935 CD2 HIS A 64 -0.227 -10.173 0.694 1.00 0.97 C ATOM 936 CE1 HIS A 64 -0.030 -12.348 0.854 1.00 1.52 C ATOM 937 NE2 HIS A 64 -0.862 -11.341 1.032 1.00 1.26 N ATOM 0 H HIS A 64 1.882 -7.208 -0.552 1.00 0.45 H new ATOM 0 HA HIS A 64 2.870 -9.288 -2.171 1.00 0.50 H new ATOM 0 HB2 HIS A 64 3.081 -10.227 -0.156 1.00 0.55 H new ATOM 0 HB3 HIS A 64 2.304 -8.819 0.540 1.00 0.55 H new ATOM 0 HD2 HIS A 64 -0.649 -9.180 0.736 1.00 0.97 H new ATOM 0 HE1 HIS A 64 -0.250 -13.389 1.039 1.00 1.52 H new ATOM 0 HE2 HIS A 64 -1.822 -11.418 1.367 1.00 1.26 H new ATOM 946 N THR A 65 -0.367 -8.954 -2.131 1.00 0.59 N ATOM 947 CA THR A 65 -1.612 -9.410 -2.740 1.00 0.68 C ATOM 948 C THR A 65 -1.683 -9.026 -4.217 1.00 0.66 C ATOM 949 O THR A 65 -2.409 -9.649 -4.994 1.00 0.71 O ATOM 950 CB THR A 65 -2.842 -8.831 -2.012 1.00 0.78 C ATOM 951 OG1 THR A 65 -4.022 -9.546 -2.400 1.00 1.47 O ATOM 952 CG2 THR A 65 -3.019 -7.351 -2.324 1.00 1.74 C ATOM 0 H THR A 65 -0.451 -8.088 -1.598 1.00 0.59 H new ATOM 0 HA THR A 65 -1.623 -10.496 -2.651 1.00 0.68 H new ATOM 0 HB THR A 65 -2.681 -8.941 -0.940 1.00 0.78 H new ATOM 0 HG1 THR A 65 -4.799 -9.174 -1.932 1.00 1.47 H new ATOM 0 HG21 THR A 65 -3.894 -6.970 -1.797 1.00 1.74 H new ATOM 0 HG22 THR A 65 -2.134 -6.803 -2.001 1.00 1.74 H new ATOM 0 HG23 THR A 65 -3.156 -7.219 -3.397 1.00 1.74 H new ATOM 960 N ALA A 66 -0.932 -7.997 -4.596 1.00 0.61 N ATOM 961 CA ALA A 66 -0.916 -7.525 -5.975 1.00 0.62 C ATOM 962 C ALA A 66 -0.508 -8.635 -6.940 1.00 0.64 C ATOM 963 O ALA A 66 -1.359 -9.303 -7.527 1.00 0.63 O ATOM 964 CB ALA A 66 0.013 -6.329 -6.116 1.00 0.64 C ATOM 0 H ALA A 66 -0.325 -7.473 -3.965 1.00 0.61 H new ATOM 0 HA ALA A 66 -1.929 -7.216 -6.233 1.00 0.62 H new ATOM 0 HB1 ALA A 66 0.014 -5.989 -7.152 1.00 0.64 H new ATOM 0 HB2 ALA A 66 -0.332 -5.522 -5.469 1.00 0.64 H new ATOM 0 HB3 ALA A 66 1.024 -6.618 -5.828 1.00 0.64 H new ATOM 970 N LYS A 67 0.798 -8.827 -7.099 1.00 0.70 N ATOM 971 CA LYS A 67 1.313 -9.857 -7.994 1.00 0.76 C ATOM 972 C LYS A 67 2.755 -10.212 -7.647 1.00 0.87 C ATOM 973 O LYS A 67 3.476 -10.786 -8.464 1.00 0.98 O ATOM 974 CB LYS A 67 1.223 -9.387 -9.448 1.00 0.80 C ATOM 975 CG LYS A 67 1.991 -8.101 -9.720 1.00 1.12 C ATOM 976 CD LYS A 67 1.846 -7.660 -11.170 1.00 1.86 C ATOM 977 CE LYS A 67 2.523 -8.631 -12.123 1.00 2.50 C ATOM 978 NZ LYS A 67 2.391 -8.197 -13.542 1.00 3.49 N ATOM 0 H LYS A 67 1.517 -8.284 -6.621 1.00 0.70 H new ATOM 0 HA LYS A 67 0.702 -10.751 -7.870 1.00 0.76 H new ATOM 0 HB2 LYS A 67 1.604 -10.173 -10.100 1.00 0.80 H new ATOM 0 HB3 LYS A 67 0.175 -9.237 -9.709 1.00 0.80 H new ATOM 0 HG2 LYS A 67 1.627 -7.313 -9.061 1.00 1.12 H new ATOM 0 HG3 LYS A 67 3.046 -8.250 -9.488 1.00 1.12 H new ATOM 0 HD2 LYS A 67 0.789 -7.580 -11.422 1.00 1.86 H new ATOM 0 HD3 LYS A 67 2.279 -6.667 -11.294 1.00 1.86 H new ATOM 0 HE2 LYS A 67 3.579 -8.716 -11.866 1.00 2.50 H new ATOM 0 HE3 LYS A 67 2.085 -9.622 -12.004 1.00 2.50 H new ATOM 0 HZ1 LYS A 67 2.865 -8.885 -14.161 1.00 3.49 H new ATOM 0 HZ2 LYS A 67 1.384 -8.140 -13.795 1.00 3.49 H new ATOM 0 HZ3 LYS A 67 2.831 -7.262 -13.662 1.00 3.49 H new ATOM 992 N ILE A 68 3.167 -9.870 -6.431 1.00 0.88 N ATOM 993 CA ILE A 68 4.524 -10.153 -5.977 1.00 1.02 C ATOM 994 C ILE A 68 4.777 -11.658 -5.930 1.00 1.10 C ATOM 995 O ILE A 68 5.920 -12.110 -6.021 1.00 1.25 O ATOM 996 CB ILE A 68 4.782 -9.542 -4.582 1.00 1.02 C ATOM 997 CG1 ILE A 68 4.579 -8.023 -4.622 1.00 1.02 C ATOM 998 CG2 ILE A 68 6.184 -9.883 -4.093 1.00 1.19 C ATOM 999 CD1 ILE A 68 5.486 -7.306 -5.601 1.00 1.20 C ATOM 0 H ILE A 68 2.582 -9.397 -5.743 1.00 0.88 H new ATOM 0 HA ILE A 68 5.210 -9.698 -6.692 1.00 1.02 H new ATOM 0 HB ILE A 68 4.066 -9.970 -3.881 1.00 1.02 H new ATOM 0 HG12 ILE A 68 3.542 -7.812 -4.882 1.00 1.02 H new ATOM 0 HG13 ILE A 68 4.746 -7.618 -3.624 1.00 1.02 H new ATOM 0 HG21 ILE A 68 6.343 -9.442 -3.109 1.00 1.19 H new ATOM 0 HG22 ILE A 68 6.293 -10.966 -4.028 1.00 1.19 H new ATOM 0 HG23 ILE A 68 6.920 -9.485 -4.792 1.00 1.19 H new ATOM 0 HD11 ILE A 68 5.281 -6.236 -5.570 1.00 1.20 H new ATOM 0 HD12 ILE A 68 6.527 -7.484 -5.330 1.00 1.20 H new ATOM 0 HD13 ILE A 68 5.304 -7.681 -6.608 1.00 1.20 H new ATOM 1011 N SER A 69 3.701 -12.429 -5.799 1.00 1.06 N ATOM 1012 CA SER A 69 3.796 -13.885 -5.740 1.00 1.22 C ATOM 1013 C SER A 69 4.759 -14.330 -4.638 1.00 1.28 C ATOM 1014 O SER A 69 5.815 -14.898 -4.918 1.00 1.38 O ATOM 1015 CB SER A 69 4.251 -14.444 -7.091 1.00 1.37 C ATOM 1016 OG SER A 69 4.337 -15.858 -7.056 1.00 1.79 O ATOM 0 H SER A 69 2.749 -12.068 -5.731 1.00 1.06 H new ATOM 0 HA SER A 69 2.806 -14.277 -5.508 1.00 1.22 H new ATOM 0 HB2 SER A 69 3.551 -14.138 -7.869 1.00 1.37 H new ATOM 0 HB3 SER A 69 5.222 -14.024 -7.353 1.00 1.37 H new ATOM 0 HG SER A 69 4.990 -16.129 -6.378 1.00 1.79 H new ATOM 1022 N PRO A 70 4.406 -14.070 -3.366 1.00 1.28 N ATOM 1023 CA PRO A 70 5.241 -14.448 -2.223 1.00 1.37 C ATOM 1024 C PRO A 70 5.117 -15.928 -1.881 1.00 1.52 C ATOM 1025 O PRO A 70 5.776 -16.421 -0.966 1.00 1.58 O ATOM 1026 CB PRO A 70 4.682 -13.589 -1.091 1.00 1.41 C ATOM 1027 CG PRO A 70 3.245 -13.408 -1.436 1.00 1.31 C ATOM 1028 CD PRO A 70 3.169 -13.385 -2.941 1.00 1.27 C ATOM 0 HA PRO A 70 6.302 -14.291 -2.417 1.00 1.37 H new ATOM 0 HB2 PRO A 70 4.800 -14.080 -0.125 1.00 1.41 H new ATOM 0 HB3 PRO A 70 5.199 -12.631 -1.027 1.00 1.41 H new ATOM 0 HG2 PRO A 70 2.643 -14.220 -1.029 1.00 1.31 H new ATOM 0 HG3 PRO A 70 2.858 -12.481 -1.013 1.00 1.31 H new ATOM 0 HD2 PRO A 70 2.281 -13.901 -3.305 1.00 1.27 H new ATOM 0 HD3 PRO A 70 3.124 -12.365 -3.324 1.00 1.27 H new ATOM 1036 N GLN A 71 4.267 -16.632 -2.624 1.00 1.70 N ATOM 1037 CA GLN A 71 4.055 -18.056 -2.400 1.00 1.92 C ATOM 1038 C GLN A 71 5.327 -18.844 -2.694 1.00 2.30 C ATOM 1039 O GLN A 71 5.730 -19.704 -1.912 1.00 2.73 O ATOM 1040 CB GLN A 71 2.908 -18.566 -3.274 1.00 2.05 C ATOM 1041 CG GLN A 71 2.591 -20.039 -3.066 1.00 2.42 C ATOM 1042 CD GLN A 71 1.451 -20.523 -3.943 1.00 2.67 C ATOM 1043 OE1 GLN A 71 0.702 -21.424 -3.563 1.00 3.37 O ATOM 1044 NE2 GLN A 71 1.315 -19.931 -5.125 1.00 2.79 N ATOM 0 H GLN A 71 3.715 -16.238 -3.386 1.00 1.70 H new ATOM 0 HA GLN A 71 3.793 -18.201 -1.352 1.00 1.92 H new ATOM 0 HB2 GLN A 71 2.014 -17.978 -3.065 1.00 2.05 H new ATOM 0 HB3 GLN A 71 3.160 -18.402 -4.322 1.00 2.05 H new ATOM 0 HG2 GLN A 71 3.482 -20.631 -3.276 1.00 2.42 H new ATOM 0 HG3 GLN A 71 2.336 -20.207 -2.020 1.00 2.42 H new ATOM 0 HE21 GLN A 71 1.958 -19.188 -5.400 1.00 2.79 H new ATOM 0 HE22 GLN A 71 0.568 -20.219 -5.757 1.00 2.79 H new ATOM 1053 N GLN A 72 5.952 -18.542 -3.830 1.00 2.34 N ATOM 1054 CA GLN A 72 7.179 -19.221 -4.235 1.00 2.83 C ATOM 1055 C GLN A 72 6.979 -20.732 -4.255 1.00 2.74 C ATOM 1056 O GLN A 72 7.919 -21.495 -4.026 1.00 3.23 O ATOM 1057 CB GLN A 72 8.325 -18.855 -3.288 1.00 3.39 C ATOM 1058 CG GLN A 72 8.627 -17.365 -3.247 1.00 3.27 C ATOM 1059 CD GLN A 72 9.046 -16.817 -4.597 1.00 3.83 C ATOM 1060 OE1 GLN A 72 9.635 -17.525 -5.414 1.00 4.29 O ATOM 1061 NE2 GLN A 72 8.742 -15.547 -4.838 1.00 4.19 N ATOM 0 H GLN A 72 5.628 -17.831 -4.486 1.00 2.34 H new ATOM 0 HA GLN A 72 7.434 -18.893 -5.243 1.00 2.83 H new ATOM 0 HB2 GLN A 72 8.077 -19.195 -2.282 1.00 3.39 H new ATOM 0 HB3 GLN A 72 9.223 -19.391 -3.594 1.00 3.39 H new ATOM 0 HG2 GLN A 72 7.744 -16.829 -2.900 1.00 3.27 H new ATOM 0 HG3 GLN A 72 9.419 -17.179 -2.522 1.00 3.27 H new ATOM 0 HE21 GLN A 72 8.253 -14.997 -4.132 1.00 4.19 H new ATOM 0 HE22 GLN A 72 8.998 -15.122 -5.729 1.00 4.19 H new ATOM 1070 N ARG A 73 5.749 -21.154 -4.534 1.00 2.44 N ATOM 1071 CA ARG A 73 5.410 -22.574 -4.585 1.00 2.80 C ATOM 1072 C ARG A 73 5.634 -23.232 -3.227 1.00 3.10 C ATOM 1073 O ARG A 73 5.809 -22.550 -2.217 1.00 3.65 O ATOM 1074 CB ARG A 73 6.243 -23.285 -5.657 1.00 3.27 C ATOM 1075 CG ARG A 73 6.047 -22.723 -7.057 1.00 3.95 C ATOM 1076 CD ARG A 73 4.633 -22.956 -7.561 1.00 4.58 C ATOM 1077 NE ARG A 73 4.442 -22.438 -8.914 1.00 4.58 N ATOM 1078 CZ ARG A 73 3.325 -22.601 -9.618 1.00 5.28 C ATOM 1079 NH1 ARG A 73 2.302 -23.269 -9.100 1.00 5.94 N ATOM 1080 NH2 ARG A 73 3.231 -22.099 -10.840 1.00 5.61 N ATOM 0 H ARG A 73 4.966 -20.530 -4.729 1.00 2.44 H new ATOM 0 HA ARG A 73 4.355 -22.662 -4.843 1.00 2.80 H new ATOM 0 HB2 ARG A 73 7.298 -23.214 -5.391 1.00 3.27 H new ATOM 0 HB3 ARG A 73 5.986 -24.344 -5.661 1.00 3.27 H new ATOM 0 HG2 ARG A 73 6.261 -21.654 -7.054 1.00 3.95 H new ATOM 0 HG3 ARG A 73 6.758 -23.188 -7.739 1.00 3.95 H new ATOM 0 HD2 ARG A 73 4.415 -24.024 -7.547 1.00 4.58 H new ATOM 0 HD3 ARG A 73 3.924 -22.477 -6.886 1.00 4.58 H new ATOM 0 HE ARG A 73 5.210 -21.922 -9.344 1.00 4.58 H new ATOM 0 HH11 ARG A 73 2.371 -23.659 -8.160 1.00 5.94 H new ATOM 0 HH12 ARG A 73 1.447 -23.393 -9.642 1.00 5.94 H new ATOM 0 HH21 ARG A 73 4.016 -21.587 -11.243 1.00 5.61 H new ATOM 0 HH22 ARG A 73 2.374 -22.225 -11.379 1.00 5.61 H new ATOM 1094 N ARG A 74 5.625 -24.561 -3.208 1.00 3.30 N ATOM 1095 CA ARG A 74 5.824 -25.311 -1.973 1.00 3.96 C ATOM 1096 C ARG A 74 7.297 -25.323 -1.570 1.00 3.74 C ATOM 1097 O ARG A 74 7.685 -26.012 -0.626 1.00 4.30 O ATOM 1098 CB ARG A 74 5.313 -26.744 -2.133 1.00 4.80 C ATOM 1099 CG ARG A 74 5.965 -27.499 -3.281 1.00 5.10 C ATOM 1100 CD ARG A 74 5.392 -28.899 -3.422 1.00 6.17 C ATOM 1101 NE ARG A 74 5.994 -29.628 -4.535 1.00 6.97 N ATOM 1102 CZ ARG A 74 5.572 -30.817 -4.952 1.00 8.07 C ATOM 1103 NH1 ARG A 74 4.548 -31.412 -4.352 1.00 8.51 N ATOM 1104 NH2 ARG A 74 6.173 -31.416 -5.972 1.00 8.91 N ATOM 0 H ARG A 74 5.482 -25.141 -4.035 1.00 3.30 H new ATOM 0 HA ARG A 74 5.257 -24.817 -1.184 1.00 3.96 H new ATOM 0 HB2 ARG A 74 5.488 -27.289 -1.205 1.00 4.80 H new ATOM 0 HB3 ARG A 74 4.235 -26.721 -2.291 1.00 4.80 H new ATOM 0 HG2 ARG A 74 5.817 -26.949 -4.210 1.00 5.10 H new ATOM 0 HG3 ARG A 74 7.040 -27.560 -3.114 1.00 5.10 H new ATOM 0 HD2 ARG A 74 5.554 -29.452 -2.497 1.00 6.17 H new ATOM 0 HD3 ARG A 74 4.314 -28.836 -3.571 1.00 6.17 H new ATOM 0 HE ARG A 74 6.783 -29.200 -5.020 1.00 6.97 H new ATOM 0 HH11 ARG A 74 4.082 -30.956 -3.568 1.00 8.51 H new ATOM 0 HH12 ARG A 74 4.228 -32.325 -4.676 1.00 8.51 H new ATOM 0 HH21 ARG A 74 6.960 -30.964 -6.437 1.00 8.91 H new ATOM 0 HH22 ARG A 74 5.848 -32.329 -6.291 1.00 8.91 H new ATOM 1118 N GLY A 75 8.110 -24.557 -2.291 1.00 3.39 N ATOM 1119 CA GLY A 75 9.529 -24.494 -1.992 1.00 3.56 C ATOM 1120 C GLY A 75 9.811 -23.868 -0.641 1.00 3.35 C ATOM 1121 O GLY A 75 10.314 -24.532 0.266 1.00 3.71 O ATOM 0 H GLY A 75 7.812 -23.979 -3.077 1.00 3.39 H new ATOM 0 HA2 GLY A 75 9.947 -25.500 -2.017 1.00 3.56 H new ATOM 0 HA3 GLY A 75 10.035 -23.919 -2.768 1.00 3.56 H new ATOM 1125 N GLU A 76 9.485 -22.584 -0.504 1.00 3.11 N ATOM 1126 CA GLU A 76 9.707 -21.869 0.747 1.00 3.02 C ATOM 1127 C GLU A 76 8.493 -21.995 1.669 1.00 2.39 C ATOM 1128 O GLU A 76 7.355 -22.025 1.203 1.00 2.73 O ATOM 1129 CB GLU A 76 10.002 -20.392 0.473 1.00 3.96 C ATOM 1130 CG GLU A 76 11.363 -20.145 -0.160 1.00 4.50 C ATOM 1131 CD GLU A 76 11.493 -20.768 -1.537 1.00 5.40 C ATOM 1132 OE1 GLU A 76 11.133 -20.099 -2.528 1.00 5.92 O ATOM 1133 OE2 GLU A 76 11.957 -21.925 -1.623 1.00 5.85 O ATOM 0 H GLU A 76 9.067 -22.020 -1.244 1.00 3.11 H new ATOM 0 HA GLU A 76 10.568 -22.317 1.243 1.00 3.02 H new ATOM 0 HB2 GLU A 76 9.229 -19.992 -0.183 1.00 3.96 H new ATOM 0 HB3 GLU A 76 9.942 -19.839 1.410 1.00 3.96 H new ATOM 0 HG2 GLU A 76 11.534 -19.071 -0.235 1.00 4.50 H new ATOM 0 HG3 GLU A 76 12.140 -20.547 0.491 1.00 4.50 H new ATOM 1140 N PRO A 77 8.722 -22.074 2.995 1.00 1.80 N ATOM 1141 CA PRO A 77 7.636 -22.200 3.974 1.00 1.56 C ATOM 1142 C PRO A 77 6.845 -20.906 4.146 1.00 1.36 C ATOM 1143 O PRO A 77 5.831 -20.693 3.480 1.00 1.70 O ATOM 1144 CB PRO A 77 8.365 -22.559 5.269 1.00 1.72 C ATOM 1145 CG PRO A 77 9.731 -21.983 5.111 1.00 1.90 C ATOM 1146 CD PRO A 77 10.049 -22.051 3.642 1.00 1.99 C ATOM 0 HA PRO A 77 6.897 -22.939 3.664 1.00 1.56 H new ATOM 0 HB2 PRO A 77 7.857 -22.140 6.138 1.00 1.72 H new ATOM 0 HB3 PRO A 77 8.405 -23.639 5.414 1.00 1.72 H new ATOM 0 HG2 PRO A 77 9.763 -20.954 5.469 1.00 1.90 H new ATOM 0 HG3 PRO A 77 10.460 -22.546 5.693 1.00 1.90 H new ATOM 0 HD2 PRO A 77 10.636 -21.191 3.320 1.00 1.99 H new ATOM 0 HD3 PRO A 77 10.628 -22.942 3.399 1.00 1.99 H new ATOM 1154 N VAL A 78 7.315 -20.047 5.045 1.00 1.09 N ATOM 1155 CA VAL A 78 6.653 -18.774 5.312 1.00 0.93 C ATOM 1156 C VAL A 78 7.163 -17.678 4.372 1.00 0.74 C ATOM 1157 O VAL A 78 8.371 -17.548 4.167 1.00 0.70 O ATOM 1158 CB VAL A 78 6.873 -18.329 6.772 1.00 1.02 C ATOM 1159 CG1 VAL A 78 6.112 -17.046 7.067 1.00 1.77 C ATOM 1160 CG2 VAL A 78 6.460 -19.434 7.733 1.00 1.82 C ATOM 0 H VAL A 78 8.154 -20.210 5.602 1.00 1.09 H new ATOM 0 HA VAL A 78 5.587 -18.925 5.140 1.00 0.93 H new ATOM 0 HB VAL A 78 7.935 -18.130 6.913 1.00 1.02 H new ATOM 0 HG11 VAL A 78 6.282 -16.752 8.103 1.00 1.77 H new ATOM 0 HG12 VAL A 78 6.461 -16.255 6.403 1.00 1.77 H new ATOM 0 HG13 VAL A 78 5.046 -17.210 6.907 1.00 1.77 H new ATOM 0 HG21 VAL A 78 6.622 -19.103 8.759 1.00 1.82 H new ATOM 0 HG22 VAL A 78 5.405 -19.666 7.589 1.00 1.82 H new ATOM 0 HG23 VAL A 78 7.057 -20.325 7.541 1.00 1.82 H new ATOM 1170 N PRO A 79 6.252 -16.872 3.788 1.00 0.69 N ATOM 1171 CA PRO A 79 6.627 -15.787 2.876 1.00 0.56 C ATOM 1172 C PRO A 79 7.293 -14.626 3.606 1.00 0.53 C ATOM 1173 O PRO A 79 6.622 -13.805 4.230 1.00 0.59 O ATOM 1174 CB PRO A 79 5.292 -15.333 2.264 1.00 0.69 C ATOM 1175 CG PRO A 79 4.290 -16.365 2.667 1.00 1.05 C ATOM 1176 CD PRO A 79 4.793 -16.955 3.950 1.00 0.88 C ATOM 0 HA PRO A 79 7.352 -16.121 2.134 1.00 0.56 H new ATOM 0 HB2 PRO A 79 5.008 -14.347 2.632 1.00 0.69 H new ATOM 0 HB3 PRO A 79 5.364 -15.260 1.179 1.00 0.69 H new ATOM 0 HG2 PRO A 79 3.305 -15.919 2.803 1.00 1.05 H new ATOM 0 HG3 PRO A 79 4.190 -17.132 1.899 1.00 1.05 H new ATOM 0 HD2 PRO A 79 4.448 -16.393 4.818 1.00 0.88 H new ATOM 0 HD3 PRO A 79 4.457 -17.983 4.083 1.00 0.88 H new ATOM 1184 N GLN A 80 8.619 -14.577 3.538 1.00 0.50 N ATOM 1185 CA GLN A 80 9.385 -13.516 4.182 1.00 0.52 C ATOM 1186 C GLN A 80 9.721 -12.412 3.187 1.00 0.45 C ATOM 1187 O GLN A 80 9.993 -11.275 3.571 1.00 0.47 O ATOM 1188 CB GLN A 80 10.672 -14.081 4.780 1.00 0.60 C ATOM 1189 CG GLN A 80 10.451 -14.905 6.037 1.00 1.11 C ATOM 1190 CD GLN A 80 11.743 -15.442 6.618 1.00 1.46 C ATOM 1191 OE1 GLN A 80 12.185 -16.537 6.272 1.00 2.18 O ATOM 1192 NE2 GLN A 80 12.359 -14.671 7.507 1.00 2.00 N ATOM 0 H GLN A 80 9.188 -15.263 3.041 1.00 0.50 H new ATOM 0 HA GLN A 80 8.775 -13.093 4.980 1.00 0.52 H new ATOM 0 HB2 GLN A 80 11.168 -14.700 4.033 1.00 0.60 H new ATOM 0 HB3 GLN A 80 11.347 -13.257 5.010 1.00 0.60 H new ATOM 0 HG2 GLN A 80 9.948 -14.292 6.785 1.00 1.11 H new ATOM 0 HG3 GLN A 80 9.786 -15.738 5.808 1.00 1.11 H new ATOM 0 HE21 GLN A 80 11.957 -13.770 7.766 1.00 2.00 H new ATOM 0 HE22 GLN A 80 13.234 -14.980 7.931 1.00 2.00 H new ATOM 1201 N GLU A 81 9.700 -12.767 1.909 1.00 0.40 N ATOM 1202 CA GLU A 81 10.002 -11.825 0.836 1.00 0.40 C ATOM 1203 C GLU A 81 9.204 -10.532 0.982 1.00 0.36 C ATOM 1204 O GLU A 81 9.737 -9.445 0.766 1.00 0.40 O ATOM 1205 CB GLU A 81 9.714 -12.460 -0.527 1.00 0.45 C ATOM 1206 CG GLU A 81 10.679 -13.574 -0.904 1.00 0.54 C ATOM 1207 CD GLU A 81 10.562 -14.784 0.002 1.00 1.18 C ATOM 1208 OE1 GLU A 81 9.710 -15.654 -0.276 1.00 1.53 O ATOM 1209 OE2 GLU A 81 11.321 -14.863 0.992 1.00 1.84 O ATOM 0 H GLU A 81 9.475 -13.708 1.587 1.00 0.40 H new ATOM 0 HA GLU A 81 11.062 -11.579 0.905 1.00 0.40 H new ATOM 0 HB2 GLU A 81 8.699 -12.857 -0.525 1.00 0.45 H new ATOM 0 HB3 GLU A 81 9.751 -11.685 -1.293 1.00 0.45 H new ATOM 0 HG2 GLU A 81 10.492 -13.878 -1.934 1.00 0.54 H new ATOM 0 HG3 GLU A 81 11.700 -13.193 -0.864 1.00 0.54 H new ATOM 1216 N LEU A 82 7.929 -10.653 1.343 1.00 0.34 N ATOM 1217 CA LEU A 82 7.073 -9.480 1.508 1.00 0.34 C ATOM 1218 C LEU A 82 7.616 -8.534 2.581 1.00 0.34 C ATOM 1219 O LEU A 82 7.525 -7.311 2.446 1.00 0.45 O ATOM 1220 CB LEU A 82 5.626 -9.891 1.835 1.00 0.37 C ATOM 1221 CG LEU A 82 5.447 -11.161 2.676 1.00 0.75 C ATOM 1222 CD1 LEU A 82 5.975 -10.965 4.086 1.00 1.25 C ATOM 1223 CD2 LEU A 82 3.981 -11.565 2.711 1.00 1.50 C ATOM 0 H LEU A 82 7.468 -11.544 1.526 1.00 0.34 H new ATOM 0 HA LEU A 82 7.072 -8.945 0.558 1.00 0.34 H new ATOM 0 HB2 LEU A 82 5.147 -9.064 2.360 1.00 0.37 H new ATOM 0 HB3 LEU A 82 5.089 -10.026 0.896 1.00 0.37 H new ATOM 0 HG LEU A 82 6.024 -11.960 2.210 1.00 0.75 H new ATOM 0 HD11 LEU A 82 5.834 -11.882 4.658 1.00 1.25 H new ATOM 0 HD12 LEU A 82 7.037 -10.721 4.046 1.00 1.25 H new ATOM 0 HD13 LEU A 82 5.434 -10.151 4.567 1.00 1.25 H new ATOM 0 HD21 LEU A 82 3.867 -12.468 3.311 1.00 1.50 H new ATOM 0 HD22 LEU A 82 3.392 -10.760 3.151 1.00 1.50 H new ATOM 0 HD23 LEU A 82 3.632 -11.757 1.696 1.00 1.50 H new ATOM 1235 N LEU A 83 8.196 -9.099 3.635 1.00 0.32 N ATOM 1236 CA LEU A 83 8.746 -8.302 4.728 1.00 0.36 C ATOM 1237 C LEU A 83 10.081 -7.674 4.341 1.00 0.32 C ATOM 1238 O LEU A 83 10.345 -6.513 4.653 1.00 0.32 O ATOM 1239 CB LEU A 83 8.928 -9.166 5.979 1.00 0.47 C ATOM 1240 CG LEU A 83 7.664 -9.380 6.814 1.00 0.58 C ATOM 1241 CD1 LEU A 83 7.882 -10.486 7.837 1.00 0.69 C ATOM 1242 CD2 LEU A 83 7.261 -8.087 7.510 1.00 0.74 C ATOM 0 H LEU A 83 8.298 -10.107 3.756 1.00 0.32 H new ATOM 0 HA LEU A 83 8.038 -7.501 4.940 1.00 0.36 H new ATOM 0 HB2 LEU A 83 9.312 -10.140 5.675 1.00 0.47 H new ATOM 0 HB3 LEU A 83 9.688 -8.706 6.611 1.00 0.47 H new ATOM 0 HG LEU A 83 6.857 -9.681 6.146 1.00 0.58 H new ATOM 0 HD11 LEU A 83 6.973 -10.625 8.422 1.00 0.69 H new ATOM 0 HD12 LEU A 83 8.127 -11.415 7.322 1.00 0.69 H new ATOM 0 HD13 LEU A 83 8.702 -10.211 8.500 1.00 0.69 H new ATOM 0 HD21 LEU A 83 6.360 -8.257 8.100 1.00 0.74 H new ATOM 0 HD22 LEU A 83 8.068 -7.760 8.166 1.00 0.74 H new ATOM 0 HD23 LEU A 83 7.066 -7.317 6.763 1.00 0.74 H new ATOM 1254 N ASN A 84 10.916 -8.447 3.658 1.00 0.34 N ATOM 1255 CA ASN A 84 12.230 -7.970 3.236 1.00 0.35 C ATOM 1256 C ASN A 84 12.115 -6.871 2.181 1.00 0.32 C ATOM 1257 O ASN A 84 12.871 -5.900 2.200 1.00 0.33 O ATOM 1258 CB ASN A 84 13.060 -9.134 2.690 1.00 0.44 C ATOM 1259 CG ASN A 84 14.523 -8.777 2.509 1.00 0.51 C ATOM 1260 OD1 ASN A 84 14.868 -7.626 2.243 1.00 1.12 O ATOM 1261 ND2 ASN A 84 15.396 -9.769 2.652 1.00 1.33 N ATOM 0 H ASN A 84 10.708 -9.407 3.384 1.00 0.34 H new ATOM 0 HA ASN A 84 12.728 -7.547 4.108 1.00 0.35 H new ATOM 0 HB2 ASN A 84 12.979 -9.983 3.369 1.00 0.44 H new ATOM 0 HB3 ASN A 84 12.647 -9.452 1.733 1.00 0.44 H new ATOM 0 HD21 ASN A 84 16.394 -9.590 2.541 1.00 1.33 H new ATOM 0 HD22 ASN A 84 15.068 -10.709 2.873 1.00 1.33 H new ATOM 1268 N ARG A 85 11.161 -7.023 1.268 1.00 0.35 N ATOM 1269 CA ARG A 85 10.967 -6.050 0.196 1.00 0.39 C ATOM 1270 C ARG A 85 10.316 -4.767 0.708 1.00 0.37 C ATOM 1271 O ARG A 85 10.640 -3.673 0.241 1.00 0.41 O ATOM 1272 CB ARG A 85 10.123 -6.655 -0.928 1.00 0.47 C ATOM 1273 CG ARG A 85 8.673 -6.905 -0.546 1.00 0.47 C ATOM 1274 CD ARG A 85 7.912 -7.579 -1.676 1.00 0.62 C ATOM 1275 NE ARG A 85 8.007 -6.822 -2.921 1.00 1.35 N ATOM 1276 CZ ARG A 85 8.578 -7.290 -4.029 1.00 1.52 C ATOM 1277 NH1 ARG A 85 9.103 -8.508 -4.046 1.00 1.32 N ATOM 1278 NH2 ARG A 85 8.625 -6.538 -5.119 1.00 2.40 N ATOM 0 H ARG A 85 10.511 -7.809 1.248 1.00 0.35 H new ATOM 0 HA ARG A 85 11.952 -5.792 -0.194 1.00 0.39 H new ATOM 0 HB2 ARG A 85 10.151 -5.988 -1.789 1.00 0.47 H new ATOM 0 HB3 ARG A 85 10.574 -7.597 -1.240 1.00 0.47 H new ATOM 0 HG2 ARG A 85 8.632 -7.530 0.346 1.00 0.47 H new ATOM 0 HG3 ARG A 85 8.193 -5.959 -0.295 1.00 0.47 H new ATOM 0 HD2 ARG A 85 8.305 -8.584 -1.831 1.00 0.62 H new ATOM 0 HD3 ARG A 85 6.864 -7.687 -1.395 1.00 0.62 H new ATOM 0 HE ARG A 85 7.614 -5.881 -2.943 1.00 1.35 H new ATOM 0 HH11 ARG A 85 9.070 -9.089 -3.208 1.00 1.32 H new ATOM 0 HH12 ARG A 85 9.540 -8.863 -4.897 1.00 1.32 H new ATOM 0 HH21 ARG A 85 8.224 -5.600 -5.109 1.00 2.40 H new ATOM 0 HH22 ARG A 85 9.063 -6.897 -5.968 1.00 2.40 H new ATOM 1292 N VAL A 86 9.401 -4.898 1.664 1.00 0.35 N ATOM 1293 CA VAL A 86 8.717 -3.735 2.219 1.00 0.37 C ATOM 1294 C VAL A 86 9.640 -2.931 3.129 1.00 0.32 C ATOM 1295 O VAL A 86 9.681 -1.703 3.055 1.00 0.31 O ATOM 1296 CB VAL A 86 7.446 -4.144 2.992 1.00 0.46 C ATOM 1297 CG1 VAL A 86 6.951 -3.007 3.875 1.00 0.51 C ATOM 1298 CG2 VAL A 86 6.362 -4.578 2.020 1.00 0.55 C ATOM 0 H VAL A 86 9.118 -5.791 2.068 1.00 0.35 H new ATOM 0 HA VAL A 86 8.424 -3.107 1.378 1.00 0.37 H new ATOM 0 HB VAL A 86 7.694 -4.984 3.641 1.00 0.46 H new ATOM 0 HG11 VAL A 86 6.054 -3.324 4.408 1.00 0.51 H new ATOM 0 HG12 VAL A 86 7.726 -2.741 4.594 1.00 0.51 H new ATOM 0 HG13 VAL A 86 6.718 -2.141 3.256 1.00 0.51 H new ATOM 0 HG21 VAL A 86 5.469 -4.865 2.575 1.00 0.55 H new ATOM 0 HG22 VAL A 86 6.123 -3.753 1.349 1.00 0.55 H new ATOM 0 HG23 VAL A 86 6.715 -5.428 1.437 1.00 0.55 H new ATOM 1308 N LEU A 87 10.377 -3.625 3.989 1.00 0.31 N ATOM 1309 CA LEU A 87 11.298 -2.966 4.905 1.00 0.31 C ATOM 1310 C LEU A 87 12.423 -2.284 4.131 1.00 0.26 C ATOM 1311 O LEU A 87 12.928 -1.237 4.537 1.00 0.26 O ATOM 1312 CB LEU A 87 11.880 -3.975 5.896 1.00 0.37 C ATOM 1313 CG LEU A 87 11.866 -3.531 7.361 1.00 0.73 C ATOM 1314 CD1 LEU A 87 10.437 -3.438 7.880 1.00 1.24 C ATOM 1315 CD2 LEU A 87 12.682 -4.491 8.215 1.00 1.24 C ATOM 0 H LEU A 87 10.354 -4.641 4.070 1.00 0.31 H new ATOM 0 HA LEU A 87 10.745 -2.208 5.461 1.00 0.31 H new ATOM 0 HB2 LEU A 87 11.322 -4.908 5.810 1.00 0.37 H new ATOM 0 HB3 LEU A 87 12.909 -4.191 5.608 1.00 0.37 H new ATOM 0 HG LEU A 87 12.318 -2.541 7.425 1.00 0.73 H new ATOM 0 HD11 LEU A 87 10.449 -3.121 8.923 1.00 1.24 H new ATOM 0 HD12 LEU A 87 9.881 -2.713 7.286 1.00 1.24 H new ATOM 0 HD13 LEU A 87 9.958 -4.414 7.803 1.00 1.24 H new ATOM 0 HD21 LEU A 87 12.662 -4.161 9.254 1.00 1.24 H new ATOM 0 HD22 LEU A 87 12.257 -5.492 8.144 1.00 1.24 H new ATOM 0 HD23 LEU A 87 13.712 -4.508 7.860 1.00 1.24 H new ATOM 1327 N ASN A 88 12.806 -2.889 3.009 1.00 0.26 N ATOM 1328 CA ASN A 88 13.865 -2.345 2.166 1.00 0.25 C ATOM 1329 C ASN A 88 13.390 -1.088 1.451 1.00 0.23 C ATOM 1330 O ASN A 88 14.030 -0.038 1.526 1.00 0.22 O ATOM 1331 CB ASN A 88 14.312 -3.386 1.141 1.00 0.31 C ATOM 1332 CG ASN A 88 15.540 -2.946 0.368 1.00 0.39 C ATOM 1333 OD1 ASN A 88 16.672 -3.214 0.772 1.00 0.98 O ATOM 1334 ND2 ASN A 88 15.322 -2.267 -0.753 1.00 1.18 N ATOM 0 H ASN A 88 12.397 -3.757 2.663 1.00 0.26 H new ATOM 0 HA ASN A 88 14.710 -2.086 2.804 1.00 0.25 H new ATOM 0 HB2 ASN A 88 14.524 -4.326 1.651 1.00 0.31 H new ATOM 0 HB3 ASN A 88 13.497 -3.579 0.444 1.00 0.31 H new ATOM 0 HD21 ASN A 88 16.110 -1.946 -1.316 1.00 1.18 H new ATOM 0 HD22 ASN A 88 14.367 -2.067 -1.051 1.00 1.18 H new ATOM 1341 N ALA A 89 12.265 -1.208 0.753 1.00 0.24 N ATOM 1342 CA ALA A 89 11.689 -0.085 0.020 1.00 0.25 C ATOM 1343 C ALA A 89 11.487 1.118 0.933 1.00 0.22 C ATOM 1344 O ALA A 89 11.788 2.252 0.558 1.00 0.23 O ATOM 1345 CB ALA A 89 10.370 -0.493 -0.619 1.00 0.27 C ATOM 0 H ALA A 89 11.732 -2.075 0.679 1.00 0.24 H new ATOM 0 HA ALA A 89 12.387 0.201 -0.767 1.00 0.25 H new ATOM 0 HB1 ALA A 89 9.952 0.354 -1.162 1.00 0.27 H new ATOM 0 HB2 ALA A 89 10.540 -1.319 -1.310 1.00 0.27 H new ATOM 0 HB3 ALA A 89 9.672 -0.807 0.157 1.00 0.27 H new ATOM 1351 N HIS A 90 10.973 0.865 2.132 1.00 0.26 N ATOM 1352 CA HIS A 90 10.738 1.927 3.101 1.00 0.28 C ATOM 1353 C HIS A 90 12.053 2.615 3.462 1.00 0.27 C ATOM 1354 O HIS A 90 12.188 3.839 3.340 1.00 0.27 O ATOM 1355 CB HIS A 90 10.080 1.360 4.361 1.00 0.35 C ATOM 1356 CG HIS A 90 9.876 2.373 5.445 1.00 0.42 C ATOM 1357 ND1 HIS A 90 10.117 2.109 6.778 1.00 1.32 N ATOM 1358 CD2 HIS A 90 9.447 3.656 5.391 1.00 0.80 C ATOM 1359 CE1 HIS A 90 9.844 3.184 7.494 1.00 1.14 C ATOM 1360 NE2 HIS A 90 9.437 4.137 6.677 1.00 0.50 N ATOM 0 H HIS A 90 10.712 -0.066 2.455 1.00 0.26 H new ATOM 0 HA HIS A 90 10.068 2.662 2.655 1.00 0.28 H new ATOM 0 HB2 HIS A 90 9.115 0.929 4.093 1.00 0.35 H new ATOM 0 HB3 HIS A 90 10.696 0.548 4.747 1.00 0.35 H new ATOM 0 HD2 HIS A 90 9.165 4.200 4.502 1.00 0.80 H new ATOM 0 HE1 HIS A 90 9.938 3.269 8.567 1.00 1.14 H new ATOM 0 HE2 HIS A 90 9.160 5.078 6.956 1.00 0.50 H new ATOM 1369 N GLY A 91 13.019 1.812 3.906 1.00 0.29 N ATOM 1370 CA GLY A 91 14.320 2.344 4.265 1.00 0.33 C ATOM 1371 C GLY A 91 14.924 3.149 3.137 1.00 0.30 C ATOM 1372 O GLY A 91 15.643 4.118 3.370 1.00 0.34 O ATOM 0 H GLY A 91 12.922 0.803 4.023 1.00 0.29 H new ATOM 0 HA2 GLY A 91 14.225 2.972 5.151 1.00 0.33 H new ATOM 0 HA3 GLY A 91 14.989 1.524 4.526 1.00 0.33 H new ATOM 1376 N TYR A 92 14.630 2.739 1.908 1.00 0.26 N ATOM 1377 CA TYR A 92 15.129 3.428 0.725 1.00 0.26 C ATOM 1378 C TYR A 92 14.569 4.840 0.665 1.00 0.21 C ATOM 1379 O TYR A 92 15.311 5.784 0.435 1.00 0.25 O ATOM 1380 CB TYR A 92 14.760 2.639 -0.537 1.00 0.29 C ATOM 1381 CG TYR A 92 14.802 3.452 -1.811 1.00 0.29 C ATOM 1382 CD1 TYR A 92 15.987 3.626 -2.515 1.00 0.36 C ATOM 1383 CD2 TYR A 92 13.649 4.040 -2.312 1.00 0.26 C ATOM 1384 CE1 TYR A 92 16.021 4.367 -3.682 1.00 0.38 C ATOM 1385 CE2 TYR A 92 13.672 4.779 -3.478 1.00 0.30 C ATOM 1386 CZ TYR A 92 14.860 4.941 -4.158 1.00 0.35 C ATOM 1387 OH TYR A 92 14.889 5.678 -5.321 1.00 0.40 O ATOM 0 H TYR A 92 14.045 1.928 1.705 1.00 0.26 H new ATOM 0 HA TYR A 92 16.215 3.495 0.783 1.00 0.26 H new ATOM 0 HB2 TYR A 92 15.442 1.794 -0.636 1.00 0.29 H new ATOM 0 HB3 TYR A 92 13.758 2.228 -0.415 1.00 0.29 H new ATOM 0 HD1 TYR A 92 16.896 3.175 -2.145 1.00 0.36 H new ATOM 0 HD2 TYR A 92 12.717 3.917 -1.780 1.00 0.26 H new ATOM 0 HE1 TYR A 92 16.950 4.496 -4.217 1.00 0.38 H new ATOM 0 HE2 TYR A 92 12.765 5.227 -3.855 1.00 0.30 H new ATOM 0 HH TYR A 92 13.989 6.012 -5.519 1.00 0.40 H new ATOM 1397 N TRP A 93 13.262 4.980 0.875 1.00 0.17 N ATOM 1398 CA TRP A 93 12.630 6.298 0.850 1.00 0.18 C ATOM 1399 C TRP A 93 13.327 7.238 1.825 1.00 0.23 C ATOM 1400 O TRP A 93 13.859 8.281 1.434 1.00 0.28 O ATOM 1401 CB TRP A 93 11.149 6.206 1.224 1.00 0.20 C ATOM 1402 CG TRP A 93 10.355 5.269 0.368 1.00 0.21 C ATOM 1403 CD1 TRP A 93 10.594 4.934 -0.934 1.00 0.22 C ATOM 1404 CD2 TRP A 93 9.177 4.559 0.756 1.00 0.26 C ATOM 1405 NE1 TRP A 93 9.642 4.046 -1.374 1.00 0.26 N ATOM 1406 CE2 TRP A 93 8.760 3.802 -0.354 1.00 0.29 C ATOM 1407 CE3 TRP A 93 8.438 4.485 1.939 1.00 0.33 C ATOM 1408 CZ2 TRP A 93 7.635 2.984 -0.314 1.00 0.36 C ATOM 1409 CZ3 TRP A 93 7.321 3.675 1.977 1.00 0.41 C ATOM 1410 CH2 TRP A 93 6.929 2.933 0.857 1.00 0.42 C ATOM 0 H TRP A 93 12.625 4.206 1.063 1.00 0.17 H new ATOM 0 HA TRP A 93 12.718 6.686 -0.165 1.00 0.18 H new ATOM 0 HB2 TRP A 93 11.068 5.887 2.263 1.00 0.20 H new ATOM 0 HB3 TRP A 93 10.708 7.201 1.160 1.00 0.20 H new ATOM 0 HD1 TRP A 93 11.411 5.312 -1.531 1.00 0.22 H new ATOM 0 HE1 TRP A 93 9.599 3.636 -2.307 1.00 0.26 H new ATOM 0 HE3 TRP A 93 8.735 5.052 2.809 1.00 0.33 H new ATOM 0 HZ2 TRP A 93 7.330 2.410 -1.176 1.00 0.36 H new ATOM 0 HZ3 TRP A 93 6.740 3.613 2.885 1.00 0.41 H new ATOM 0 HH2 TRP A 93 6.051 2.307 0.918 1.00 0.42 H new ATOM 1421 N THR A 94 13.315 6.856 3.098 1.00 0.26 N ATOM 1422 CA THR A 94 13.942 7.660 4.142 1.00 0.35 C ATOM 1423 C THR A 94 15.412 7.923 3.834 1.00 0.37 C ATOM 1424 O THR A 94 15.910 9.029 4.044 1.00 0.45 O ATOM 1425 CB THR A 94 13.829 6.982 5.520 1.00 0.44 C ATOM 1426 OG1 THR A 94 14.474 5.701 5.490 1.00 0.44 O ATOM 1427 CG2 THR A 94 12.372 6.811 5.921 1.00 0.50 C ATOM 0 H THR A 94 12.879 5.996 3.432 1.00 0.26 H new ATOM 0 HA THR A 94 13.407 8.610 4.168 1.00 0.35 H new ATOM 0 HB THR A 94 14.320 7.619 6.256 1.00 0.44 H new ATOM 0 HG1 THR A 94 14.399 5.276 6.370 1.00 0.44 H new ATOM 0 HG21 THR A 94 12.317 6.330 6.898 1.00 0.50 H new ATOM 0 HG22 THR A 94 11.891 7.788 5.970 1.00 0.50 H new ATOM 0 HG23 THR A 94 11.862 6.192 5.183 1.00 0.50 H new ATOM 1435 N GLN A 95 16.101 6.903 3.337 1.00 0.41 N ATOM 1436 CA GLN A 95 17.515 7.029 2.998 1.00 0.52 C ATOM 1437 C GLN A 95 17.687 7.693 1.639 1.00 0.54 C ATOM 1438 O GLN A 95 18.798 8.051 1.248 1.00 0.73 O ATOM 1439 CB GLN A 95 18.196 5.659 3.002 1.00 0.56 C ATOM 1440 CG GLN A 95 18.323 5.045 4.386 1.00 0.63 C ATOM 1441 CD GLN A 95 19.173 5.882 5.325 1.00 1.26 C ATOM 1442 OE1 GLN A 95 18.949 5.895 6.536 1.00 1.76 O ATOM 1443 NE2 GLN A 95 20.155 6.583 4.772 1.00 2.24 N ATOM 0 H GLN A 95 15.705 5.980 3.160 1.00 0.41 H new ATOM 0 HA GLN A 95 17.987 7.656 3.754 1.00 0.52 H new ATOM 0 HB2 GLN A 95 17.631 4.980 2.363 1.00 0.56 H new ATOM 0 HB3 GLN A 95 19.190 5.756 2.564 1.00 0.56 H new ATOM 0 HG2 GLN A 95 17.329 4.921 4.816 1.00 0.63 H new ATOM 0 HG3 GLN A 95 18.759 4.050 4.298 1.00 0.63 H new ATOM 0 HE21 GLN A 95 20.305 6.543 3.764 1.00 2.24 H new ATOM 0 HE22 GLN A 95 20.760 7.162 5.355 1.00 2.24 H new ATOM 1452 N GLN A 96 16.579 7.856 0.922 1.00 0.74 N ATOM 1453 CA GLN A 96 16.613 8.485 -0.390 1.00 0.88 C ATOM 1454 C GLN A 96 16.573 10.000 -0.241 1.00 0.74 C ATOM 1455 O GLN A 96 17.026 10.735 -1.119 1.00 0.75 O ATOM 1456 CB GLN A 96 15.437 8.017 -1.255 1.00 1.23 C ATOM 1457 CG GLN A 96 15.391 8.668 -2.629 1.00 1.53 C ATOM 1458 CD GLN A 96 16.643 8.403 -3.446 1.00 2.48 C ATOM 1459 OE1 GLN A 96 17.047 9.229 -4.266 1.00 3.08 O ATOM 1460 NE2 GLN A 96 17.261 7.248 -3.233 1.00 3.17 N ATOM 0 H GLN A 96 15.651 7.562 1.228 1.00 0.74 H new ATOM 0 HA GLN A 96 17.540 8.193 -0.884 1.00 0.88 H new ATOM 0 HB2 GLN A 96 15.495 6.935 -1.377 1.00 1.23 H new ATOM 0 HB3 GLN A 96 14.505 8.229 -0.731 1.00 1.23 H new ATOM 0 HG2 GLN A 96 14.522 8.298 -3.173 1.00 1.53 H new ATOM 0 HG3 GLN A 96 15.259 9.744 -2.512 1.00 1.53 H new ATOM 0 HE21 GLN A 96 16.893 6.592 -2.544 1.00 3.17 H new ATOM 0 HE22 GLN A 96 18.104 7.016 -3.758 1.00 3.17 H new ATOM 1469 N GLN A 97 16.011 10.451 0.882 1.00 0.71 N ATOM 1470 CA GLN A 97 15.895 11.878 1.181 1.00 0.81 C ATOM 1471 C GLN A 97 14.888 12.545 0.252 1.00 1.04 C ATOM 1472 O GLN A 97 14.826 13.773 0.166 1.00 1.20 O ATOM 1473 CB GLN A 97 17.257 12.570 1.070 1.00 0.72 C ATOM 1474 CG GLN A 97 18.314 11.982 1.991 1.00 1.12 C ATOM 1475 CD GLN A 97 19.663 12.657 1.838 1.00 1.59 C ATOM 1476 OE1 GLN A 97 20.010 13.138 0.758 1.00 2.39 O ATOM 1477 NE2 GLN A 97 20.432 12.695 2.919 1.00 2.02 N ATOM 0 H GLN A 97 15.626 9.842 1.604 1.00 0.71 H new ATOM 0 HA GLN A 97 15.539 11.978 2.206 1.00 0.81 H new ATOM 0 HB2 GLN A 97 17.607 12.503 0.040 1.00 0.72 H new ATOM 0 HB3 GLN A 97 17.137 13.629 1.298 1.00 0.72 H new ATOM 0 HG2 GLN A 97 17.981 12.074 3.025 1.00 1.12 H new ATOM 0 HG3 GLN A 97 18.419 10.917 1.784 1.00 1.12 H new ATOM 0 HE21 GLN A 97 20.104 12.284 3.793 1.00 2.02 H new ATOM 0 HE22 GLN A 97 21.351 13.135 2.876 1.00 2.02 H new ATOM 1486 N MET A 98 14.094 11.726 -0.434 1.00 1.12 N ATOM 1487 CA MET A 98 13.081 12.227 -1.361 1.00 1.40 C ATOM 1488 C MET A 98 13.698 13.178 -2.388 1.00 1.52 C ATOM 1489 O MET A 98 12.996 13.970 -3.018 1.00 1.77 O ATOM 1490 CB MET A 98 11.965 12.936 -0.587 1.00 1.57 C ATOM 1491 CG MET A 98 10.688 13.127 -1.391 1.00 1.70 C ATOM 1492 SD MET A 98 9.386 13.936 -0.442 1.00 2.17 S ATOM 1493 CE MET A 98 8.067 13.989 -1.652 1.00 2.74 C ATOM 0 H MET A 98 14.133 10.709 -0.365 1.00 1.12 H new ATOM 0 HA MET A 98 12.659 11.377 -1.897 1.00 1.40 H new ATOM 0 HB2 MET A 98 11.736 12.361 0.311 1.00 1.57 H new ATOM 0 HB3 MET A 98 12.326 13.911 -0.258 1.00 1.57 H new ATOM 0 HG2 MET A 98 10.907 13.720 -2.279 1.00 1.70 H new ATOM 0 HG3 MET A 98 10.332 12.156 -1.736 1.00 1.70 H new ATOM 0 HE1 MET A 98 7.189 14.463 -1.213 1.00 2.74 H new ATOM 0 HE2 MET A 98 8.393 14.561 -2.520 1.00 2.74 H new ATOM 0 HE3 MET A 98 7.815 12.974 -1.960 1.00 2.74 H new ATOM 1503 N GLN A 99 15.014 13.091 -2.558 1.00 1.60 N ATOM 1504 CA GLN A 99 15.720 13.946 -3.505 1.00 1.85 C ATOM 1505 C GLN A 99 15.794 13.294 -4.883 1.00 1.32 C ATOM 1506 O GLN A 99 16.170 13.938 -5.863 1.00 1.70 O ATOM 1507 CB GLN A 99 17.132 14.250 -2.999 1.00 2.64 C ATOM 1508 CG GLN A 99 17.155 15.034 -1.696 1.00 3.49 C ATOM 1509 CD GLN A 99 18.561 15.376 -1.241 1.00 4.39 C ATOM 1510 OE1 GLN A 99 18.829 15.477 -0.044 1.00 5.00 O ATOM 1511 NE2 GLN A 99 19.468 15.560 -2.195 1.00 4.80 N ATOM 0 H GLN A 99 15.612 12.437 -2.052 1.00 1.60 H new ATOM 0 HA GLN A 99 15.163 14.879 -3.593 1.00 1.85 H new ATOM 0 HB2 GLN A 99 17.669 13.312 -2.859 1.00 2.64 H new ATOM 0 HB3 GLN A 99 17.669 14.813 -3.762 1.00 2.64 H new ATOM 0 HG2 GLN A 99 16.584 15.954 -1.821 1.00 3.49 H new ATOM 0 HG3 GLN A 99 16.658 14.453 -0.919 1.00 3.49 H new ATOM 0 HE21 GLN A 99 19.203 15.467 -3.176 1.00 4.80 H new ATOM 0 HE22 GLN A 99 20.429 15.795 -1.947 1.00 4.80 H new ATOM 1520 N GLN A 100 15.432 12.015 -4.948 1.00 1.49 N ATOM 1521 CA GLN A 100 15.454 11.272 -6.205 1.00 2.30 C ATOM 1522 C GLN A 100 16.845 11.301 -6.830 1.00 2.29 C ATOM 1523 O GLN A 100 16.992 11.198 -8.049 1.00 2.79 O ATOM 1524 CB GLN A 100 14.429 11.853 -7.184 1.00 3.25 C ATOM 1525 CG GLN A 100 12.998 11.785 -6.677 1.00 3.96 C ATOM 1526 CD GLN A 100 12.536 10.362 -6.426 1.00 5.03 C ATOM 1527 OE1 GLN A 100 12.693 9.830 -5.327 1.00 5.35 O ATOM 1528 NE2 GLN A 100 11.961 9.737 -7.449 1.00 5.86 N ATOM 0 H GLN A 100 15.120 11.471 -4.144 1.00 1.49 H new ATOM 0 HA GLN A 100 15.194 10.236 -5.990 1.00 2.30 H new ATOM 0 HB2 GLN A 100 14.684 12.893 -7.390 1.00 3.25 H new ATOM 0 HB3 GLN A 100 14.497 11.315 -8.130 1.00 3.25 H new ATOM 0 HG2 GLN A 100 12.916 12.358 -5.754 1.00 3.96 H new ATOM 0 HG3 GLN A 100 12.336 12.255 -7.404 1.00 3.96 H new ATOM 0 HE21 GLN A 100 11.851 10.216 -8.343 1.00 5.86 H new ATOM 0 HE22 GLN A 100 11.630 8.778 -7.340 1.00 5.86 H new ATOM 1537 N LEU A 101 17.864 11.436 -5.985 1.00 2.43 N ATOM 1538 CA LEU A 101 19.247 11.479 -6.450 1.00 3.14 C ATOM 1539 C LEU A 101 19.572 10.249 -7.295 1.00 3.46 C ATOM 1540 O LEU A 101 20.240 10.349 -8.324 1.00 4.15 O ATOM 1541 CB LEU A 101 20.202 11.561 -5.251 1.00 3.68 C ATOM 1542 CG LEU A 101 21.507 12.332 -5.490 1.00 4.07 C ATOM 1543 CD1 LEU A 101 22.352 11.655 -6.559 1.00 4.78 C ATOM 1544 CD2 LEU A 101 21.215 13.776 -5.877 1.00 4.64 C ATOM 0 H LEU A 101 17.757 11.518 -4.974 1.00 2.43 H new ATOM 0 HA LEU A 101 19.375 12.366 -7.070 1.00 3.14 H new ATOM 0 HB2 LEU A 101 19.673 12.028 -4.420 1.00 3.68 H new ATOM 0 HB3 LEU A 101 20.453 10.547 -4.940 1.00 3.68 H new ATOM 0 HG LEU A 101 22.073 12.331 -4.559 1.00 4.07 H new ATOM 0 HD11 LEU A 101 23.271 12.221 -6.709 1.00 4.78 H new ATOM 0 HD12 LEU A 101 22.598 10.642 -6.241 1.00 4.78 H new ATOM 0 HD13 LEU A 101 21.793 11.616 -7.494 1.00 4.78 H new ATOM 0 HD21 LEU A 101 22.153 14.305 -6.042 1.00 4.64 H new ATOM 0 HD22 LEU A 101 20.622 13.795 -6.791 1.00 4.64 H new ATOM 0 HD23 LEU A 101 20.660 14.263 -5.075 1.00 4.64 H new ATOM 1556 N GLN A 102 19.090 9.091 -6.854 1.00 3.20 N ATOM 1557 CA GLN A 102 19.327 7.843 -7.570 1.00 3.68 C ATOM 1558 C GLN A 102 18.231 7.588 -8.601 1.00 3.52 C ATOM 1559 O GLN A 102 17.049 7.524 -8.263 1.00 3.69 O ATOM 1560 CB GLN A 102 19.400 6.674 -6.585 1.00 3.98 C ATOM 1561 CG GLN A 102 19.684 5.335 -7.249 1.00 4.64 C ATOM 1562 CD GLN A 102 19.740 4.191 -6.255 1.00 5.11 C ATOM 1563 OE1 GLN A 102 20.112 4.377 -5.096 1.00 5.82 O ATOM 1564 NE2 GLN A 102 19.368 2.998 -6.704 1.00 5.03 N ATOM 0 H GLN A 102 18.534 8.991 -6.005 1.00 3.20 H new ATOM 0 HA GLN A 102 20.279 7.929 -8.095 1.00 3.68 H new ATOM 0 HB2 GLN A 102 20.178 6.878 -5.849 1.00 3.98 H new ATOM 0 HB3 GLN A 102 18.457 6.608 -6.042 1.00 3.98 H new ATOM 0 HG2 GLN A 102 18.911 5.130 -7.990 1.00 4.64 H new ATOM 0 HG3 GLN A 102 20.632 5.393 -7.784 1.00 4.64 H new ATOM 0 HE21 GLN A 102 19.067 2.889 -7.672 1.00 5.03 H new ATOM 0 HE22 GLN A 102 19.384 2.191 -6.081 1.00 5.03 H new ATOM 1573 N GLN A 103 18.632 7.444 -9.861 1.00 3.58 N ATOM 1574 CA GLN A 103 17.685 7.193 -10.942 1.00 3.51 C ATOM 1575 C GLN A 103 17.595 5.703 -11.255 1.00 3.57 C ATOM 1576 O GLN A 103 16.797 5.282 -12.091 1.00 3.56 O ATOM 1577 CB GLN A 103 18.092 7.964 -12.201 1.00 3.99 C ATOM 1578 CG GLN A 103 17.971 9.474 -12.062 1.00 4.16 C ATOM 1579 CD GLN A 103 18.986 10.059 -11.099 1.00 4.78 C ATOM 1580 OE1 GLN A 103 20.088 9.533 -10.945 1.00 5.22 O ATOM 1581 NE2 GLN A 103 18.617 11.153 -10.443 1.00 5.21 N ATOM 0 H GLN A 103 19.606 7.497 -10.158 1.00 3.58 H new ATOM 0 HA GLN A 103 16.705 7.538 -10.614 1.00 3.51 H new ATOM 0 HB2 GLN A 103 19.123 7.713 -12.452 1.00 3.99 H new ATOM 0 HB3 GLN A 103 17.471 7.634 -13.034 1.00 3.99 H new ATOM 0 HG2 GLN A 103 18.098 9.936 -13.041 1.00 4.16 H new ATOM 0 HG3 GLN A 103 16.967 9.723 -11.720 1.00 4.16 H new ATOM 0 HE21 GLN A 103 17.693 11.556 -10.602 1.00 5.21 H new ATOM 0 HE22 GLN A 103 19.257 11.591 -9.781 1.00 5.21 H new ATOM 1590 N ASN A 104 18.421 4.911 -10.577 1.00 3.80 N ATOM 1591 CA ASN A 104 18.431 3.468 -10.783 1.00 4.04 C ATOM 1592 C ASN A 104 17.253 2.811 -10.071 1.00 3.75 C ATOM 1593 O ASN A 104 17.399 2.273 -8.971 1.00 3.94 O ATOM 1594 CB ASN A 104 19.747 2.867 -10.287 1.00 4.63 C ATOM 1595 CG ASN A 104 19.824 1.368 -10.508 1.00 5.23 C ATOM 1596 OD1 ASN A 104 20.444 0.646 -9.726 1.00 5.65 O ATOM 1597 ND2 ASN A 104 19.197 0.891 -11.577 1.00 5.64 N ATOM 0 H ASN A 104 19.090 5.244 -9.882 1.00 3.80 H new ATOM 0 HA ASN A 104 18.338 3.277 -11.852 1.00 4.04 H new ATOM 0 HB2 ASN A 104 20.579 3.349 -10.800 1.00 4.63 H new ATOM 0 HB3 ASN A 104 19.862 3.080 -9.224 1.00 4.63 H new ATOM 0 HD21 ASN A 104 19.217 -0.109 -11.776 1.00 5.64 H new ATOM 0 HD22 ASN A 104 18.695 1.525 -12.199 1.00 5.64 H new ATOM 1604 N VAL A 105 16.083 2.866 -10.701 1.00 3.42 N ATOM 1605 CA VAL A 105 14.878 2.275 -10.131 1.00 3.29 C ATOM 1606 C VAL A 105 14.107 1.476 -11.180 1.00 3.64 C ATOM 1607 O VAL A 105 13.474 2.098 -12.057 1.00 3.70 O ATOM 1608 CB VAL A 105 13.961 3.355 -9.511 1.00 2.79 C ATOM 1609 CG1 VAL A 105 13.752 4.511 -10.480 1.00 3.11 C ATOM 1610 CG2 VAL A 105 12.628 2.754 -9.091 1.00 2.72 C ATOM 1611 OXT VAL A 105 14.145 0.229 -11.114 1.00 4.19 O ATOM 0 H VAL A 105 15.945 3.314 -11.607 1.00 3.42 H new ATOM 0 HA VAL A 105 15.195 1.596 -9.340 1.00 3.29 H new ATOM 0 HB VAL A 105 14.453 3.746 -8.620 1.00 2.79 H new ATOM 0 HG11 VAL A 105 13.104 5.258 -10.021 1.00 3.11 H new ATOM 0 HG12 VAL A 105 14.714 4.964 -10.719 1.00 3.11 H new ATOM 0 HG13 VAL A 105 13.288 4.140 -11.394 1.00 3.11 H new ATOM 0 HG21 VAL A 105 11.999 3.531 -8.658 1.00 2.72 H new ATOM 0 HG22 VAL A 105 12.130 2.328 -9.962 1.00 2.72 H new ATOM 0 HG23 VAL A 105 12.799 1.971 -8.352 1.00 2.72 H new TER 1621 VAL A 105