USER MOD reduce.3.24.130724 H: found=0, std=0, add=1208, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1210 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 72 MET CE :methyl -101:sc= -2.86! (180deg=-6.71!) USER MOD Set 1.2: B 527 MET CE :methyl 150:sc= -2.88! (180deg=-4.79!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -112:sc= 0.506 (180deg=0) USER MOD Set 2.2: A 111 ASN : amide:sc= 0.482 K(o=0.99,f=-4.7!) USER MOD Set 3.1: A 36 MET CE :methyl 149:sc= -0.0296 (180deg=-0.75) USER MOD Set 3.2: A 41 GLN : amide:sc= -0.343 K(o=-2.2,f=-3.5) USER MOD Set 3.3: A 51 MET CE :methyl -148:sc= -1.86 (180deg=-3.89!) USER MOD Set 4.1: A 5 THR OG1 : rot 24:sc= 0.41 USER MOD Set 4.2: A 8 GLN : amide:sc= -3.24! K(o=-2.8!,f=0.75) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -37:sc= 0.0274 USER MOD Single : A 21 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.531) USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.513 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -130:sc= -2.83! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 110:sc= 1.29 USER MOD Single : A 38 SER OG : rot -75:sc= 1 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -160:sc= -0.999 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 60 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 62 THR OG1 : rot 127:sc= 0.119 USER MOD Single : A 70 THR OG1 : rot -2:sc= 0.00789 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= -0.594 (180deg=-1.17) USER MOD Single : A 76 MET CE :methyl 177:sc= -0.0517 (180deg=-0.0548) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.538 K(o=0.54,f=-0.049) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 109 MET CE :methyl -162:sc= -0.11 (180deg=-0.249) USER MOD Single : A 110 THR OG1 : rot 86:sc= 0.905 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 144:sc= 0.873 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -4.64! C(o=-4.6!,f=-6.7!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 174:sc= -0.702 (180deg=-0.758) USER MOD Single : A 145 MET CE :methyl 149:sc= -0.573 (180deg=-3.67!) USER MOD Single : A 146 THR OG1 : rot -55:sc= -1.01! USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 520 LYS NZ :NH3+ 167:sc= -0.663 (180deg=-0.833) USER MOD Single : B 526 CYS SG : rot -60:sc= -0.543 USER MOD Single : B 529 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 5.474 -15.395 7.253 1.00 1.73 N ATOM 62 CA THR A 5 6.326 -14.346 7.792 1.00 2.05 C ATOM 63 C THR A 5 5.498 -13.069 7.924 1.00 1.66 C ATOM 64 O THR A 5 4.750 -12.726 7.017 1.00 1.15 O ATOM 65 CB THR A 5 7.534 -14.134 6.863 1.00 2.63 C ATOM 66 OG1 THR A 5 8.247 -15.368 6.714 1.00 3.14 O ATOM 67 CG2 THR A 5 8.496 -13.059 7.374 1.00 3.26 C ATOM 0 HA THR A 5 6.705 -14.626 8.775 1.00 2.05 H new ATOM 0 HB THR A 5 7.142 -13.793 5.905 1.00 2.63 H new ATOM 0 HG1 THR A 5 7.643 -16.119 6.893 1.00 3.14 H new ATOM 0 HG21 THR A 5 9.328 -12.954 6.677 1.00 3.26 H new ATOM 0 HG22 THR A 5 7.969 -12.108 7.456 1.00 3.26 H new ATOM 0 HG23 THR A 5 8.877 -13.348 8.353 1.00 3.26 H new ATOM 75 N GLU A 6 5.738 -12.325 9.000 1.00 2.22 N ATOM 76 CA GLU A 6 4.975 -11.111 9.345 1.00 2.15 C ATOM 77 C GLU A 6 4.802 -10.070 8.229 1.00 1.73 C ATOM 78 O GLU A 6 3.667 -9.742 7.891 1.00 1.38 O ATOM 79 CB GLU A 6 5.638 -10.443 10.544 1.00 2.80 C ATOM 80 CG GLU A 6 5.354 -11.127 11.874 1.00 3.25 C ATOM 81 CD GLU A 6 6.040 -10.442 13.040 1.00 3.82 C ATOM 82 OE1 GLU A 6 7.192 -10.811 13.351 1.00 4.39 O ATOM 83 OE2 GLU A 6 5.425 -9.537 13.642 1.00 4.09 O ATOM 0 H GLU A 6 6.475 -12.544 9.670 1.00 2.22 H new ATOM 0 HA GLU A 6 3.965 -11.463 9.554 1.00 2.15 H new ATOM 0 HB2 GLU A 6 6.716 -10.420 10.383 1.00 2.80 H new ATOM 0 HB3 GLU A 6 5.302 -9.408 10.601 1.00 2.80 H new ATOM 0 HG2 GLU A 6 4.278 -11.142 12.048 1.00 3.25 H new ATOM 0 HG3 GLU A 6 5.683 -12.165 11.822 1.00 3.25 H new ATOM 90 N GLU A 7 5.902 -9.570 7.651 1.00 1.90 N ATOM 91 CA GLU A 7 5.821 -8.534 6.618 1.00 1.65 C ATOM 92 C GLU A 7 5.526 -9.086 5.237 1.00 1.44 C ATOM 93 O GLU A 7 5.103 -8.339 4.348 1.00 1.23 O ATOM 94 CB GLU A 7 7.093 -7.681 6.593 1.00 2.06 C ATOM 95 CG GLU A 7 7.222 -6.733 7.776 1.00 2.28 C ATOM 96 CD GLU A 7 8.502 -5.921 7.735 1.00 2.65 C ATOM 97 OE1 GLU A 7 8.480 -4.806 7.173 1.00 3.11 O ATOM 98 OE2 GLU A 7 9.525 -6.401 8.267 1.00 2.91 O ATOM 0 H GLU A 7 6.851 -9.865 7.880 1.00 1.90 H new ATOM 0 HA GLU A 7 4.974 -7.904 6.890 1.00 1.65 H new ATOM 0 HB2 GLU A 7 7.961 -8.340 6.572 1.00 2.06 H new ATOM 0 HB3 GLU A 7 7.111 -7.100 5.671 1.00 2.06 H new ATOM 0 HG2 GLU A 7 6.367 -6.057 7.790 1.00 2.28 H new ATOM 0 HG3 GLU A 7 7.190 -7.307 8.702 1.00 2.28 H new ATOM 105 N GLN A 8 5.746 -10.382 5.056 1.00 1.67 N ATOM 106 CA GLN A 8 5.464 -11.033 3.783 1.00 1.66 C ATOM 107 C GLN A 8 3.953 -11.244 3.659 1.00 1.23 C ATOM 108 O GLN A 8 3.372 -11.020 2.593 1.00 1.28 O ATOM 109 CB GLN A 8 6.234 -12.353 3.667 1.00 1.98 C ATOM 110 CG GLN A 8 7.732 -12.198 3.934 1.00 2.48 C ATOM 111 CD GLN A 8 8.563 -13.302 3.304 1.00 2.88 C ATOM 112 OE1 GLN A 8 8.983 -13.193 2.151 1.00 3.21 O ATOM 113 NE2 GLN A 8 8.812 -14.368 4.053 1.00 3.41 N ATOM 0 H GLN A 8 6.119 -11.003 5.774 1.00 1.67 H new ATOM 0 HA GLN A 8 5.798 -10.400 2.961 1.00 1.66 H new ATOM 0 HB2 GLN A 8 5.818 -13.073 4.372 1.00 1.98 H new ATOM 0 HB3 GLN A 8 6.090 -12.765 2.668 1.00 1.98 H new ATOM 0 HG2 GLN A 8 8.066 -11.234 3.550 1.00 2.48 H new ATOM 0 HG3 GLN A 8 7.905 -12.189 5.010 1.00 2.48 H new ATOM 0 HE21 GLN A 8 8.446 -14.420 5.004 1.00 3.41 H new ATOM 0 HE22 GLN A 8 9.370 -15.136 3.678 1.00 3.41 H new ATOM 122 N ILE A 9 3.332 -11.680 4.769 1.00 0.97 N ATOM 123 CA ILE A 9 1.879 -11.871 4.823 1.00 0.68 C ATOM 124 C ILE A 9 1.131 -10.602 5.252 1.00 0.57 C ATOM 125 O ILE A 9 -0.091 -10.528 5.092 1.00 0.67 O ATOM 126 CB ILE A 9 1.400 -13.078 5.682 1.00 0.76 C ATOM 127 CG1 ILE A 9 2.287 -13.338 6.882 1.00 1.22 C ATOM 128 CG2 ILE A 9 1.270 -14.332 4.832 1.00 1.14 C ATOM 129 CD1 ILE A 9 1.917 -12.451 8.033 1.00 2.46 C ATOM 0 H ILE A 9 3.816 -11.905 5.638 1.00 0.97 H new ATOM 0 HA ILE A 9 1.625 -12.108 3.790 1.00 0.68 H new ATOM 0 HB ILE A 9 0.417 -12.809 6.069 1.00 0.76 H new ATOM 0 HG12 ILE A 9 2.200 -14.382 7.182 1.00 1.22 H new ATOM 0 HG13 ILE A 9 3.329 -13.170 6.610 1.00 1.22 H new ATOM 0 HG21 ILE A 9 0.934 -15.161 5.455 1.00 1.14 H new ATOM 0 HG22 ILE A 9 0.545 -14.159 4.037 1.00 1.14 H new ATOM 0 HG23 ILE A 9 2.238 -14.577 4.394 1.00 1.14 H new ATOM 0 HD11 ILE A 9 2.571 -12.661 8.879 1.00 2.46 H new ATOM 0 HD12 ILE A 9 2.028 -11.407 7.739 1.00 2.46 H new ATOM 0 HD13 ILE A 9 0.882 -12.639 8.319 1.00 2.46 H new ATOM 141 N ALA A 10 1.858 -9.600 5.796 1.00 0.59 N ATOM 142 CA ALA A 10 1.230 -8.332 6.235 1.00 0.64 C ATOM 143 C ALA A 10 0.647 -7.530 5.084 1.00 0.58 C ATOM 144 O ALA A 10 -0.371 -6.854 5.249 1.00 0.70 O ATOM 145 CB ALA A 10 2.228 -7.430 6.920 1.00 0.80 C ATOM 0 H ALA A 10 2.867 -9.642 5.941 1.00 0.59 H new ATOM 0 HA ALA A 10 0.435 -8.638 6.915 1.00 0.64 H new ATOM 0 HB1 ALA A 10 1.734 -6.509 7.229 1.00 0.80 H new ATOM 0 HB2 ALA A 10 2.634 -7.936 7.796 1.00 0.80 H new ATOM 0 HB3 ALA A 10 3.038 -7.193 6.230 1.00 0.80 H new ATOM 151 N GLU A 11 1.276 -7.652 3.909 1.00 0.50 N ATOM 152 CA GLU A 11 0.876 -6.882 2.741 1.00 0.51 C ATOM 153 C GLU A 11 -0.409 -7.456 2.176 1.00 0.49 C ATOM 154 O GLU A 11 -1.380 -6.733 2.008 1.00 0.50 O ATOM 155 CB GLU A 11 1.985 -6.852 1.668 1.00 0.59 C ATOM 156 CG GLU A 11 1.640 -6.022 0.419 1.00 0.64 C ATOM 157 CD GLU A 11 1.053 -6.865 -0.699 1.00 0.88 C ATOM 158 OE1 GLU A 11 1.836 -7.415 -1.501 1.00 1.48 O ATOM 159 OE2 GLU A 11 -0.188 -6.974 -0.772 1.00 1.48 O ATOM 0 H GLU A 11 2.064 -8.279 3.749 1.00 0.50 H new ATOM 0 HA GLU A 11 0.706 -5.850 3.049 1.00 0.51 H new ATOM 0 HB2 GLU A 11 2.895 -6.452 2.115 1.00 0.59 H new ATOM 0 HB3 GLU A 11 2.204 -7.875 1.361 1.00 0.59 H new ATOM 0 HG2 GLU A 11 0.930 -5.241 0.691 1.00 0.64 H new ATOM 0 HG3 GLU A 11 2.540 -5.523 0.059 1.00 0.64 H new ATOM 166 N PHE A 12 -0.401 -8.773 1.914 1.00 0.52 N ATOM 167 CA PHE A 12 -1.572 -9.464 1.382 1.00 0.53 C ATOM 168 C PHE A 12 -2.739 -9.347 2.354 1.00 0.49 C ATOM 169 O PHE A 12 -3.896 -9.353 1.932 1.00 0.54 O ATOM 170 CB PHE A 12 -1.226 -10.939 1.047 1.00 0.63 C ATOM 171 CG PHE A 12 -2.002 -11.991 1.813 1.00 1.22 C ATOM 172 CD1 PHE A 12 -3.223 -12.452 1.345 1.00 2.05 C ATOM 173 CD2 PHE A 12 -1.505 -12.514 2.995 1.00 2.14 C ATOM 174 CE1 PHE A 12 -3.932 -13.413 2.041 1.00 3.03 C ATOM 175 CE2 PHE A 12 -2.209 -13.475 3.696 1.00 3.14 C ATOM 176 CZ PHE A 12 -3.423 -13.925 3.219 1.00 3.44 C ATOM 0 H PHE A 12 0.408 -9.376 2.064 1.00 0.52 H new ATOM 0 HA PHE A 12 -1.879 -8.989 0.450 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -1.391 -11.098 -0.019 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -0.163 -11.093 1.231 1.00 0.63 H new ATOM 0 HD1 PHE A 12 -3.625 -12.055 0.425 1.00 2.05 H new ATOM 0 HD2 PHE A 12 -0.555 -12.167 3.374 1.00 2.14 H new ATOM 0 HE1 PHE A 12 -4.882 -13.763 1.665 1.00 3.03 H new ATOM 0 HE2 PHE A 12 -1.809 -13.873 4.617 1.00 3.14 H new ATOM 0 HZ PHE A 12 -3.974 -14.676 3.765 1.00 3.44 H new ATOM 186 N LYS A 13 -2.424 -9.241 3.658 1.00 0.47 N ATOM 187 CA LYS A 13 -3.449 -9.084 4.669 1.00 0.48 C ATOM 188 C LYS A 13 -4.155 -7.771 4.567 1.00 0.48 C ATOM 189 O LYS A 13 -5.384 -7.709 4.518 1.00 0.52 O ATOM 190 CB LYS A 13 -2.881 -9.148 6.077 1.00 0.51 C ATOM 191 CG LYS A 13 -3.935 -9.525 7.089 1.00 0.57 C ATOM 192 CD LYS A 13 -4.439 -10.935 6.811 1.00 0.60 C ATOM 193 CE LYS A 13 -5.898 -11.103 7.204 1.00 0.66 C ATOM 194 NZ LYS A 13 -6.381 -12.491 6.963 1.00 1.21 N ATOM 0 H LYS A 13 -1.471 -9.263 4.020 1.00 0.47 H new ATOM 0 HA LYS A 13 -4.139 -9.908 4.488 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -2.070 -9.875 6.109 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -2.453 -8.181 6.341 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -3.521 -9.469 8.096 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -4.763 -8.818 7.045 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -4.320 -11.161 5.751 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -3.830 -11.653 7.360 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -6.021 -10.853 8.258 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -6.510 -10.402 6.637 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -7.380 -12.565 7.244 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -6.287 -12.721 5.953 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -5.814 -13.158 7.524 1.00 1.21 H new ATOM 208 N GLU A 14 -3.370 -6.723 4.590 1.00 0.47 N ATOM 209 CA GLU A 14 -3.924 -5.416 4.544 1.00 0.49 C ATOM 210 C GLU A 14 -4.408 -5.101 3.143 1.00 0.49 C ATOM 211 O GLU A 14 -5.323 -4.296 2.952 1.00 0.54 O ATOM 212 CB GLU A 14 -2.913 -4.378 5.011 1.00 0.50 C ATOM 213 CG GLU A 14 -3.126 -3.891 6.440 1.00 0.52 C ATOM 214 CD GLU A 14 -4.216 -2.838 6.553 1.00 1.25 C ATOM 215 OE1 GLU A 14 -3.901 -1.639 6.398 1.00 1.99 O ATOM 216 OE2 GLU A 14 -5.382 -3.214 6.796 1.00 1.95 O ATOM 0 H GLU A 14 -2.352 -6.760 4.640 1.00 0.47 H new ATOM 0 HA GLU A 14 -4.776 -5.381 5.223 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -1.912 -4.801 4.930 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -2.953 -3.521 4.338 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -3.382 -4.741 7.073 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -2.191 -3.480 6.821 1.00 0.52 H new ATOM 223 N ALA A 15 -3.770 -5.763 2.168 1.00 0.46 N ATOM 224 CA ALA A 15 -4.136 -5.627 0.775 1.00 0.48 C ATOM 225 C ALA A 15 -5.286 -6.571 0.444 1.00 0.50 C ATOM 226 O ALA A 15 -5.720 -6.705 -0.705 1.00 0.55 O ATOM 227 CB ALA A 15 -2.951 -5.853 -0.150 1.00 0.50 C ATOM 0 H ALA A 15 -2.992 -6.401 2.334 1.00 0.46 H new ATOM 0 HA ALA A 15 -4.467 -4.601 0.612 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -3.271 -5.741 -1.186 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -2.173 -5.122 0.070 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -2.558 -6.858 0.002 1.00 0.50 H new ATOM 233 N PHE A 16 -5.764 -7.202 1.509 1.00 0.49 N ATOM 234 CA PHE A 16 -6.884 -8.140 1.461 1.00 0.53 C ATOM 235 C PHE A 16 -8.185 -7.347 1.562 1.00 0.57 C ATOM 236 O PHE A 16 -9.085 -7.536 0.756 1.00 0.60 O ATOM 237 CB PHE A 16 -6.797 -9.197 2.584 1.00 0.55 C ATOM 238 CG PHE A 16 -7.544 -10.470 2.282 1.00 0.56 C ATOM 239 CD1 PHE A 16 -8.870 -10.616 2.657 1.00 1.27 C ATOM 240 CD2 PHE A 16 -6.918 -11.517 1.625 1.00 1.27 C ATOM 241 CE1 PHE A 16 -9.558 -11.782 2.382 1.00 1.31 C ATOM 242 CE2 PHE A 16 -7.601 -12.686 1.347 1.00 1.27 C ATOM 243 CZ PHE A 16 -8.923 -12.819 1.726 1.00 0.62 C ATOM 0 H PHE A 16 -5.380 -7.076 2.446 1.00 0.49 H new ATOM 0 HA PHE A 16 -6.850 -8.685 0.517 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -5.749 -9.436 2.764 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -7.189 -8.767 3.506 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -9.371 -9.809 3.170 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -5.885 -11.419 1.327 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -10.591 -11.883 2.680 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -7.102 -13.495 0.834 1.00 1.27 H new ATOM 0 HZ PHE A 16 -9.459 -13.732 1.510 1.00 0.62 H new ATOM 253 N SER A 17 -8.282 -6.461 2.566 1.00 0.61 N ATOM 254 CA SER A 17 -9.477 -5.620 2.717 1.00 0.67 C ATOM 255 C SER A 17 -9.357 -4.344 1.864 1.00 0.74 C ATOM 256 O SER A 17 -10.346 -3.646 1.622 1.00 0.78 O ATOM 257 CB SER A 17 -9.709 -5.266 4.189 1.00 0.74 C ATOM 258 OG SER A 17 -10.965 -4.633 4.375 1.00 1.41 O ATOM 0 H SER A 17 -7.562 -6.311 3.272 1.00 0.61 H new ATOM 0 HA SER A 17 -10.338 -6.187 2.363 1.00 0.67 H new ATOM 0 HB2 SER A 17 -9.662 -6.171 4.795 1.00 0.74 H new ATOM 0 HB3 SER A 17 -8.913 -4.608 4.537 1.00 0.74 H new ATOM 0 HG SER A 17 -11.153 -4.049 3.611 1.00 1.41 H new ATOM 264 N LEU A 18 -8.121 -4.068 1.420 1.00 0.79 N ATOM 265 CA LEU A 18 -7.777 -2.896 0.589 1.00 0.91 C ATOM 266 C LEU A 18 -8.425 -2.982 -0.797 1.00 0.81 C ATOM 267 O LEU A 18 -8.890 -1.973 -1.337 1.00 0.79 O ATOM 268 CB LEU A 18 -6.231 -2.835 0.469 1.00 1.26 C ATOM 269 CG LEU A 18 -5.540 -1.652 -0.274 1.00 0.69 C ATOM 270 CD1 LEU A 18 -5.404 -1.947 -1.753 1.00 1.59 C ATOM 271 CD2 LEU A 18 -6.238 -0.315 -0.089 1.00 0.83 C ATOM 0 H LEU A 18 -7.317 -4.660 1.630 1.00 0.79 H new ATOM 0 HA LEU A 18 -8.158 -1.989 1.058 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -5.829 -2.857 1.482 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -5.910 -3.754 -0.022 1.00 1.26 H new ATOM 0 HG LEU A 18 -4.555 -1.562 0.184 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -4.919 -1.106 -2.249 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -4.803 -2.846 -1.891 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -6.392 -2.102 -2.186 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -5.697 0.457 -0.636 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -7.258 -0.381 -0.468 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -6.261 -0.060 0.971 1.00 0.83 H new ATOM 283 N PHE A 19 -8.446 -4.194 -1.352 1.00 0.84 N ATOM 284 CA PHE A 19 -9.018 -4.438 -2.670 1.00 0.86 C ATOM 285 C PHE A 19 -10.388 -5.071 -2.596 1.00 0.75 C ATOM 286 O PHE A 19 -11.309 -4.686 -3.322 1.00 0.79 O ATOM 287 CB PHE A 19 -8.155 -5.403 -3.464 1.00 1.02 C ATOM 288 CG PHE A 19 -6.842 -4.853 -3.939 1.00 0.85 C ATOM 289 CD1 PHE A 19 -5.689 -5.049 -3.198 1.00 1.41 C ATOM 290 CD2 PHE A 19 -6.759 -4.153 -5.131 1.00 1.53 C ATOM 291 CE1 PHE A 19 -4.477 -4.556 -3.636 1.00 1.60 C ATOM 292 CE2 PHE A 19 -5.549 -3.655 -5.572 1.00 1.64 C ATOM 293 CZ PHE A 19 -4.408 -3.858 -4.822 1.00 1.28 C ATOM 0 H PHE A 19 -8.069 -5.028 -0.901 1.00 0.84 H new ATOM 0 HA PHE A 19 -9.078 -3.459 -3.145 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -7.960 -6.281 -2.848 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -8.722 -5.742 -4.331 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -5.739 -5.594 -2.267 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -7.649 -3.995 -5.721 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -3.584 -4.717 -3.050 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -5.495 -3.108 -6.502 1.00 1.64 H new ATOM 0 HZ PHE A 19 -3.461 -3.469 -5.165 1.00 1.28 H new ATOM 303 N ASP A 20 -10.507 -6.050 -1.709 1.00 0.68 N ATOM 304 CA ASP A 20 -11.721 -6.830 -1.581 1.00 0.63 C ATOM 305 C ASP A 20 -12.844 -6.078 -0.834 1.00 0.66 C ATOM 306 O ASP A 20 -12.891 -6.083 0.403 1.00 0.74 O ATOM 307 CB ASP A 20 -11.405 -8.172 -0.887 1.00 0.60 C ATOM 308 CG ASP A 20 -10.256 -8.933 -1.526 1.00 1.67 C ATOM 309 OD1 ASP A 20 -9.122 -8.414 -1.517 1.00 2.45 O ATOM 310 OD2 ASP A 20 -10.490 -10.054 -2.024 1.00 2.31 O ATOM 0 H ASP A 20 -9.766 -6.321 -1.063 1.00 0.68 H new ATOM 0 HA ASP A 20 -12.097 -7.016 -2.587 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -11.166 -7.983 0.160 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -12.297 -8.798 -0.902 1.00 0.60 H new ATOM 315 N LYS A 21 -13.736 -5.408 -1.598 1.00 0.73 N ATOM 316 CA LYS A 21 -14.890 -4.693 -1.012 1.00 0.80 C ATOM 317 C LYS A 21 -15.999 -5.684 -0.739 1.00 0.82 C ATOM 318 O LYS A 21 -16.517 -5.793 0.376 1.00 0.91 O ATOM 319 CB LYS A 21 -15.440 -3.617 -1.935 1.00 1.01 C ATOM 320 CG LYS A 21 -14.602 -2.371 -1.993 1.00 0.97 C ATOM 321 CD LYS A 21 -13.803 -2.354 -3.268 1.00 0.95 C ATOM 322 CE LYS A 21 -13.875 -0.991 -3.950 1.00 1.05 C ATOM 323 NZ LYS A 21 -15.124 -0.828 -4.744 1.00 1.63 N ATOM 0 H LYS A 21 -13.679 -5.348 -2.615 1.00 0.73 H new ATOM 0 HA LYS A 21 -14.540 -4.214 -0.098 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -15.531 -4.028 -2.941 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -16.445 -3.351 -1.607 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -15.241 -1.489 -1.941 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -13.933 -2.331 -1.133 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -12.763 -2.600 -3.051 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -14.178 -3.122 -3.945 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -13.820 -0.206 -3.196 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -13.012 -0.867 -4.604 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -14.895 -0.414 -5.670 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -15.572 -1.756 -4.881 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -15.779 -0.199 -4.236 1.00 1.63 H new ATOM 337 N ASP A 22 -16.339 -6.399 -1.808 1.00 0.85 N ATOM 338 CA ASP A 22 -17.357 -7.455 -1.776 1.00 0.97 C ATOM 339 C ASP A 22 -16.783 -8.675 -1.043 1.00 0.88 C ATOM 340 O ASP A 22 -17.473 -9.321 -0.248 1.00 1.02 O ATOM 341 CB ASP A 22 -17.782 -7.823 -3.205 1.00 1.12 C ATOM 342 CG ASP A 22 -19.109 -8.563 -3.260 1.00 1.36 C ATOM 343 OD1 ASP A 22 -20.158 -7.893 -3.359 1.00 2.09 O ATOM 344 OD2 ASP A 22 -19.096 -9.810 -3.204 1.00 1.48 O ATOM 0 H ASP A 22 -15.917 -6.265 -2.727 1.00 0.85 H new ATOM 0 HA ASP A 22 -18.242 -7.103 -1.245 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -17.855 -6.914 -3.802 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -17.008 -8.442 -3.660 1.00 1.12 H new ATOM 349 N GLY A 23 -15.503 -8.964 -1.335 1.00 0.75 N ATOM 350 CA GLY A 23 -14.768 -10.047 -0.694 1.00 0.75 C ATOM 351 C GLY A 23 -15.401 -11.419 -0.747 1.00 0.85 C ATOM 352 O GLY A 23 -15.583 -12.065 0.290 1.00 1.01 O ATOM 0 H GLY A 23 -14.956 -8.448 -2.024 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -13.782 -10.109 -1.154 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -14.615 -9.782 0.352 1.00 0.75 H new ATOM 356 N ASP A 24 -15.737 -11.859 -1.960 1.00 0.82 N ATOM 357 CA ASP A 24 -16.267 -13.210 -2.200 1.00 0.95 C ATOM 358 C ASP A 24 -15.113 -14.204 -1.998 1.00 0.87 C ATOM 359 O ASP A 24 -15.247 -15.426 -2.121 1.00 0.96 O ATOM 360 CB ASP A 24 -16.729 -13.283 -3.638 1.00 1.00 C ATOM 361 CG ASP A 24 -17.672 -14.442 -3.919 1.00 1.41 C ATOM 362 OD1 ASP A 24 -18.899 -14.255 -3.781 1.00 1.96 O ATOM 363 OD2 ASP A 24 -17.181 -15.533 -4.277 1.00 1.93 O ATOM 0 H ASP A 24 -15.651 -11.294 -2.805 1.00 0.82 H new ATOM 0 HA ASP A 24 -17.093 -13.439 -1.527 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -17.228 -12.349 -3.898 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -15.857 -13.370 -4.286 1.00 1.00 H new ATOM 368 N GLY A 25 -13.995 -13.582 -1.672 1.00 0.74 N ATOM 369 CA GLY A 25 -12.722 -14.228 -1.435 1.00 0.72 C ATOM 370 C GLY A 25 -11.753 -13.904 -2.548 1.00 0.65 C ATOM 371 O GLY A 25 -10.627 -14.409 -2.584 1.00 0.69 O ATOM 0 H GLY A 25 -13.950 -12.569 -1.561 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -12.312 -13.899 -0.480 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -12.861 -15.307 -1.368 1.00 0.72 H new ATOM 375 N THR A 26 -12.224 -13.045 -3.457 1.00 0.62 N ATOM 376 CA THR A 26 -11.447 -12.573 -4.585 1.00 0.58 C ATOM 377 C THR A 26 -11.460 -11.050 -4.695 1.00 0.57 C ATOM 378 O THR A 26 -12.172 -10.356 -3.963 1.00 0.64 O ATOM 379 CB THR A 26 -11.987 -13.140 -5.899 1.00 0.60 C ATOM 380 OG1 THR A 26 -13.393 -12.869 -6.011 1.00 0.63 O ATOM 381 CG2 THR A 26 -11.757 -14.634 -5.970 1.00 0.64 C ATOM 0 H THR A 26 -13.167 -12.659 -3.421 1.00 0.62 H new ATOM 0 HA THR A 26 -10.427 -12.915 -4.412 1.00 0.58 H new ATOM 0 HB THR A 26 -11.456 -12.661 -6.721 1.00 0.60 H new ATOM 0 HG1 THR A 26 -13.822 -13.577 -6.536 1.00 0.63 H new ATOM 0 HG21 THR A 26 -12.148 -15.018 -6.912 1.00 0.64 H new ATOM 0 HG22 THR A 26 -10.689 -14.841 -5.909 1.00 0.64 H new ATOM 0 HG23 THR A 26 -12.268 -15.121 -5.140 1.00 0.64 H new ATOM 389 N ILE A 27 -10.667 -10.566 -5.644 1.00 0.54 N ATOM 390 CA ILE A 27 -10.517 -9.174 -5.946 1.00 0.53 C ATOM 391 C ILE A 27 -11.101 -8.866 -7.267 1.00 0.53 C ATOM 392 O ILE A 27 -10.810 -9.513 -8.258 1.00 0.51 O ATOM 393 CB ILE A 27 -9.050 -8.798 -5.906 1.00 0.49 C ATOM 394 CG1 ILE A 27 -8.690 -8.664 -4.458 1.00 0.52 C ATOM 395 CG2 ILE A 27 -8.721 -7.525 -6.690 1.00 0.47 C ATOM 396 CD1 ILE A 27 -7.952 -9.862 -3.891 1.00 0.54 C ATOM 0 H ILE A 27 -10.096 -11.167 -6.238 1.00 0.54 H new ATOM 0 HA ILE A 27 -11.050 -8.587 -5.198 1.00 0.53 H new ATOM 0 HB ILE A 27 -8.460 -9.571 -6.398 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -8.072 -7.775 -4.329 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -9.601 -8.505 -3.881 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -7.653 -7.318 -6.616 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -8.993 -7.662 -7.737 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -9.282 -6.687 -6.276 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -7.728 -9.687 -2.839 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -8.575 -10.751 -3.986 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -7.022 -10.010 -4.440 1.00 0.54 H new ATOM 408 N THR A 28 -11.865 -7.826 -7.268 1.00 0.59 N ATOM 409 CA THR A 28 -12.541 -7.411 -8.465 1.00 0.61 C ATOM 410 C THR A 28 -11.899 -6.193 -9.070 1.00 0.58 C ATOM 411 O THR A 28 -11.098 -5.486 -8.450 1.00 0.57 O ATOM 412 CB THR A 28 -14.021 -7.125 -8.193 1.00 0.69 C ATOM 413 OG1 THR A 28 -14.460 -7.789 -6.999 1.00 0.75 O ATOM 414 CG2 THR A 28 -14.904 -7.551 -9.362 1.00 0.73 C ATOM 0 H THR A 28 -12.042 -7.240 -6.452 1.00 0.59 H new ATOM 0 HA THR A 28 -12.461 -8.235 -9.174 1.00 0.61 H new ATOM 0 HB THR A 28 -14.116 -6.047 -8.063 1.00 0.69 H new ATOM 0 HG1 THR A 28 -15.407 -7.591 -6.844 1.00 0.75 H new ATOM 0 HG21 THR A 28 -15.946 -7.331 -9.130 1.00 0.73 H new ATOM 0 HG22 THR A 28 -14.609 -7.005 -10.258 1.00 0.73 H new ATOM 0 HG23 THR A 28 -14.788 -8.621 -9.534 1.00 0.73 H new ATOM 422 N THR A 29 -12.293 -5.989 -10.304 1.00 0.58 N ATOM 423 CA THR A 29 -11.836 -4.895 -11.133 1.00 0.57 C ATOM 424 C THR A 29 -12.333 -3.552 -10.584 1.00 0.62 C ATOM 425 O THR A 29 -11.559 -2.603 -10.501 1.00 0.64 O ATOM 426 CB THR A 29 -12.284 -5.078 -12.622 1.00 0.58 C ATOM 427 OG1 THR A 29 -13.463 -4.312 -12.909 1.00 0.66 O ATOM 428 CG2 THR A 29 -12.564 -6.532 -12.981 1.00 0.59 C ATOM 0 H THR A 29 -12.962 -6.598 -10.776 1.00 0.58 H new ATOM 0 HA THR A 29 -10.746 -4.898 -11.109 1.00 0.57 H new ATOM 0 HB THR A 29 -11.446 -4.724 -13.223 1.00 0.58 H new ATOM 0 HG1 THR A 29 -14.127 -4.885 -13.347 1.00 0.66 H new ATOM 0 HG21 THR A 29 -12.870 -6.596 -14.025 1.00 0.59 H new ATOM 0 HG22 THR A 29 -11.661 -7.124 -12.830 1.00 0.59 H new ATOM 0 HG23 THR A 29 -13.361 -6.917 -12.345 1.00 0.59 H new ATOM 436 N LYS A 30 -13.605 -3.513 -10.124 1.00 0.77 N ATOM 437 CA LYS A 30 -14.227 -2.278 -9.591 1.00 0.85 C ATOM 438 C LYS A 30 -13.305 -1.523 -8.618 1.00 0.84 C ATOM 439 O LYS A 30 -13.327 -0.293 -8.573 1.00 0.93 O ATOM 440 CB LYS A 30 -15.591 -2.586 -8.927 1.00 1.01 C ATOM 441 CG LYS A 30 -15.533 -3.349 -7.586 1.00 1.06 C ATOM 442 CD LYS A 30 -16.321 -4.660 -7.619 1.00 1.10 C ATOM 443 CE LYS A 30 -17.808 -4.448 -7.350 1.00 1.16 C ATOM 444 NZ LYS A 30 -18.568 -5.728 -7.387 1.00 1.66 N ATOM 0 H LYS A 30 -14.222 -4.325 -10.111 1.00 0.77 H new ATOM 0 HA LYS A 30 -14.395 -1.620 -10.444 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -16.115 -1.644 -8.764 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -16.191 -3.167 -9.627 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -14.493 -3.561 -7.338 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -15.927 -2.713 -6.793 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -16.194 -5.133 -8.593 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -15.914 -5.345 -6.876 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -17.937 -3.978 -6.375 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -18.217 -3.762 -8.092 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -19.574 -5.540 -7.200 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -18.466 -6.165 -8.325 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -18.195 -6.374 -6.662 1.00 1.66 H new ATOM 458 N GLU A 31 -12.508 -2.278 -7.851 1.00 0.82 N ATOM 459 CA GLU A 31 -11.565 -1.707 -6.908 1.00 0.87 C ATOM 460 C GLU A 31 -10.221 -1.404 -7.560 1.00 0.78 C ATOM 461 O GLU A 31 -9.720 -0.293 -7.431 1.00 0.81 O ATOM 462 CB GLU A 31 -11.370 -2.630 -5.703 1.00 1.02 C ATOM 463 CG GLU A 31 -10.458 -2.100 -4.578 1.00 1.82 C ATOM 464 CD GLU A 31 -10.670 -0.642 -4.178 1.00 2.69 C ATOM 465 OE1 GLU A 31 -10.417 0.252 -5.012 1.00 3.34 O ATOM 466 OE2 GLU A 31 -11.072 -0.400 -3.021 1.00 3.27 O ATOM 0 H GLU A 31 -12.506 -3.298 -7.874 1.00 0.82 H new ATOM 0 HA GLU A 31 -11.990 -0.764 -6.565 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -12.349 -2.847 -5.276 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -10.961 -3.575 -6.059 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -10.603 -2.723 -3.696 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -9.421 -2.224 -4.889 1.00 1.82 H new ATOM 473 N LEU A 32 -9.666 -2.392 -8.283 1.00 0.68 N ATOM 474 CA LEU A 32 -8.344 -2.280 -8.925 1.00 0.60 C ATOM 475 C LEU A 32 -8.127 -0.960 -9.665 1.00 0.66 C ATOM 476 O LEU A 32 -7.009 -0.449 -9.661 1.00 0.72 O ATOM 477 CB LEU A 32 -8.095 -3.500 -9.838 1.00 0.54 C ATOM 478 CG LEU A 32 -6.698 -3.628 -10.500 1.00 0.46 C ATOM 479 CD1 LEU A 32 -5.554 -3.326 -9.532 1.00 0.49 C ATOM 480 CD2 LEU A 32 -6.519 -5.018 -11.080 1.00 0.44 C ATOM 0 H LEU A 32 -10.121 -3.291 -8.439 1.00 0.68 H new ATOM 0 HA LEU A 32 -7.603 -2.277 -8.126 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -8.272 -4.401 -9.251 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -8.843 -3.484 -10.631 1.00 0.54 H new ATOM 0 HG LEU A 32 -6.658 -2.882 -11.294 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -4.601 -3.431 -10.051 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -5.653 -2.307 -9.158 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -5.591 -4.024 -8.696 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -5.535 -5.096 -11.542 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -6.606 -5.758 -10.285 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -7.288 -5.201 -11.831 1.00 0.44 H new ATOM 492 N GLY A 33 -9.179 -0.419 -10.286 1.00 0.71 N ATOM 493 CA GLY A 33 -9.057 0.863 -10.972 1.00 0.80 C ATOM 494 C GLY A 33 -9.210 2.029 -10.027 1.00 0.83 C ATOM 495 O GLY A 33 -8.617 3.088 -10.225 1.00 0.91 O ATOM 0 H GLY A 33 -10.106 -0.842 -10.326 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -8.086 0.920 -11.463 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -9.814 0.929 -11.754 1.00 0.80 H new ATOM 499 N THR A 34 -10.026 1.818 -9.010 1.00 0.80 N ATOM 500 CA THR A 34 -10.238 2.795 -7.943 1.00 0.84 C ATOM 501 C THR A 34 -8.981 2.864 -7.066 1.00 0.83 C ATOM 502 O THR A 34 -8.756 3.842 -6.348 1.00 0.88 O ATOM 503 CB THR A 34 -11.415 2.358 -7.061 1.00 0.87 C ATOM 504 OG1 THR A 34 -12.541 2.023 -7.879 1.00 0.89 O ATOM 505 CG2 THR A 34 -11.831 3.438 -6.060 1.00 0.96 C ATOM 0 H THR A 34 -10.566 0.960 -8.895 1.00 0.80 H new ATOM 0 HA THR A 34 -10.449 3.767 -8.389 1.00 0.84 H new ATOM 0 HB THR A 34 -11.080 1.488 -6.495 1.00 0.87 H new ATOM 0 HG1 THR A 34 -12.691 1.055 -7.848 1.00 0.89 H new ATOM 0 HG21 THR A 34 -12.667 3.077 -5.462 1.00 0.96 H new ATOM 0 HG22 THR A 34 -10.991 3.671 -5.406 1.00 0.96 H new ATOM 0 HG23 THR A 34 -12.132 4.337 -6.598 1.00 0.96 H new ATOM 513 N VAL A 35 -8.177 1.794 -7.154 1.00 0.77 N ATOM 514 CA VAL A 35 -6.931 1.663 -6.377 1.00 0.79 C ATOM 515 C VAL A 35 -5.812 2.496 -7.017 1.00 0.80 C ATOM 516 O VAL A 35 -5.290 3.451 -6.438 1.00 0.86 O ATOM 517 CB VAL A 35 -6.467 0.174 -6.347 1.00 0.76 C ATOM 518 CG1 VAL A 35 -5.108 0.005 -5.661 1.00 0.80 C ATOM 519 CG2 VAL A 35 -7.493 -0.709 -5.660 1.00 0.79 C ATOM 0 H VAL A 35 -8.369 0.998 -7.762 1.00 0.77 H new ATOM 0 HA VAL A 35 -7.129 2.016 -5.365 1.00 0.79 H new ATOM 0 HB VAL A 35 -6.365 -0.136 -7.387 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -4.827 -1.048 -5.664 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -4.355 0.583 -6.197 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -5.173 0.360 -4.632 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -7.140 -1.740 -5.655 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -7.636 -0.370 -4.634 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -8.440 -0.652 -6.197 1.00 0.79 H new ATOM 529 N MET A 36 -5.487 2.073 -8.234 1.00 0.77 N ATOM 530 CA MET A 36 -4.444 2.660 -9.102 1.00 0.81 C ATOM 531 C MET A 36 -4.514 4.174 -9.245 1.00 0.80 C ATOM 532 O MET A 36 -3.506 4.864 -9.119 1.00 0.87 O ATOM 533 CB MET A 36 -4.592 2.104 -10.522 1.00 0.87 C ATOM 534 CG MET A 36 -6.016 1.830 -10.907 1.00 0.86 C ATOM 535 SD MET A 36 -6.175 1.063 -12.535 1.00 1.10 S ATOM 536 CE MET A 36 -5.989 2.485 -13.614 1.00 1.82 C ATOM 0 H MET A 36 -5.956 1.280 -8.671 1.00 0.77 H new ATOM 0 HA MET A 36 -3.502 2.399 -8.620 1.00 0.81 H new ATOM 0 HB2 MET A 36 -4.162 2.813 -11.229 1.00 0.87 H new ATOM 0 HB3 MET A 36 -4.017 1.182 -10.605 1.00 0.87 H new ATOM 0 HG2 MET A 36 -6.469 1.179 -10.159 1.00 0.86 H new ATOM 0 HG3 MET A 36 -6.575 2.765 -10.896 1.00 0.86 H new ATOM 0 HE1 MET A 36 -5.526 2.173 -14.550 1.00 1.82 H new ATOM 0 HE2 MET A 36 -6.969 2.916 -13.820 1.00 1.82 H new ATOM 0 HE3 MET A 36 -5.360 3.231 -13.128 1.00 1.82 H new ATOM 546 N ARG A 37 -5.727 4.663 -9.509 1.00 0.79 N ATOM 547 CA ARG A 37 -5.979 6.073 -9.795 1.00 0.85 C ATOM 548 C ARG A 37 -5.274 7.069 -8.860 1.00 0.94 C ATOM 549 O ARG A 37 -4.934 8.184 -9.264 1.00 1.01 O ATOM 550 CB ARG A 37 -7.476 6.354 -9.758 1.00 0.96 C ATOM 551 CG ARG A 37 -8.222 5.922 -11.010 1.00 1.49 C ATOM 552 CD ARG A 37 -9.727 6.044 -10.827 1.00 1.68 C ATOM 553 NE ARG A 37 -10.467 5.519 -11.980 1.00 2.53 N ATOM 554 CZ ARG A 37 -11.803 5.510 -12.090 1.00 2.93 C ATOM 555 NH1 ARG A 37 -12.578 5.997 -11.122 1.00 2.47 N ATOM 556 NH2 ARG A 37 -12.366 5.006 -13.180 1.00 3.94 N ATOM 0 H ARG A 37 -6.567 4.085 -9.530 1.00 0.79 H new ATOM 0 HA ARG A 37 -5.558 6.232 -10.788 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -7.909 5.845 -8.897 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -7.630 7.422 -9.607 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -7.905 6.535 -11.854 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -7.965 4.890 -11.251 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -10.027 5.506 -9.928 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -9.990 7.091 -10.674 1.00 1.68 H new ATOM 0 HE ARG A 37 -9.926 5.133 -12.754 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -12.157 6.386 -10.278 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -13.593 5.981 -11.225 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -11.783 4.629 -13.927 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -13.382 4.996 -13.271 1.00 3.94 H new ATOM 570 N SER A 38 -5.069 6.638 -7.622 1.00 1.00 N ATOM 571 CA SER A 38 -4.441 7.453 -6.563 1.00 1.16 C ATOM 572 C SER A 38 -3.027 7.961 -6.887 1.00 1.17 C ATOM 573 O SER A 38 -2.625 9.016 -6.386 1.00 1.33 O ATOM 574 CB SER A 38 -4.417 6.668 -5.251 1.00 1.37 C ATOM 575 OG SER A 38 -3.760 5.422 -5.411 1.00 1.82 O ATOM 0 H SER A 38 -5.333 5.703 -7.311 1.00 1.00 H new ATOM 0 HA SER A 38 -5.061 8.346 -6.478 1.00 1.16 H new ATOM 0 HB2 SER A 38 -3.911 7.253 -4.483 1.00 1.37 H new ATOM 0 HB3 SER A 38 -5.437 6.502 -4.905 1.00 1.37 H new ATOM 0 HG SER A 38 -4.349 4.800 -5.888 1.00 1.82 H new ATOM 581 N LEU A 39 -2.284 7.223 -7.712 1.00 1.11 N ATOM 582 CA LEU A 39 -0.918 7.600 -8.072 1.00 1.26 C ATOM 583 C LEU A 39 -0.840 8.631 -9.214 1.00 1.23 C ATOM 584 O LEU A 39 0.213 9.248 -9.407 1.00 1.39 O ATOM 585 CB LEU A 39 -0.061 6.357 -8.387 1.00 1.42 C ATOM 586 CG LEU A 39 -0.721 5.213 -9.174 1.00 1.43 C ATOM 587 CD1 LEU A 39 -0.880 5.558 -10.645 1.00 1.18 C ATOM 588 CD2 LEU A 39 0.085 3.934 -9.015 1.00 2.07 C ATOM 0 H LEU A 39 -2.607 6.358 -8.145 1.00 1.11 H new ATOM 0 HA LEU A 39 -0.506 8.096 -7.193 1.00 1.26 H new ATOM 0 HB2 LEU A 39 0.815 6.687 -8.946 1.00 1.42 H new ATOM 0 HB3 LEU A 39 0.299 5.950 -7.442 1.00 1.42 H new ATOM 0 HG LEU A 39 -1.719 5.061 -8.763 1.00 1.43 H new ATOM 0 HD11 LEU A 39 -1.350 4.724 -11.166 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -1.504 6.446 -10.745 1.00 1.18 H new ATOM 0 HD13 LEU A 39 0.100 5.752 -11.081 1.00 1.18 H new ATOM 0 HD21 LEU A 39 -0.392 3.131 -9.577 1.00 2.07 H new ATOM 0 HD22 LEU A 39 1.095 4.091 -9.393 1.00 2.07 H new ATOM 0 HD23 LEU A 39 0.131 3.662 -7.961 1.00 2.07 H new ATOM 600 N GLY A 40 -1.939 8.817 -9.962 1.00 1.12 N ATOM 601 CA GLY A 40 -1.949 9.806 -11.040 1.00 1.21 C ATOM 602 C GLY A 40 -1.957 9.224 -12.442 1.00 1.24 C ATOM 603 O GLY A 40 -1.393 9.820 -13.365 1.00 1.48 O ATOM 0 H GLY A 40 -2.813 8.305 -9.841 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -2.826 10.442 -10.921 1.00 1.21 H new ATOM 0 HA3 GLY A 40 -1.074 10.447 -10.933 1.00 1.21 H new ATOM 607 N GLN A 41 -2.590 8.071 -12.593 1.00 1.05 N ATOM 608 CA GLN A 41 -2.698 7.397 -13.894 1.00 1.08 C ATOM 609 C GLN A 41 -4.050 7.718 -14.550 1.00 1.03 C ATOM 610 O GLN A 41 -4.957 8.237 -13.891 1.00 1.04 O ATOM 611 CB GLN A 41 -2.528 5.880 -13.711 1.00 1.08 C ATOM 612 CG GLN A 41 -2.109 5.133 -14.973 1.00 1.30 C ATOM 613 CD GLN A 41 -2.118 3.629 -14.783 1.00 2.18 C ATOM 614 OE1 GLN A 41 -3.130 2.970 -15.012 1.00 2.69 O ATOM 615 NE2 GLN A 41 -0.987 3.079 -14.358 1.00 3.01 N ATOM 0 H GLN A 41 -3.043 7.572 -11.827 1.00 1.05 H new ATOM 0 HA GLN A 41 -1.907 7.760 -14.551 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -1.784 5.702 -12.935 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -3.469 5.462 -13.353 1.00 1.08 H new ATOM 0 HG2 GLN A 41 -2.782 5.398 -15.789 1.00 1.30 H new ATOM 0 HG3 GLN A 41 -1.110 5.454 -15.267 1.00 1.30 H new ATOM 0 HE21 GLN A 41 -0.171 3.664 -14.180 1.00 3.01 H new ATOM 0 HE22 GLN A 41 -0.934 2.071 -14.209 1.00 3.01 H new ATOM 624 N ASN A 42 -4.175 7.401 -15.853 1.00 1.26 N ATOM 625 CA ASN A 42 -5.413 7.640 -16.614 1.00 1.34 C ATOM 626 C ASN A 42 -6.582 6.804 -16.046 1.00 0.89 C ATOM 627 O ASN A 42 -6.588 5.576 -16.196 1.00 1.50 O ATOM 628 CB ASN A 42 -5.198 7.313 -18.098 1.00 2.22 C ATOM 629 CG ASN A 42 -4.317 8.331 -18.798 1.00 3.03 C ATOM 630 OD1 ASN A 42 -3.095 8.185 -18.845 1.00 3.77 O ATOM 631 ND2 ASN A 42 -4.935 9.370 -19.346 1.00 3.37 N ATOM 0 H ASN A 42 -3.428 6.976 -16.402 1.00 1.26 H new ATOM 0 HA ASN A 42 -5.671 8.695 -16.519 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -4.746 6.325 -18.187 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -6.164 7.268 -18.600 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -4.395 10.087 -19.830 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -5.950 9.451 -19.283 1.00 3.37 H new ATOM 638 N PRO A 43 -7.588 7.447 -15.365 1.00 1.06 N ATOM 639 CA PRO A 43 -8.733 6.723 -14.772 1.00 1.66 C ATOM 640 C PRO A 43 -9.663 6.073 -15.809 1.00 1.29 C ATOM 641 O PRO A 43 -10.645 6.678 -16.258 1.00 1.26 O ATOM 642 CB PRO A 43 -9.485 7.807 -13.975 1.00 2.73 C ATOM 643 CG PRO A 43 -8.549 8.960 -13.872 1.00 2.76 C ATOM 644 CD PRO A 43 -7.687 8.902 -15.097 1.00 1.85 C ATOM 0 HA PRO A 43 -8.387 5.886 -14.165 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -10.406 8.096 -14.481 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -9.765 7.442 -12.987 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -9.095 9.902 -13.823 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -7.946 8.893 -12.967 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -8.137 9.437 -15.933 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -6.708 9.348 -14.923 1.00 1.85 H new ATOM 652 N THR A 44 -9.320 4.840 -16.201 1.00 1.26 N ATOM 653 CA THR A 44 -10.120 4.077 -17.146 1.00 1.00 C ATOM 654 C THR A 44 -11.004 3.070 -16.425 1.00 0.85 C ATOM 655 O THR A 44 -10.650 2.560 -15.358 1.00 0.89 O ATOM 656 CB THR A 44 -9.250 3.329 -18.167 1.00 1.17 C ATOM 657 OG1 THR A 44 -7.861 3.507 -17.870 1.00 1.51 O ATOM 658 CG2 THR A 44 -9.528 3.840 -19.555 1.00 1.33 C ATOM 0 H THR A 44 -8.486 4.353 -15.871 1.00 1.26 H new ATOM 0 HA THR A 44 -10.740 4.799 -17.677 1.00 1.00 H new ATOM 0 HB THR A 44 -9.494 2.268 -18.111 1.00 1.17 H new ATOM 0 HG1 THR A 44 -7.328 3.311 -18.669 1.00 1.51 H new ATOM 0 HG21 THR A 44 -8.906 3.303 -20.272 1.00 1.33 H new ATOM 0 HG22 THR A 44 -10.579 3.682 -19.797 1.00 1.33 H new ATOM 0 HG23 THR A 44 -9.300 4.905 -19.603 1.00 1.33 H new ATOM 666 N GLU A 45 -12.156 2.800 -17.033 1.00 0.76 N ATOM 667 CA GLU A 45 -13.147 1.864 -16.494 1.00 0.72 C ATOM 668 C GLU A 45 -12.790 0.437 -16.866 1.00 0.71 C ATOM 669 O GLU A 45 -13.175 -0.500 -16.181 1.00 0.70 O ATOM 670 CB GLU A 45 -14.555 2.207 -16.994 1.00 0.79 C ATOM 671 CG GLU A 45 -15.134 3.474 -16.382 1.00 0.85 C ATOM 672 CD GLU A 45 -16.527 3.786 -16.895 1.00 1.41 C ATOM 673 OE1 GLU A 45 -16.638 4.499 -17.915 1.00 2.03 O ATOM 674 OE2 GLU A 45 -17.506 3.317 -16.278 1.00 1.97 O ATOM 0 H GLU A 45 -12.433 3.225 -17.918 1.00 0.76 H new ATOM 0 HA GLU A 45 -13.139 1.954 -15.408 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -14.528 2.318 -18.078 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -15.221 1.372 -16.776 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -15.166 3.368 -15.298 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -14.474 4.313 -16.601 1.00 0.85 H new ATOM 681 N ALA A 46 -12.127 0.286 -18.012 1.00 0.75 N ATOM 682 CA ALA A 46 -11.678 -1.006 -18.479 1.00 0.78 C ATOM 683 C ALA A 46 -10.294 -1.338 -17.951 1.00 0.76 C ATOM 684 O ALA A 46 -9.907 -2.499 -17.968 1.00 0.77 O ATOM 685 CB ALA A 46 -11.721 -1.080 -19.998 1.00 0.90 C ATOM 0 H ALA A 46 -11.891 1.059 -18.634 1.00 0.75 H new ATOM 0 HA ALA A 46 -12.364 -1.757 -18.087 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -11.378 -2.062 -20.324 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -12.743 -0.920 -20.341 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -11.072 -0.311 -20.418 1.00 0.90 H new ATOM 691 N GLU A 47 -9.546 -0.317 -17.481 1.00 0.77 N ATOM 692 CA GLU A 47 -8.185 -0.549 -16.933 1.00 0.81 C ATOM 693 C GLU A 47 -8.184 -1.576 -15.808 1.00 0.68 C ATOM 694 O GLU A 47 -7.242 -2.348 -15.683 1.00 0.62 O ATOM 695 CB GLU A 47 -7.551 0.747 -16.430 1.00 0.95 C ATOM 696 CG GLU A 47 -6.310 1.171 -17.211 1.00 1.30 C ATOM 697 CD GLU A 47 -5.068 0.363 -16.869 1.00 1.55 C ATOM 698 OE1 GLU A 47 -4.087 0.962 -16.384 1.00 2.16 O ATOM 699 OE2 GLU A 47 -5.076 -0.867 -17.091 1.00 2.13 O ATOM 0 H GLU A 47 -9.849 0.657 -17.468 1.00 0.77 H new ATOM 0 HA GLU A 47 -7.592 -0.940 -17.760 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -8.291 1.546 -16.481 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -7.284 0.626 -15.380 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -6.513 1.076 -18.278 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -6.112 2.225 -17.017 1.00 1.30 H new ATOM 706 N LEU A 48 -9.244 -1.577 -15.004 1.00 0.66 N ATOM 707 CA LEU A 48 -9.396 -2.527 -13.910 1.00 0.59 C ATOM 708 C LEU A 48 -9.862 -3.887 -14.445 1.00 0.55 C ATOM 709 O LEU A 48 -9.398 -4.923 -13.970 1.00 0.56 O ATOM 710 CB LEU A 48 -10.327 -1.954 -12.825 1.00 0.61 C ATOM 711 CG LEU A 48 -11.420 -0.976 -13.284 1.00 0.76 C ATOM 712 CD1 LEU A 48 -12.490 -1.703 -14.050 1.00 0.87 C ATOM 713 CD2 LEU A 48 -12.047 -0.229 -12.114 1.00 1.24 C ATOM 0 H LEU A 48 -10.019 -0.920 -15.094 1.00 0.66 H new ATOM 0 HA LEU A 48 -8.429 -2.692 -13.435 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -10.811 -2.789 -12.320 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -9.710 -1.447 -12.083 1.00 0.61 H new ATOM 0 HG LEU A 48 -10.940 -0.243 -13.933 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -13.255 -0.995 -14.367 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -12.050 -2.179 -14.927 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -12.941 -2.463 -13.412 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -12.814 0.451 -12.485 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -12.498 -0.944 -11.426 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -11.278 0.341 -11.592 1.00 1.24 H new ATOM 725 N GLN A 49 -10.772 -3.881 -15.440 1.00 0.57 N ATOM 726 CA GLN A 49 -11.233 -5.117 -16.092 1.00 0.60 C ATOM 727 C GLN A 49 -10.129 -5.686 -16.998 1.00 0.59 C ATOM 728 O GLN A 49 -10.112 -6.885 -17.292 1.00 0.61 O ATOM 729 CB GLN A 49 -12.501 -4.860 -16.919 1.00 0.67 C ATOM 730 CG GLN A 49 -13.742 -4.561 -16.087 1.00 0.80 C ATOM 731 CD GLN A 49 -14.912 -4.096 -16.932 1.00 1.03 C ATOM 732 OE1 GLN A 49 -15.081 -2.901 -17.174 1.00 1.67 O ATOM 733 NE2 GLN A 49 -15.726 -5.042 -17.386 1.00 1.52 N ATOM 0 H GLN A 49 -11.201 -3.032 -15.808 1.00 0.57 H new ATOM 0 HA GLN A 49 -11.467 -5.842 -15.313 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -12.318 -4.022 -17.592 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -12.697 -5.732 -17.542 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -14.030 -5.456 -15.536 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -13.504 -3.795 -15.349 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -15.547 -6.020 -17.160 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -16.530 -4.790 -17.961 1.00 1.52 H new ATOM 742 N ASP A 50 -9.213 -4.799 -17.430 1.00 0.58 N ATOM 743 CA ASP A 50 -8.074 -5.171 -18.275 1.00 0.57 C ATOM 744 C ASP A 50 -6.897 -5.613 -17.408 1.00 0.49 C ATOM 745 O ASP A 50 -6.221 -6.593 -17.731 1.00 0.48 O ATOM 746 CB ASP A 50 -7.649 -4.011 -19.182 1.00 0.63 C ATOM 747 CG ASP A 50 -8.577 -3.828 -20.368 1.00 1.03 C ATOM 748 OD1 ASP A 50 -8.678 -4.761 -21.193 1.00 1.83 O ATOM 749 OD2 ASP A 50 -9.195 -2.750 -20.478 1.00 1.48 O ATOM 0 H ASP A 50 -9.246 -3.806 -17.200 1.00 0.58 H new ATOM 0 HA ASP A 50 -8.386 -6.000 -18.910 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -7.623 -3.090 -18.600 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -6.636 -4.189 -19.542 1.00 0.63 H new ATOM 754 N MET A 51 -6.643 -4.869 -16.309 1.00 0.45 N ATOM 755 CA MET A 51 -5.557 -5.216 -15.367 1.00 0.41 C ATOM 756 C MET A 51 -5.726 -6.630 -14.790 1.00 0.39 C ATOM 757 O MET A 51 -4.730 -7.299 -14.499 1.00 0.38 O ATOM 758 CB MET A 51 -5.454 -4.207 -14.214 1.00 0.41 C ATOM 759 CG MET A 51 -4.601 -2.990 -14.532 1.00 0.48 C ATOM 760 SD MET A 51 -4.425 -1.889 -13.113 1.00 1.31 S ATOM 761 CE MET A 51 -3.469 -0.556 -13.829 1.00 1.31 C ATOM 0 H MET A 51 -7.169 -4.033 -16.054 1.00 0.45 H new ATOM 0 HA MET A 51 -4.635 -5.182 -15.948 1.00 0.41 H new ATOM 0 HB2 MET A 51 -6.457 -3.875 -13.945 1.00 0.41 H new ATOM 0 HB3 MET A 51 -5.040 -4.710 -13.340 1.00 0.41 H new ATOM 0 HG2 MET A 51 -3.614 -3.316 -14.861 1.00 0.48 H new ATOM 0 HG3 MET A 51 -5.048 -2.442 -15.361 1.00 0.48 H new ATOM 0 HE1 MET A 51 -2.819 -0.125 -13.068 1.00 1.31 H new ATOM 0 HE2 MET A 51 -2.862 -0.942 -14.648 1.00 1.31 H new ATOM 0 HE3 MET A 51 -4.143 0.212 -14.208 1.00 1.31 H new ATOM 771 N ILE A 52 -6.987 -7.081 -14.627 1.00 0.41 N ATOM 772 CA ILE A 52 -7.255 -8.430 -14.103 1.00 0.42 C ATOM 773 C ILE A 52 -7.251 -9.483 -15.228 1.00 0.46 C ATOM 774 O ILE A 52 -7.203 -10.680 -14.959 1.00 0.49 O ATOM 775 CB ILE A 52 -8.566 -8.564 -13.285 1.00 0.45 C ATOM 776 CG1 ILE A 52 -8.781 -7.338 -12.392 1.00 0.45 C ATOM 777 CG2 ILE A 52 -8.523 -9.829 -12.451 1.00 0.47 C ATOM 778 CD1 ILE A 52 -9.211 -7.585 -10.938 1.00 0.48 C ATOM 0 H ILE A 52 -7.822 -6.538 -14.848 1.00 0.41 H new ATOM 0 HA ILE A 52 -6.435 -8.612 -13.409 1.00 0.42 H new ATOM 0 HB ILE A 52 -9.405 -8.624 -13.978 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -7.853 -6.767 -12.376 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -9.535 -6.707 -12.863 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -9.446 -9.919 -11.878 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -8.417 -10.693 -13.106 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -7.675 -9.786 -11.768 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -9.325 -6.630 -10.425 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -10.161 -8.120 -10.925 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -8.452 -8.181 -10.430 1.00 0.48 H new ATOM 790 N ASN A 53 -7.302 -9.020 -16.482 1.00 0.49 N ATOM 791 CA ASN A 53 -7.328 -9.880 -17.655 1.00 0.56 C ATOM 792 C ASN A 53 -5.986 -10.567 -17.880 1.00 0.58 C ATOM 793 O ASN A 53 -5.919 -11.785 -18.056 1.00 0.65 O ATOM 794 CB ASN A 53 -7.636 -9.002 -18.842 1.00 0.58 C ATOM 795 CG ASN A 53 -8.784 -9.514 -19.690 1.00 0.65 C ATOM 796 OD1 ASN A 53 -9.943 -9.168 -19.461 1.00 1.27 O ATOM 797 ND2 ASN A 53 -8.467 -10.346 -20.676 1.00 1.35 N ATOM 0 H ASN A 53 -7.326 -8.025 -16.706 1.00 0.49 H new ATOM 0 HA ASN A 53 -8.077 -10.660 -17.517 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -7.874 -7.998 -18.490 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -6.744 -8.918 -19.463 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -9.198 -10.724 -21.279 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -7.493 -10.606 -20.830 1.00 1.35 H new ATOM 804 N GLU A 54 -4.929 -9.752 -17.890 1.00 0.55 N ATOM 805 CA GLU A 54 -3.556 -10.247 -18.093 1.00 0.59 C ATOM 806 C GLU A 54 -2.979 -10.907 -16.849 1.00 0.57 C ATOM 807 O GLU A 54 -2.123 -11.791 -16.953 1.00 0.62 O ATOM 808 CB GLU A 54 -2.632 -9.127 -18.581 1.00 0.61 C ATOM 809 CG GLU A 54 -2.879 -8.711 -20.024 1.00 0.79 C ATOM 810 CD GLU A 54 -1.946 -7.607 -20.480 1.00 1.15 C ATOM 811 OE1 GLU A 54 -0.857 -7.928 -21.001 1.00 1.78 O ATOM 812 OE2 GLU A 54 -2.304 -6.422 -20.317 1.00 1.82 O ATOM 0 H GLU A 54 -4.993 -8.742 -17.760 1.00 0.55 H new ATOM 0 HA GLU A 54 -3.617 -11.015 -18.864 1.00 0.59 H new ATOM 0 HB2 GLU A 54 -2.758 -8.258 -17.936 1.00 0.61 H new ATOM 0 HB3 GLU A 54 -1.597 -9.452 -18.479 1.00 0.61 H new ATOM 0 HG2 GLU A 54 -2.756 -9.577 -20.674 1.00 0.79 H new ATOM 0 HG3 GLU A 54 -3.911 -8.377 -20.130 1.00 0.79 H new ATOM 819 N VAL A 55 -3.447 -10.478 -15.689 1.00 0.50 N ATOM 820 CA VAL A 55 -3.014 -11.065 -14.425 1.00 0.48 C ATOM 821 C VAL A 55 -4.199 -11.876 -13.884 1.00 0.48 C ATOM 822 O VAL A 55 -4.417 -11.992 -12.675 1.00 0.45 O ATOM 823 CB VAL A 55 -2.529 -9.988 -13.397 1.00 0.44 C ATOM 824 CG1 VAL A 55 -1.646 -10.623 -12.325 1.00 0.47 C ATOM 825 CG2 VAL A 55 -1.764 -8.859 -14.086 1.00 0.48 C ATOM 0 H VAL A 55 -4.128 -9.725 -15.593 1.00 0.50 H new ATOM 0 HA VAL A 55 -2.148 -11.706 -14.588 1.00 0.48 H new ATOM 0 HB VAL A 55 -3.418 -9.566 -12.928 1.00 0.44 H new ATOM 0 HG11 VAL A 55 -1.320 -9.857 -11.621 1.00 0.47 H new ATOM 0 HG12 VAL A 55 -2.212 -11.387 -11.793 1.00 0.47 H new ATOM 0 HG13 VAL A 55 -0.774 -11.079 -12.795 1.00 0.47 H new ATOM 0 HG21 VAL A 55 -1.443 -8.130 -13.342 1.00 0.48 H new ATOM 0 HG22 VAL A 55 -0.891 -9.268 -14.594 1.00 0.48 H new ATOM 0 HG23 VAL A 55 -2.412 -8.372 -14.815 1.00 0.48 H new ATOM 835 N ASP A 56 -4.932 -12.479 -14.839 1.00 0.55 N ATOM 836 CA ASP A 56 -6.152 -13.262 -14.564 1.00 0.60 C ATOM 837 C ASP A 56 -5.956 -14.485 -13.657 1.00 0.61 C ATOM 838 O ASP A 56 -5.273 -15.449 -14.020 1.00 0.65 O ATOM 839 CB ASP A 56 -6.817 -13.692 -15.890 1.00 0.75 C ATOM 840 CG ASP A 56 -5.907 -14.514 -16.798 1.00 0.98 C ATOM 841 OD1 ASP A 56 -4.837 -14.002 -17.190 1.00 1.58 O ATOM 842 OD2 ASP A 56 -6.269 -15.667 -17.113 1.00 1.87 O ATOM 0 H ASP A 56 -4.693 -12.436 -15.830 1.00 0.55 H new ATOM 0 HA ASP A 56 -6.800 -12.589 -14.002 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -7.711 -14.273 -15.665 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -7.143 -12.802 -16.428 1.00 0.75 H new ATOM 847 N ALA A 57 -6.562 -14.406 -12.463 1.00 0.59 N ATOM 848 CA ALA A 57 -6.555 -15.508 -11.496 1.00 0.62 C ATOM 849 C ALA A 57 -7.736 -16.422 -11.786 1.00 0.68 C ATOM 850 O ALA A 57 -7.604 -17.645 -11.881 1.00 0.74 O ATOM 851 CB ALA A 57 -6.651 -14.974 -10.074 1.00 0.60 C ATOM 0 H ALA A 57 -7.068 -13.580 -12.144 1.00 0.59 H new ATOM 0 HA ALA A 57 -5.621 -16.063 -11.589 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -6.644 -15.807 -9.371 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -5.801 -14.322 -9.872 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -7.576 -14.410 -9.959 1.00 0.60 H new ATOM 857 N ASP A 58 -8.885 -15.772 -11.918 1.00 0.68 N ATOM 858 CA ASP A 58 -10.148 -16.416 -12.238 1.00 0.75 C ATOM 859 C ASP A 58 -10.631 -15.922 -13.612 1.00 0.75 C ATOM 860 O ASP A 58 -11.422 -16.587 -14.288 1.00 0.83 O ATOM 861 CB ASP A 58 -11.144 -16.120 -11.104 1.00 0.77 C ATOM 862 CG ASP A 58 -12.584 -16.507 -11.414 1.00 0.90 C ATOM 863 OD1 ASP A 58 -13.427 -15.596 -11.548 1.00 1.36 O ATOM 864 OD2 ASP A 58 -12.863 -17.720 -11.522 1.00 1.62 O ATOM 0 H ASP A 58 -8.964 -14.762 -11.803 1.00 0.68 H new ATOM 0 HA ASP A 58 -10.043 -17.499 -12.310 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -10.823 -16.650 -10.207 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -11.108 -15.055 -10.874 1.00 0.77 H new ATOM 869 N GLY A 59 -10.130 -14.738 -13.993 1.00 0.68 N ATOM 870 CA GLY A 59 -10.404 -14.123 -15.285 1.00 0.68 C ATOM 871 C GLY A 59 -11.808 -13.626 -15.483 1.00 0.72 C ATOM 872 O GLY A 59 -12.198 -13.299 -16.609 1.00 0.75 O ATOM 0 H GLY A 59 -9.516 -14.179 -13.400 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -9.719 -13.286 -15.422 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -10.181 -14.849 -16.067 1.00 0.68 H new ATOM 876 N ASN A 60 -12.569 -13.568 -14.399 1.00 0.73 N ATOM 877 CA ASN A 60 -13.898 -13.022 -14.446 1.00 0.78 C ATOM 878 C ASN A 60 -13.790 -11.585 -13.964 1.00 0.72 C ATOM 879 O ASN A 60 -14.776 -10.932 -13.597 1.00 0.77 O ATOM 880 CB ASN A 60 -14.873 -13.852 -13.595 1.00 0.86 C ATOM 881 CG ASN A 60 -16.325 -13.635 -13.983 1.00 1.28 C ATOM 882 OD1 ASN A 60 -16.861 -14.334 -14.843 1.00 1.86 O ATOM 883 ND2 ASN A 60 -16.968 -12.662 -13.349 1.00 2.03 N ATOM 0 H ASN A 60 -12.278 -13.896 -13.478 1.00 0.73 H new ATOM 0 HA ASN A 60 -14.303 -13.051 -15.458 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -14.628 -14.909 -13.698 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -14.740 -13.595 -12.544 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -17.945 -12.469 -13.568 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -16.485 -12.107 -12.643 1.00 2.03 H new ATOM 890 N GLY A 61 -12.535 -11.114 -14.010 1.00 0.64 N ATOM 891 CA GLY A 61 -12.198 -9.785 -13.565 1.00 0.59 C ATOM 892 C GLY A 61 -11.881 -9.784 -12.088 1.00 0.56 C ATOM 893 O GLY A 61 -12.050 -8.789 -11.383 1.00 0.56 O ATOM 0 H GLY A 61 -11.741 -11.652 -14.357 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -11.341 -9.414 -14.127 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -13.028 -9.107 -13.765 1.00 0.59 H new ATOM 897 N THR A 62 -11.431 -10.941 -11.643 1.00 0.56 N ATOM 898 CA THR A 62 -11.113 -11.176 -10.249 1.00 0.54 C ATOM 899 C THR A 62 -9.731 -11.759 -10.059 1.00 0.50 C ATOM 900 O THR A 62 -9.344 -12.711 -10.744 1.00 0.51 O ATOM 901 CB THR A 62 -12.104 -12.136 -9.584 1.00 0.59 C ATOM 902 OG1 THR A 62 -12.867 -12.851 -10.567 1.00 0.65 O ATOM 903 CG2 THR A 62 -13.035 -11.388 -8.645 1.00 0.62 C ATOM 0 H THR A 62 -11.275 -11.750 -12.244 1.00 0.56 H new ATOM 0 HA THR A 62 -11.168 -10.192 -9.783 1.00 0.54 H new ATOM 0 HB THR A 62 -11.527 -12.856 -9.003 1.00 0.59 H new ATOM 0 HG1 THR A 62 -12.796 -13.814 -10.399 1.00 0.65 H new ATOM 0 HG21 THR A 62 -13.729 -12.091 -8.185 1.00 0.62 H new ATOM 0 HG22 THR A 62 -12.450 -10.895 -7.869 1.00 0.62 H new ATOM 0 HG23 THR A 62 -13.595 -10.640 -9.207 1.00 0.62 H new ATOM 911 N ILE A 63 -8.996 -11.172 -9.120 1.00 0.47 N ATOM 912 CA ILE A 63 -7.672 -11.623 -8.787 1.00 0.45 C ATOM 913 C ILE A 63 -7.654 -12.086 -7.326 1.00 0.46 C ATOM 914 O ILE A 63 -8.280 -11.485 -6.457 1.00 0.48 O ATOM 915 CB ILE A 63 -6.625 -10.524 -9.083 1.00 0.41 C ATOM 916 CG1 ILE A 63 -5.417 -11.081 -9.836 1.00 0.40 C ATOM 917 CG2 ILE A 63 -6.185 -9.830 -7.820 1.00 0.43 C ATOM 918 CD1 ILE A 63 -4.586 -10.001 -10.502 1.00 0.42 C ATOM 0 H ILE A 63 -9.312 -10.370 -8.575 1.00 0.47 H new ATOM 0 HA ILE A 63 -7.399 -12.474 -9.411 1.00 0.45 H new ATOM 0 HB ILE A 63 -7.110 -9.789 -9.725 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -4.789 -11.639 -9.142 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -5.761 -11.786 -10.593 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -5.449 -9.064 -8.063 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -7.047 -9.366 -7.340 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -5.740 -10.558 -7.141 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -3.743 -10.458 -11.020 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -5.202 -9.458 -11.219 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -4.215 -9.309 -9.746 1.00 0.42 H new ATOM 930 N ASP A 64 -6.956 -13.169 -7.099 1.00 0.48 N ATOM 931 CA ASP A 64 -6.844 -13.799 -5.783 1.00 0.51 C ATOM 932 C ASP A 64 -5.654 -13.250 -4.977 1.00 0.54 C ATOM 933 O ASP A 64 -4.953 -12.342 -5.435 1.00 0.54 O ATOM 934 CB ASP A 64 -6.718 -15.309 -5.982 1.00 0.57 C ATOM 935 CG ASP A 64 -8.048 -15.969 -6.293 1.00 0.65 C ATOM 936 OD1 ASP A 64 -8.745 -16.376 -5.340 1.00 1.25 O ATOM 937 OD2 ASP A 64 -8.391 -16.078 -7.489 1.00 1.33 O ATOM 0 H ASP A 64 -6.435 -13.656 -7.828 1.00 0.48 H new ATOM 0 HA ASP A 64 -7.738 -13.569 -5.203 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -6.019 -15.508 -6.795 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -6.296 -15.756 -5.082 1.00 0.57 H new ATOM 942 N PHE A 65 -5.439 -13.814 -3.771 1.00 0.62 N ATOM 943 CA PHE A 65 -4.347 -13.394 -2.873 1.00 0.73 C ATOM 944 C PHE A 65 -2.932 -13.746 -3.399 1.00 0.78 C ATOM 945 O PHE A 65 -2.012 -12.949 -3.194 1.00 0.86 O ATOM 946 CB PHE A 65 -4.545 -13.946 -1.439 1.00 0.82 C ATOM 947 CG PHE A 65 -4.912 -15.410 -1.343 1.00 0.82 C ATOM 948 CD1 PHE A 65 -6.219 -15.830 -1.544 1.00 1.39 C ATOM 949 CD2 PHE A 65 -3.947 -16.359 -1.041 1.00 1.51 C ATOM 950 CE1 PHE A 65 -6.554 -17.167 -1.448 1.00 1.43 C ATOM 951 CE2 PHE A 65 -4.277 -17.698 -0.945 1.00 1.52 C ATOM 952 CZ PHE A 65 -5.582 -18.102 -1.149 1.00 0.90 C ATOM 0 H PHE A 65 -6.014 -14.568 -3.395 1.00 0.62 H new ATOM 0 HA PHE A 65 -4.403 -12.306 -2.845 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -3.625 -13.784 -0.877 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -5.325 -13.362 -0.950 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -6.983 -15.104 -1.778 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -2.925 -16.048 -0.879 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -7.575 -17.481 -1.607 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -3.516 -18.427 -0.711 1.00 1.52 H new ATOM 0 HZ PHE A 65 -5.842 -19.148 -1.075 1.00 0.90 H new ATOM 962 N PRO A 66 -2.705 -14.920 -4.080 1.00 0.79 N ATOM 963 CA PRO A 66 -1.373 -15.288 -4.594 1.00 0.89 C ATOM 964 C PRO A 66 -1.012 -14.596 -5.918 1.00 0.79 C ATOM 965 O PRO A 66 0.158 -14.568 -6.301 1.00 0.82 O ATOM 966 CB PRO A 66 -1.468 -16.812 -4.807 1.00 0.98 C ATOM 967 CG PRO A 66 -2.825 -17.219 -4.325 1.00 0.91 C ATOM 968 CD PRO A 66 -3.675 -15.988 -4.401 1.00 0.75 C ATOM 0 HA PRO A 66 -0.593 -14.980 -3.898 1.00 0.89 H new ATOM 0 HB2 PRO A 66 -1.336 -17.067 -5.859 1.00 0.98 H new ATOM 0 HB3 PRO A 66 -0.686 -17.332 -4.253 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -3.236 -18.016 -4.944 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -2.779 -17.599 -3.305 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -4.113 -15.856 -5.390 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -4.499 -16.017 -3.688 1.00 0.75 H new ATOM 976 N GLU A 67 -2.027 -14.063 -6.615 1.00 0.69 N ATOM 977 CA GLU A 67 -1.832 -13.406 -7.903 1.00 0.63 C ATOM 978 C GLU A 67 -1.533 -11.905 -7.811 1.00 0.62 C ATOM 979 O GLU A 67 -0.574 -11.452 -8.443 1.00 0.66 O ATOM 980 CB GLU A 67 -3.026 -13.657 -8.812 1.00 0.61 C ATOM 981 CG GLU A 67 -3.044 -15.045 -9.447 1.00 0.70 C ATOM 982 CD GLU A 67 -2.127 -15.159 -10.653 1.00 1.12 C ATOM 983 OE1 GLU A 67 -2.597 -14.907 -11.782 1.00 1.71 O ATOM 984 OE2 GLU A 67 -0.940 -15.499 -10.465 1.00 1.94 O ATOM 0 H GLU A 67 -2.997 -14.078 -6.299 1.00 0.69 H new ATOM 0 HA GLU A 67 -0.936 -13.856 -8.331 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -3.942 -13.520 -8.237 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -3.031 -12.907 -9.603 1.00 0.61 H new ATOM 0 HG2 GLU A 67 -2.748 -15.783 -8.702 1.00 0.70 H new ATOM 0 HG3 GLU A 67 -4.063 -15.287 -9.748 1.00 0.70 H new ATOM 991 N PHE A 68 -2.342 -11.120 -7.049 1.00 0.63 N ATOM 992 CA PHE A 68 -2.116 -9.661 -6.948 1.00 0.72 C ATOM 993 C PHE A 68 -0.673 -9.277 -6.576 1.00 0.79 C ATOM 994 O PHE A 68 -0.158 -8.262 -7.047 1.00 0.87 O ATOM 995 CB PHE A 68 -3.131 -8.944 -6.014 1.00 0.88 C ATOM 996 CG PHE A 68 -3.162 -9.323 -4.542 1.00 0.91 C ATOM 997 CD1 PHE A 68 -2.053 -9.165 -3.717 1.00 1.54 C ATOM 998 CD2 PHE A 68 -4.340 -9.782 -3.976 1.00 1.84 C ATOM 999 CE1 PHE A 68 -2.122 -9.463 -2.370 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -4.412 -10.085 -2.631 1.00 2.44 C ATOM 1001 CZ PHE A 68 -3.304 -9.924 -1.827 1.00 2.37 C ATOM 0 H PHE A 68 -3.136 -11.466 -6.510 1.00 0.63 H new ATOM 0 HA PHE A 68 -2.289 -9.301 -7.962 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -2.937 -7.873 -6.076 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -4.129 -9.111 -6.420 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -1.125 -8.804 -4.136 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -5.216 -9.905 -4.596 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -1.252 -9.335 -1.743 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -5.337 -10.448 -2.208 1.00 2.44 H new ATOM 0 HZ PHE A 68 -3.361 -10.158 -0.774 1.00 2.37 H new ATOM 1011 N LEU A 69 -0.036 -10.102 -5.746 1.00 0.81 N ATOM 1012 CA LEU A 69 1.336 -9.845 -5.289 1.00 0.89 C ATOM 1013 C LEU A 69 2.415 -10.395 -6.206 1.00 0.84 C ATOM 1014 O LEU A 69 3.574 -10.035 -6.048 1.00 0.89 O ATOM 1015 CB LEU A 69 1.586 -10.383 -3.891 1.00 0.99 C ATOM 1016 CG LEU A 69 0.967 -11.746 -3.608 1.00 0.97 C ATOM 1017 CD1 LEU A 69 1.681 -12.843 -4.383 1.00 0.92 C ATOM 1018 CD2 LEU A 69 1.018 -12.050 -2.134 1.00 1.14 C ATOM 0 H LEU A 69 -0.447 -10.958 -5.373 1.00 0.81 H new ATOM 0 HA LEU A 69 1.408 -8.757 -5.296 1.00 0.89 H new ATOM 0 HB2 LEU A 69 2.662 -10.448 -3.730 1.00 0.99 H new ATOM 0 HB3 LEU A 69 1.198 -9.667 -3.167 1.00 0.99 H new ATOM 0 HG LEU A 69 -0.073 -11.714 -3.932 1.00 0.97 H new ATOM 0 HD11 LEU A 69 1.218 -13.805 -4.162 1.00 0.92 H new ATOM 0 HD12 LEU A 69 1.606 -12.641 -5.452 1.00 0.92 H new ATOM 0 HD13 LEU A 69 2.731 -12.870 -4.092 1.00 0.92 H new ATOM 0 HD21 LEU A 69 0.572 -13.027 -1.948 1.00 1.14 H new ATOM 0 HD22 LEU A 69 2.055 -12.055 -1.799 1.00 1.14 H new ATOM 0 HD23 LEU A 69 0.464 -11.288 -1.586 1.00 1.14 H new ATOM 1030 N THR A 70 2.050 -11.309 -7.115 1.00 0.78 N ATOM 1031 CA THR A 70 3.016 -11.934 -8.048 1.00 0.78 C ATOM 1032 C THR A 70 3.934 -10.890 -8.702 1.00 0.80 C ATOM 1033 O THR A 70 5.001 -11.229 -9.218 1.00 0.79 O ATOM 1034 CB THR A 70 2.274 -12.804 -9.106 1.00 0.80 C ATOM 1035 OG1 THR A 70 1.454 -13.766 -8.437 1.00 0.79 O ATOM 1036 CG2 THR A 70 3.234 -13.546 -10.039 1.00 0.88 C ATOM 0 H THR A 70 1.091 -11.637 -7.229 1.00 0.78 H new ATOM 0 HA THR A 70 3.662 -12.595 -7.470 1.00 0.78 H new ATOM 0 HB THR A 70 1.674 -12.126 -9.714 1.00 0.80 H new ATOM 0 HG1 THR A 70 1.571 -13.679 -7.468 1.00 0.79 H new ATOM 0 HG21 THR A 70 2.662 -14.136 -10.755 1.00 0.88 H new ATOM 0 HG22 THR A 70 3.852 -12.825 -10.574 1.00 0.88 H new ATOM 0 HG23 THR A 70 3.873 -14.207 -9.453 1.00 0.88 H new ATOM 1044 N MET A 71 3.494 -9.634 -8.665 1.00 0.87 N ATOM 1045 CA MET A 71 4.269 -8.520 -9.164 1.00 0.96 C ATOM 1046 C MET A 71 5.191 -7.971 -8.077 1.00 0.97 C ATOM 1047 O MET A 71 6.282 -7.495 -8.382 1.00 1.00 O ATOM 1048 CB MET A 71 3.361 -7.426 -9.729 1.00 1.10 C ATOM 1049 CG MET A 71 2.732 -7.791 -11.062 1.00 1.15 C ATOM 1050 SD MET A 71 3.934 -7.855 -12.405 1.00 1.66 S ATOM 1051 CE MET A 71 2.882 -8.308 -13.781 1.00 1.68 C ATOM 0 H MET A 71 2.585 -9.368 -8.285 1.00 0.87 H new ATOM 0 HA MET A 71 4.894 -8.881 -9.981 1.00 0.96 H new ATOM 0 HB2 MET A 71 2.571 -7.213 -9.009 1.00 1.10 H new ATOM 0 HB3 MET A 71 3.939 -6.510 -9.848 1.00 1.10 H new ATOM 0 HG2 MET A 71 2.240 -8.760 -10.974 1.00 1.15 H new ATOM 0 HG3 MET A 71 1.959 -7.062 -11.306 1.00 1.15 H new ATOM 0 HE1 MET A 71 3.482 -8.387 -14.687 1.00 1.68 H new ATOM 0 HE2 MET A 71 2.407 -9.267 -13.576 1.00 1.68 H new ATOM 0 HE3 MET A 71 2.115 -7.546 -13.919 1.00 1.68 H new ATOM 1061 N MET A 72 4.757 -8.037 -6.804 1.00 0.99 N ATOM 1062 CA MET A 72 5.604 -7.594 -5.695 1.00 1.06 C ATOM 1063 C MET A 72 6.483 -8.758 -5.283 1.00 0.94 C ATOM 1064 O MET A 72 7.558 -8.581 -4.704 1.00 0.95 O ATOM 1065 CB MET A 72 4.777 -7.061 -4.526 1.00 1.23 C ATOM 1066 CG MET A 72 4.019 -5.774 -4.837 1.00 1.37 C ATOM 1067 SD MET A 72 5.090 -4.441 -5.429 1.00 2.19 S ATOM 1068 CE MET A 72 5.018 -4.659 -7.212 1.00 3.08 C ATOM 0 H MET A 72 3.840 -8.387 -6.527 1.00 0.99 H new ATOM 0 HA MET A 72 6.228 -6.760 -6.018 1.00 1.06 H new ATOM 0 HB2 MET A 72 4.063 -7.826 -4.221 1.00 1.23 H new ATOM 0 HB3 MET A 72 5.438 -6.885 -3.677 1.00 1.23 H new ATOM 0 HG2 MET A 72 3.258 -5.981 -5.589 1.00 1.37 H new ATOM 0 HG3 MET A 72 3.498 -5.441 -3.939 1.00 1.37 H new ATOM 0 HE1 MET A 72 5.919 -5.170 -7.553 1.00 3.08 H new ATOM 0 HE2 MET A 72 4.143 -5.255 -7.471 1.00 3.08 H new ATOM 0 HE3 MET A 72 4.949 -3.684 -7.695 1.00 3.08 H new ATOM 1078 N ALA A 73 5.983 -9.959 -5.602 1.00 0.86 N ATOM 1079 CA ALA A 73 6.715 -11.194 -5.419 1.00 0.79 C ATOM 1080 C ALA A 73 7.697 -11.303 -6.580 1.00 0.71 C ATOM 1081 O ALA A 73 8.644 -12.091 -6.536 1.00 0.68 O ATOM 1082 CB ALA A 73 5.778 -12.393 -5.379 1.00 0.80 C ATOM 0 H ALA A 73 5.051 -10.089 -5.996 1.00 0.86 H new ATOM 0 HA ALA A 73 7.243 -11.188 -4.465 1.00 0.79 H new ATOM 0 HB1 ALA A 73 6.359 -13.305 -5.241 1.00 0.80 H new ATOM 0 HB2 ALA A 73 5.078 -12.280 -4.551 1.00 0.80 H new ATOM 0 HB3 ALA A 73 5.225 -12.454 -6.316 1.00 0.80 H new ATOM 1088 N ARG A 74 7.431 -10.496 -7.647 1.00 0.72 N ATOM 1089 CA ARG A 74 8.277 -10.411 -8.786 1.00 0.71 C ATOM 1090 C ARG A 74 9.497 -9.581 -8.439 1.00 0.73 C ATOM 1091 O ARG A 74 10.607 -9.925 -8.826 1.00 0.68 O ATOM 1092 CB ARG A 74 7.475 -9.749 -9.904 1.00 0.83 C ATOM 1093 CG ARG A 74 8.288 -9.262 -11.078 1.00 0.91 C ATOM 1094 CD ARG A 74 8.549 -10.353 -12.109 1.00 1.12 C ATOM 1095 NE ARG A 74 9.233 -9.833 -13.298 1.00 1.47 N ATOM 1096 CZ ARG A 74 9.598 -10.574 -14.355 1.00 1.90 C ATOM 1097 NH1 ARG A 74 9.353 -11.882 -14.396 1.00 2.18 N ATOM 1098 NH2 ARG A 74 10.213 -9.997 -15.378 1.00 2.55 N ATOM 0 H ARG A 74 6.607 -9.897 -7.703 1.00 0.72 H new ATOM 0 HA ARG A 74 8.615 -11.397 -9.105 1.00 0.71 H new ATOM 0 HB2 ARG A 74 6.733 -10.460 -10.267 1.00 0.83 H new ATOM 0 HB3 ARG A 74 6.929 -8.904 -9.486 1.00 0.83 H new ATOM 0 HG2 ARG A 74 7.766 -8.433 -11.557 1.00 0.91 H new ATOM 0 HG3 ARG A 74 9.241 -8.873 -10.718 1.00 0.91 H new ATOM 0 HD2 ARG A 74 9.153 -11.140 -11.659 1.00 1.12 H new ATOM 0 HD3 ARG A 74 7.603 -10.807 -12.404 1.00 1.12 H new ATOM 0 HE ARG A 74 9.447 -8.836 -13.323 1.00 1.47 H new ATOM 0 HH11 ARG A 74 8.880 -12.337 -13.615 1.00 2.18 H new ATOM 0 HH12 ARG A 74 9.638 -12.429 -15.208 1.00 2.18 H new ATOM 0 HH21 ARG A 74 10.406 -8.996 -15.358 1.00 2.55 H new ATOM 0 HH22 ARG A 74 10.493 -10.554 -16.185 1.00 2.55 H new ATOM 1112 N LYS A 75 9.265 -8.453 -7.740 1.00 0.86 N ATOM 1113 CA LYS A 75 10.342 -7.593 -7.277 1.00 0.95 C ATOM 1114 C LYS A 75 11.323 -8.395 -6.413 1.00 0.90 C ATOM 1115 O LYS A 75 12.447 -7.963 -6.144 1.00 0.96 O ATOM 1116 CB LYS A 75 9.748 -6.422 -6.503 1.00 1.19 C ATOM 1117 CG LYS A 75 8.480 -5.892 -7.161 1.00 1.28 C ATOM 1118 CD LYS A 75 8.768 -5.006 -8.359 1.00 1.40 C ATOM 1119 CE LYS A 75 8.968 -3.543 -7.974 1.00 2.25 C ATOM 1120 NZ LYS A 75 9.253 -2.689 -9.160 1.00 2.99 N ATOM 0 H LYS A 75 8.332 -8.125 -7.489 1.00 0.86 H new ATOM 0 HA LYS A 75 10.898 -7.201 -8.129 1.00 0.95 H new ATOM 0 HB2 LYS A 75 9.524 -6.737 -5.484 1.00 1.19 H new ATOM 0 HB3 LYS A 75 10.484 -5.621 -6.435 1.00 1.19 H new ATOM 0 HG2 LYS A 75 7.861 -6.732 -7.476 1.00 1.28 H new ATOM 0 HG3 LYS A 75 7.903 -5.328 -6.428 1.00 1.28 H new ATOM 0 HD2 LYS A 75 9.661 -5.369 -8.868 1.00 1.40 H new ATOM 0 HD3 LYS A 75 7.944 -5.082 -9.068 1.00 1.40 H new ATOM 0 HE2 LYS A 75 8.075 -3.176 -7.469 1.00 2.25 H new ATOM 0 HE3 LYS A 75 9.791 -3.464 -7.264 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 8.940 -1.716 -8.970 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 10.275 -2.692 -9.353 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 8.744 -3.062 -9.987 1.00 2.99 H new ATOM 1134 N MET A 76 10.841 -9.577 -5.982 1.00 0.85 N ATOM 1135 CA MET A 76 11.614 -10.534 -5.214 1.00 0.93 C ATOM 1136 C MET A 76 12.495 -11.330 -6.176 1.00 0.83 C ATOM 1137 O MET A 76 13.658 -11.613 -5.874 1.00 0.93 O ATOM 1138 CB MET A 76 10.706 -11.493 -4.430 1.00 1.07 C ATOM 1139 CG MET A 76 9.635 -10.797 -3.610 1.00 0.96 C ATOM 1140 SD MET A 76 8.531 -11.951 -2.772 1.00 1.64 S ATOM 1141 CE MET A 76 7.557 -10.826 -1.775 1.00 2.37 C ATOM 0 H MET A 76 9.887 -9.885 -6.168 1.00 0.85 H new ATOM 0 HA MET A 76 12.224 -9.993 -4.491 1.00 0.93 H new ATOM 0 HB2 MET A 76 10.226 -12.177 -5.130 1.00 1.07 H new ATOM 0 HB3 MET A 76 11.322 -12.098 -3.765 1.00 1.07 H new ATOM 0 HG2 MET A 76 10.112 -10.155 -2.869 1.00 0.96 H new ATOM 0 HG3 MET A 76 9.049 -10.150 -4.262 1.00 0.96 H new ATOM 0 HE1 MET A 76 6.792 -11.386 -1.237 1.00 2.37 H new ATOM 0 HE2 MET A 76 8.205 -10.319 -1.060 1.00 2.37 H new ATOM 0 HE3 MET A 76 7.081 -10.088 -2.420 1.00 2.37 H new ATOM 1151 N LYS A 77 11.916 -11.688 -7.348 1.00 0.72 N ATOM 1152 CA LYS A 77 12.649 -12.415 -8.378 1.00 0.79 C ATOM 1153 C LYS A 77 13.385 -11.452 -9.339 1.00 0.78 C ATOM 1154 O LYS A 77 14.213 -11.878 -10.148 1.00 0.91 O ATOM 1155 CB LYS A 77 11.712 -13.387 -9.116 1.00 0.86 C ATOM 1156 CG LYS A 77 10.641 -12.760 -10.005 1.00 0.76 C ATOM 1157 CD LYS A 77 9.262 -13.350 -9.694 1.00 0.89 C ATOM 1158 CE LYS A 77 9.126 -14.813 -10.125 1.00 0.96 C ATOM 1159 NZ LYS A 77 7.775 -15.359 -9.816 1.00 1.75 N ATOM 0 H LYS A 77 10.947 -11.480 -7.590 1.00 0.72 H new ATOM 0 HA LYS A 77 13.424 -13.012 -7.897 1.00 0.79 H new ATOM 0 HB2 LYS A 77 12.322 -14.047 -9.732 1.00 0.86 H new ATOM 0 HB3 LYS A 77 11.216 -14.012 -8.374 1.00 0.86 H new ATOM 0 HG2 LYS A 77 10.622 -11.681 -9.853 1.00 0.76 H new ATOM 0 HG3 LYS A 77 10.887 -12.931 -11.053 1.00 0.76 H new ATOM 0 HD2 LYS A 77 9.073 -13.273 -8.623 1.00 0.89 H new ATOM 0 HD3 LYS A 77 8.498 -12.757 -10.196 1.00 0.89 H new ATOM 0 HE2 LYS A 77 9.315 -14.895 -11.195 1.00 0.96 H new ATOM 0 HE3 LYS A 77 9.884 -15.412 -9.621 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 7.723 -16.351 -10.123 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 7.604 -15.304 -8.792 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 7.053 -14.803 -10.318 1.00 1.75 H new ATOM 1173 N ASP A 78 13.057 -10.156 -9.224 1.00 0.74 N ATOM 1174 CA ASP A 78 13.661 -9.089 -10.035 1.00 0.79 C ATOM 1175 C ASP A 78 14.090 -7.915 -9.145 1.00 0.77 C ATOM 1176 O ASP A 78 13.245 -7.256 -8.529 1.00 0.80 O ATOM 1177 CB ASP A 78 12.662 -8.596 -11.088 1.00 0.84 C ATOM 1178 CG ASP A 78 12.391 -9.626 -12.169 1.00 1.19 C ATOM 1179 OD1 ASP A 78 12.972 -9.501 -13.268 1.00 1.66 O ATOM 1180 OD2 ASP A 78 11.601 -10.559 -11.916 1.00 1.92 O ATOM 0 H ASP A 78 12.360 -9.817 -8.561 1.00 0.74 H new ATOM 0 HA ASP A 78 14.541 -9.494 -10.535 1.00 0.79 H new ATOM 0 HB2 ASP A 78 11.724 -8.335 -10.598 1.00 0.84 H new ATOM 0 HB3 ASP A 78 13.046 -7.685 -11.548 1.00 0.84 H new ATOM 1185 N THR A 79 15.408 -7.663 -9.076 1.00 0.79 N ATOM 1186 CA THR A 79 15.953 -6.578 -8.255 1.00 0.82 C ATOM 1187 C THR A 79 15.998 -5.243 -8.994 1.00 0.73 C ATOM 1188 O THR A 79 16.802 -4.355 -8.682 1.00 0.78 O ATOM 1189 CB THR A 79 17.344 -6.911 -7.673 1.00 0.99 C ATOM 1190 OG1 THR A 79 18.242 -7.292 -8.723 1.00 1.03 O ATOM 1191 CG2 THR A 79 17.261 -8.025 -6.637 1.00 1.15 C ATOM 0 H THR A 79 16.114 -8.199 -9.581 1.00 0.79 H new ATOM 0 HA THR A 79 15.257 -6.476 -7.423 1.00 0.82 H new ATOM 0 HB THR A 79 17.721 -6.015 -7.180 1.00 0.99 H new ATOM 0 HG1 THR A 79 19.121 -7.499 -8.343 1.00 1.03 H new ATOM 0 HG21 THR A 79 18.257 -8.235 -6.247 1.00 1.15 H new ATOM 0 HG22 THR A 79 16.610 -7.714 -5.820 1.00 1.15 H new ATOM 0 HG23 THR A 79 16.856 -8.924 -7.101 1.00 1.15 H new ATOM 1199 N ASP A 80 15.101 -5.116 -9.960 1.00 0.66 N ATOM 1200 CA ASP A 80 14.948 -3.900 -10.755 1.00 0.67 C ATOM 1201 C ASP A 80 14.078 -2.880 -9.992 1.00 0.66 C ATOM 1202 O ASP A 80 13.693 -1.836 -10.529 1.00 0.74 O ATOM 1203 CB ASP A 80 14.325 -4.240 -12.117 1.00 0.77 C ATOM 1204 CG ASP A 80 14.643 -3.209 -13.186 1.00 1.18 C ATOM 1205 OD1 ASP A 80 15.675 -3.364 -13.872 1.00 1.72 O ATOM 1206 OD2 ASP A 80 13.860 -2.248 -13.336 1.00 1.86 O ATOM 0 H ASP A 80 14.452 -5.859 -10.219 1.00 0.66 H new ATOM 0 HA ASP A 80 15.928 -3.455 -10.927 1.00 0.67 H new ATOM 0 HB2 ASP A 80 14.685 -5.216 -12.442 1.00 0.77 H new ATOM 0 HB3 ASP A 80 13.244 -4.320 -12.007 1.00 0.77 H new ATOM 1211 N SER A 81 13.805 -3.210 -8.719 1.00 0.67 N ATOM 1212 CA SER A 81 12.971 -2.399 -7.827 1.00 0.75 C ATOM 1213 C SER A 81 13.667 -1.128 -7.310 1.00 0.68 C ATOM 1214 O SER A 81 12.987 -0.208 -6.855 1.00 0.76 O ATOM 1215 CB SER A 81 12.538 -3.267 -6.647 1.00 0.92 C ATOM 1216 OG SER A 81 11.664 -2.571 -5.771 1.00 1.07 O ATOM 0 H SER A 81 14.163 -4.058 -8.279 1.00 0.67 H new ATOM 0 HA SER A 81 12.114 -2.056 -8.407 1.00 0.75 H new ATOM 0 HB2 SER A 81 12.042 -4.163 -7.019 1.00 0.92 H new ATOM 0 HB3 SER A 81 13.419 -3.596 -6.096 1.00 0.92 H new ATOM 0 HG SER A 81 11.408 -3.159 -5.030 1.00 1.07 H new ATOM 1222 N GLU A 82 15.010 -1.075 -7.374 1.00 0.62 N ATOM 1223 CA GLU A 82 15.767 0.101 -6.895 1.00 0.63 C ATOM 1224 C GLU A 82 15.524 1.330 -7.785 1.00 0.57 C ATOM 1225 O GLU A 82 15.577 2.468 -7.309 1.00 0.58 O ATOM 1226 CB GLU A 82 17.268 -0.210 -6.824 1.00 0.72 C ATOM 1227 CG GLU A 82 18.047 0.729 -5.905 1.00 0.78 C ATOM 1228 CD GLU A 82 19.535 0.440 -5.899 1.00 1.34 C ATOM 1229 OE1 GLU A 82 19.976 -0.387 -5.074 1.00 1.65 O ATOM 1230 OE2 GLU A 82 20.259 1.041 -6.720 1.00 2.12 O ATOM 0 H GLU A 82 15.591 -1.825 -7.749 1.00 0.62 H new ATOM 0 HA GLU A 82 15.407 0.333 -5.893 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.402 -1.235 -6.479 1.00 0.72 H new ATOM 0 HB3 GLU A 82 17.689 -0.154 -7.828 1.00 0.72 H new ATOM 0 HG2 GLU A 82 17.882 1.759 -6.221 1.00 0.78 H new ATOM 0 HG3 GLU A 82 17.660 0.641 -4.890 1.00 0.78 H new ATOM 1237 N GLU A 83 15.262 1.082 -9.072 1.00 0.55 N ATOM 1238 CA GLU A 83 14.993 2.147 -10.043 1.00 0.58 C ATOM 1239 C GLU A 83 13.528 2.592 -9.978 1.00 0.59 C ATOM 1240 O GLU A 83 13.209 3.753 -10.250 1.00 0.65 O ATOM 1241 CB GLU A 83 15.330 1.662 -11.457 1.00 0.64 C ATOM 1242 CG GLU A 83 16.823 1.621 -11.752 1.00 0.71 C ATOM 1243 CD GLU A 83 17.125 1.146 -13.160 1.00 0.94 C ATOM 1244 OE1 GLU A 83 17.296 -0.076 -13.350 1.00 1.76 O ATOM 1245 OE2 GLU A 83 17.191 1.997 -14.072 1.00 1.27 O ATOM 0 H GLU A 83 15.230 0.143 -9.468 1.00 0.55 H new ATOM 0 HA GLU A 83 15.621 3.003 -9.795 1.00 0.58 H new ATOM 0 HB2 GLU A 83 14.914 0.665 -11.598 1.00 0.64 H new ATOM 0 HB3 GLU A 83 14.844 2.316 -12.181 1.00 0.64 H new ATOM 0 HG2 GLU A 83 17.245 2.616 -11.609 1.00 0.71 H new ATOM 0 HG3 GLU A 83 17.313 0.961 -11.037 1.00 0.71 H new ATOM 1252 N GLU A 84 12.651 1.648 -9.611 1.00 0.60 N ATOM 1253 CA GLU A 84 11.205 1.896 -9.497 1.00 0.68 C ATOM 1254 C GLU A 84 10.821 2.430 -8.109 1.00 0.63 C ATOM 1255 O GLU A 84 9.781 3.065 -7.961 1.00 0.69 O ATOM 1256 CB GLU A 84 10.399 0.603 -9.756 1.00 0.80 C ATOM 1257 CG GLU A 84 11.017 -0.372 -10.761 1.00 1.14 C ATOM 1258 CD GLU A 84 10.864 0.079 -12.204 1.00 1.74 C ATOM 1259 OE1 GLU A 84 9.853 -0.289 -12.837 1.00 2.23 O ATOM 1260 OE2 GLU A 84 11.756 0.801 -12.697 1.00 2.31 O ATOM 0 H GLU A 84 12.922 0.691 -9.385 1.00 0.60 H new ATOM 0 HA GLU A 84 10.964 2.647 -10.249 1.00 0.68 H new ATOM 0 HB2 GLU A 84 10.266 0.083 -8.807 1.00 0.80 H new ATOM 0 HB3 GLU A 84 9.406 0.880 -10.110 1.00 0.80 H new ATOM 0 HG2 GLU A 84 12.076 -0.493 -10.535 1.00 1.14 H new ATOM 0 HG3 GLU A 84 10.552 -1.350 -10.642 1.00 1.14 H new ATOM 1267 N ILE A 85 11.682 2.176 -7.110 1.00 0.57 N ATOM 1268 CA ILE A 85 11.443 2.561 -5.703 1.00 0.54 C ATOM 1269 C ILE A 85 11.320 4.087 -5.473 1.00 0.50 C ATOM 1270 O ILE A 85 10.712 4.514 -4.486 1.00 0.50 O ATOM 1271 CB ILE A 85 12.546 1.917 -4.798 1.00 0.54 C ATOM 1272 CG1 ILE A 85 12.045 1.683 -3.366 1.00 0.52 C ATOM 1273 CG2 ILE A 85 13.845 2.725 -4.782 1.00 0.57 C ATOM 1274 CD1 ILE A 85 12.270 0.265 -2.881 1.00 0.57 C ATOM 0 H ILE A 85 12.570 1.695 -7.253 1.00 0.57 H new ATOM 0 HA ILE A 85 10.465 2.171 -5.423 1.00 0.54 H new ATOM 0 HB ILE A 85 12.770 0.949 -5.247 1.00 0.54 H new ATOM 0 HG12 ILE A 85 12.551 2.375 -2.693 1.00 0.52 H new ATOM 0 HG13 ILE A 85 10.980 1.912 -3.318 1.00 0.52 H new ATOM 0 HG21 ILE A 85 14.573 2.231 -4.138 1.00 0.57 H new ATOM 0 HG22 ILE A 85 14.243 2.794 -5.794 1.00 0.57 H new ATOM 0 HG23 ILE A 85 13.646 3.727 -4.402 1.00 0.57 H new ATOM 0 HD11 ILE A 85 11.894 0.165 -1.863 1.00 0.57 H new ATOM 0 HD12 ILE A 85 11.742 -0.431 -3.533 1.00 0.57 H new ATOM 0 HD13 ILE A 85 13.336 0.040 -2.898 1.00 0.57 H new ATOM 1286 N ARG A 86 11.894 4.887 -6.375 1.00 0.50 N ATOM 1287 CA ARG A 86 11.832 6.357 -6.271 1.00 0.50 C ATOM 1288 C ARG A 86 10.552 6.906 -6.911 1.00 0.52 C ATOM 1289 O ARG A 86 10.032 7.939 -6.480 1.00 0.53 O ATOM 1290 CB ARG A 86 13.075 7.019 -6.880 1.00 0.54 C ATOM 1291 CG ARG A 86 13.757 6.192 -7.946 1.00 1.10 C ATOM 1292 CD ARG A 86 14.799 7.007 -8.685 1.00 1.26 C ATOM 1293 NE ARG A 86 15.444 6.242 -9.757 1.00 1.79 N ATOM 1294 CZ ARG A 86 16.230 6.770 -10.706 1.00 2.08 C ATOM 1295 NH1 ARG A 86 16.489 8.077 -10.739 1.00 1.78 N ATOM 1296 NH2 ARG A 86 16.762 5.981 -11.630 1.00 2.95 N ATOM 0 H ARG A 86 12.408 4.547 -7.188 1.00 0.50 H new ATOM 0 HA ARG A 86 11.812 6.605 -5.210 1.00 0.50 H new ATOM 0 HB2 ARG A 86 12.788 7.979 -7.309 1.00 0.54 H new ATOM 0 HB3 ARG A 86 13.790 7.226 -6.084 1.00 0.54 H new ATOM 0 HG2 ARG A 86 14.228 5.322 -7.489 1.00 1.10 H new ATOM 0 HG3 ARG A 86 13.015 5.819 -8.652 1.00 1.10 H new ATOM 0 HD2 ARG A 86 14.330 7.896 -9.107 1.00 1.26 H new ATOM 0 HD3 ARG A 86 15.556 7.350 -7.980 1.00 1.26 H new ATOM 0 HE ARG A 86 15.283 5.235 -9.782 1.00 1.79 H new ATOM 0 HH11 ARG A 86 16.087 8.695 -10.034 1.00 1.78 H new ATOM 0 HH12 ARG A 86 17.090 8.460 -11.469 1.00 1.78 H new ATOM 0 HH21 ARG A 86 16.572 4.979 -11.616 1.00 2.95 H new ATOM 0 HH22 ARG A 86 17.361 6.376 -12.355 1.00 2.95 H new ATOM 1310 N GLU A 87 10.057 6.205 -7.943 1.00 0.57 N ATOM 1311 CA GLU A 87 8.801 6.569 -8.621 1.00 0.63 C ATOM 1312 C GLU A 87 7.647 5.947 -7.852 1.00 0.62 C ATOM 1313 O GLU A 87 6.524 6.457 -7.852 1.00 0.65 O ATOM 1314 CB GLU A 87 8.802 6.091 -10.074 1.00 0.73 C ATOM 1315 CG GLU A 87 9.872 6.747 -10.935 1.00 0.77 C ATOM 1316 CD GLU A 87 9.935 6.167 -12.334 1.00 1.39 C ATOM 1317 OE1 GLU A 87 10.706 5.207 -12.544 1.00 2.08 O ATOM 1318 OE2 GLU A 87 9.213 6.672 -13.220 1.00 2.02 O ATOM 0 H GLU A 87 10.511 5.377 -8.329 1.00 0.57 H new ATOM 0 HA GLU A 87 8.696 7.654 -8.639 1.00 0.63 H new ATOM 0 HB2 GLU A 87 8.947 5.011 -10.091 1.00 0.73 H new ATOM 0 HB3 GLU A 87 7.824 6.289 -10.513 1.00 0.73 H new ATOM 0 HG2 GLU A 87 9.676 7.817 -10.998 1.00 0.77 H new ATOM 0 HG3 GLU A 87 10.843 6.629 -10.453 1.00 0.77 H new ATOM 1325 N ALA A 88 7.968 4.821 -7.198 1.00 0.60 N ATOM 1326 CA ALA A 88 7.051 4.114 -6.309 1.00 0.62 C ATOM 1327 C ALA A 88 6.881 4.952 -5.051 1.00 0.55 C ATOM 1328 O ALA A 88 5.958 4.750 -4.267 1.00 0.56 O ATOM 1329 CB ALA A 88 7.575 2.729 -5.989 1.00 0.70 C ATOM 0 H ALA A 88 8.882 4.376 -7.276 1.00 0.60 H new ATOM 0 HA ALA A 88 6.083 3.978 -6.791 1.00 0.62 H new ATOM 0 HB1 ALA A 88 6.876 2.220 -5.325 1.00 0.70 H new ATOM 0 HB2 ALA A 88 7.681 2.158 -6.911 1.00 0.70 H new ATOM 0 HB3 ALA A 88 8.546 2.811 -5.500 1.00 0.70 H new ATOM 1335 N PHE A 89 7.839 5.881 -4.868 1.00 0.51 N ATOM 1336 CA PHE A 89 7.813 6.842 -3.773 1.00 0.49 C ATOM 1337 C PHE A 89 6.805 7.922 -4.098 1.00 0.47 C ATOM 1338 O PHE A 89 6.064 8.380 -3.225 1.00 0.47 O ATOM 1339 CB PHE A 89 9.147 7.560 -3.570 1.00 0.51 C ATOM 1340 CG PHE A 89 9.421 7.849 -2.122 1.00 0.53 C ATOM 1341 CD1 PHE A 89 10.047 6.912 -1.320 1.00 1.27 C ATOM 1342 CD2 PHE A 89 9.023 9.053 -1.562 1.00 1.19 C ATOM 1343 CE1 PHE A 89 10.272 7.169 0.015 1.00 1.29 C ATOM 1344 CE2 PHE A 89 9.249 9.318 -0.228 1.00 1.22 C ATOM 1345 CZ PHE A 89 9.871 8.376 0.562 1.00 0.65 C ATOM 0 H PHE A 89 8.649 5.978 -5.481 1.00 0.51 H new ATOM 0 HA PHE A 89 7.571 6.276 -2.873 1.00 0.49 H new ATOM 0 HB2 PHE A 89 9.953 6.948 -3.975 1.00 0.51 H new ATOM 0 HB3 PHE A 89 9.144 8.495 -4.131 1.00 0.51 H new ATOM 0 HD1 PHE A 89 10.362 5.970 -1.744 1.00 1.27 H new ATOM 0 HD2 PHE A 89 8.531 9.791 -2.177 1.00 1.19 H new ATOM 0 HE1 PHE A 89 10.760 6.430 0.633 1.00 1.29 H new ATOM 0 HE2 PHE A 89 8.939 10.261 0.197 1.00 1.22 H new ATOM 0 HZ PHE A 89 10.046 8.579 1.608 1.00 0.65 H new ATOM 1355 N ARG A 90 6.791 8.325 -5.386 1.00 0.50 N ATOM 1356 CA ARG A 90 5.890 9.364 -5.851 1.00 0.54 C ATOM 1357 C ARG A 90 4.421 8.925 -5.734 1.00 0.54 C ATOM 1358 O ARG A 90 3.503 9.748 -5.795 1.00 0.60 O ATOM 1359 CB ARG A 90 6.228 9.764 -7.295 1.00 0.62 C ATOM 1360 CG ARG A 90 7.033 11.059 -7.417 1.00 1.26 C ATOM 1361 CD ARG A 90 8.528 10.832 -7.215 1.00 1.50 C ATOM 1362 NE ARG A 90 9.172 10.283 -8.414 1.00 2.03 N ATOM 1363 CZ ARG A 90 10.498 10.156 -8.578 1.00 2.50 C ATOM 1364 NH1 ARG A 90 11.350 10.533 -7.626 1.00 2.61 N ATOM 1365 NH2 ARG A 90 10.972 9.652 -9.709 1.00 3.17 N ATOM 0 H ARG A 90 7.397 7.939 -6.110 1.00 0.50 H new ATOM 0 HA ARG A 90 6.025 10.236 -5.211 1.00 0.54 H new ATOM 0 HB2 ARG A 90 6.790 8.955 -7.762 1.00 0.62 H new ATOM 0 HB3 ARG A 90 5.300 9.872 -7.856 1.00 0.62 H new ATOM 0 HG2 ARG A 90 6.864 11.498 -8.400 1.00 1.26 H new ATOM 0 HG3 ARG A 90 6.674 11.778 -6.681 1.00 1.26 H new ATOM 0 HD2 ARG A 90 9.004 11.775 -6.948 1.00 1.50 H new ATOM 0 HD3 ARG A 90 8.681 10.150 -6.378 1.00 1.50 H new ATOM 0 HE ARG A 90 8.569 9.976 -9.177 1.00 2.03 H new ATOM 0 HH11 ARG A 90 10.998 10.926 -6.753 1.00 2.61 H new ATOM 0 HH12 ARG A 90 12.354 10.428 -7.770 1.00 2.61 H new ATOM 0 HH21 ARG A 90 10.330 9.364 -10.447 1.00 3.17 H new ATOM 0 HH22 ARG A 90 11.979 9.553 -9.841 1.00 3.17 H new ATOM 1379 N VAL A 91 4.236 7.606 -5.569 1.00 0.51 N ATOM 1380 CA VAL A 91 2.935 6.964 -5.397 1.00 0.53 C ATOM 1381 C VAL A 91 2.160 7.574 -4.209 1.00 0.54 C ATOM 1382 O VAL A 91 0.960 7.848 -4.295 1.00 0.60 O ATOM 1383 CB VAL A 91 3.167 5.436 -5.181 1.00 0.51 C ATOM 1384 CG1 VAL A 91 3.145 5.035 -3.705 1.00 0.47 C ATOM 1385 CG2 VAL A 91 2.185 4.626 -5.994 1.00 0.59 C ATOM 0 H VAL A 91 5.012 6.944 -5.552 1.00 0.51 H new ATOM 0 HA VAL A 91 2.329 7.127 -6.288 1.00 0.53 H new ATOM 0 HB VAL A 91 4.173 5.213 -5.537 1.00 0.51 H new ATOM 0 HG11 VAL A 91 3.312 3.961 -3.617 1.00 0.47 H new ATOM 0 HG12 VAL A 91 3.931 5.569 -3.171 1.00 0.47 H new ATOM 0 HG13 VAL A 91 2.177 5.288 -3.274 1.00 0.47 H new ATOM 0 HG21 VAL A 91 2.365 3.564 -5.829 1.00 0.59 H new ATOM 0 HG22 VAL A 91 1.168 4.874 -5.689 1.00 0.59 H new ATOM 0 HG23 VAL A 91 2.312 4.855 -7.052 1.00 0.59 H new ATOM 1395 N PHE A 92 2.901 7.768 -3.114 1.00 0.49 N ATOM 1396 CA PHE A 92 2.403 8.323 -1.879 1.00 0.54 C ATOM 1397 C PHE A 92 2.850 9.782 -1.794 1.00 0.60 C ATOM 1398 O PHE A 92 2.111 10.642 -1.304 1.00 0.69 O ATOM 1399 CB PHE A 92 2.934 7.448 -0.708 1.00 0.53 C ATOM 1400 CG PHE A 92 2.618 7.852 0.720 1.00 1.18 C ATOM 1401 CD1 PHE A 92 2.703 9.163 1.165 1.00 1.94 C ATOM 1402 CD2 PHE A 92 2.272 6.871 1.633 1.00 1.92 C ATOM 1403 CE1 PHE A 92 2.443 9.482 2.478 1.00 2.69 C ATOM 1404 CE2 PHE A 92 2.010 7.184 2.945 1.00 2.68 C ATOM 1405 CZ PHE A 92 2.094 8.492 3.373 1.00 2.89 C ATOM 0 H PHE A 92 3.892 7.532 -3.075 1.00 0.49 H new ATOM 0 HA PHE A 92 1.314 8.315 -1.826 1.00 0.54 H new ATOM 0 HB2 PHE A 92 2.553 6.437 -0.855 1.00 0.53 H new ATOM 0 HB3 PHE A 92 4.019 7.397 -0.802 1.00 0.53 H new ATOM 0 HD1 PHE A 92 2.977 9.944 0.471 1.00 1.94 H new ATOM 0 HD2 PHE A 92 2.207 5.843 1.309 1.00 1.92 H new ATOM 0 HE1 PHE A 92 2.512 10.508 2.808 1.00 2.69 H new ATOM 0 HE2 PHE A 92 1.738 6.405 3.642 1.00 2.68 H new ATOM 0 HZ PHE A 92 1.888 8.740 4.404 1.00 2.89 H new ATOM 1415 N ALA A 93 4.064 10.044 -2.302 1.00 0.57 N ATOM 1416 CA ALA A 93 4.628 11.392 -2.309 1.00 0.66 C ATOM 1417 C ALA A 93 4.164 12.196 -3.520 1.00 0.85 C ATOM 1418 O ALA A 93 4.593 11.950 -4.655 1.00 1.63 O ATOM 1419 CB ALA A 93 6.153 11.380 -2.250 1.00 0.65 C ATOM 0 H ALA A 93 4.671 9.335 -2.713 1.00 0.57 H new ATOM 0 HA ALA A 93 4.256 11.877 -1.407 1.00 0.66 H new ATOM 0 HB1 ALA A 93 6.525 12.404 -2.258 1.00 0.65 H new ATOM 0 HB2 ALA A 93 6.478 10.882 -1.336 1.00 0.65 H new ATOM 0 HB3 ALA A 93 6.546 10.845 -3.114 1.00 0.65 H new ATOM 1425 N LYS A 94 3.265 13.143 -3.261 1.00 1.24 N ATOM 1426 CA LYS A 94 2.743 14.031 -4.300 1.00 1.42 C ATOM 1427 C LYS A 94 3.513 15.348 -4.286 1.00 1.36 C ATOM 1428 O LYS A 94 3.268 16.239 -5.108 1.00 1.78 O ATOM 1429 CB LYS A 94 1.247 14.287 -4.091 1.00 1.75 C ATOM 1430 CG LYS A 94 0.371 13.063 -4.319 1.00 2.06 C ATOM 1431 CD LYS A 94 -1.099 13.382 -4.100 1.00 2.52 C ATOM 1432 CE LYS A 94 -1.974 12.161 -4.335 1.00 2.90 C ATOM 1433 NZ LYS A 94 -3.417 12.464 -4.126 1.00 3.37 N ATOM 0 H LYS A 94 2.880 13.317 -2.333 1.00 1.24 H new ATOM 0 HA LYS A 94 2.873 13.551 -5.270 1.00 1.42 H new ATOM 0 HB2 LYS A 94 1.089 14.650 -3.075 1.00 1.75 H new ATOM 0 HB3 LYS A 94 0.927 15.081 -4.766 1.00 1.75 H new ATOM 0 HG2 LYS A 94 0.517 12.694 -5.334 1.00 2.06 H new ATOM 0 HG3 LYS A 94 0.676 12.265 -3.642 1.00 2.06 H new ATOM 0 HD2 LYS A 94 -1.246 13.746 -3.083 1.00 2.52 H new ATOM 0 HD3 LYS A 94 -1.403 14.184 -4.773 1.00 2.52 H new ATOM 0 HE2 LYS A 94 -1.823 11.796 -5.351 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -1.670 11.361 -3.660 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -3.759 11.961 -3.282 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 -3.541 13.488 -3.993 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 -3.961 12.155 -4.957 1.00 3.37 H new ATOM 1447 N ASP A 95 4.459 15.445 -3.342 1.00 1.40 N ATOM 1448 CA ASP A 95 5.304 16.626 -3.184 1.00 1.71 C ATOM 1449 C ASP A 95 6.414 16.670 -4.236 1.00 1.53 C ATOM 1450 O ASP A 95 7.063 17.704 -4.419 1.00 1.84 O ATOM 1451 CB ASP A 95 5.916 16.665 -1.779 1.00 2.30 C ATOM 1452 CG ASP A 95 4.889 16.965 -0.703 1.00 2.81 C ATOM 1453 OD1 ASP A 95 4.295 16.006 -0.165 1.00 3.23 O ATOM 1454 OD2 ASP A 95 4.679 18.157 -0.398 1.00 3.21 O ATOM 0 H ASP A 95 4.656 14.705 -2.669 1.00 1.40 H new ATOM 0 HA ASP A 95 4.670 17.501 -3.324 1.00 1.71 H new ATOM 0 HB2 ASP A 95 6.390 15.707 -1.567 1.00 2.30 H new ATOM 0 HB3 ASP A 95 6.700 17.422 -1.749 1.00 2.30 H new ATOM 1459 N GLY A 96 6.611 15.538 -4.931 1.00 1.38 N ATOM 1460 CA GLY A 96 7.644 15.435 -5.966 1.00 1.83 C ATOM 1461 C GLY A 96 9.065 15.618 -5.446 1.00 1.85 C ATOM 1462 O GLY A 96 9.969 15.971 -6.209 1.00 2.43 O ATOM 0 H GLY A 96 6.068 14.685 -4.793 1.00 1.38 H new ATOM 0 HA2 GLY A 96 7.567 14.459 -6.446 1.00 1.83 H new ATOM 0 HA3 GLY A 96 7.450 16.184 -6.734 1.00 1.83 H new ATOM 1466 N ASN A 97 9.249 15.374 -4.149 1.00 1.55 N ATOM 1467 CA ASN A 97 10.547 15.515 -3.498 1.00 1.99 C ATOM 1468 C ASN A 97 10.864 14.310 -2.617 1.00 1.78 C ATOM 1469 O ASN A 97 12.020 13.885 -2.532 1.00 2.66 O ATOM 1470 CB ASN A 97 10.611 16.799 -2.667 1.00 2.43 C ATOM 1471 CG ASN A 97 10.702 18.047 -3.525 1.00 3.41 C ATOM 1472 OD1 ASN A 97 11.793 18.471 -3.909 1.00 4.01 O ATOM 1473 ND2 ASN A 97 9.557 18.646 -3.825 1.00 4.00 N ATOM 0 H ASN A 97 8.502 15.074 -3.522 1.00 1.55 H new ATOM 0 HA ASN A 97 11.297 15.571 -4.287 1.00 1.99 H new ATOM 0 HB2 ASN A 97 9.726 16.862 -2.034 1.00 2.43 H new ATOM 0 HB3 ASN A 97 11.475 16.755 -2.004 1.00 2.43 H new ATOM 0 HD21 ASN A 97 9.558 19.492 -4.395 1.00 4.00 H new ATOM 0 HD22 ASN A 97 8.676 18.261 -3.486 1.00 4.00 H new ATOM 1480 N GLY A 98 9.829 13.769 -1.968 1.00 1.20 N ATOM 1481 CA GLY A 98 9.999 12.607 -1.109 1.00 1.80 C ATOM 1482 C GLY A 98 9.876 12.900 0.380 1.00 1.46 C ATOM 1483 O GLY A 98 10.325 12.094 1.194 1.00 1.68 O ATOM 0 H GLY A 98 8.872 14.119 -2.024 1.00 1.20 H new ATOM 0 HA2 GLY A 98 9.256 11.857 -1.382 1.00 1.80 H new ATOM 0 HA3 GLY A 98 10.979 12.169 -1.301 1.00 1.80 H new ATOM 1487 N TYR A 99 9.251 14.030 0.738 1.00 1.07 N ATOM 1488 CA TYR A 99 9.051 14.397 2.148 1.00 0.84 C ATOM 1489 C TYR A 99 7.593 14.133 2.519 1.00 0.81 C ATOM 1490 O TYR A 99 6.698 14.909 2.157 1.00 0.96 O ATOM 1491 CB TYR A 99 9.392 15.880 2.400 1.00 1.07 C ATOM 1492 CG TYR A 99 10.846 16.246 2.182 1.00 1.57 C ATOM 1493 CD1 TYR A 99 11.711 16.401 3.259 1.00 2.28 C ATOM 1494 CD2 TYR A 99 11.352 16.441 0.903 1.00 2.37 C ATOM 1495 CE1 TYR A 99 13.037 16.739 3.067 1.00 3.13 C ATOM 1496 CE2 TYR A 99 12.677 16.778 0.702 1.00 3.24 C ATOM 1497 CZ TYR A 99 13.515 16.925 1.787 1.00 3.46 C ATOM 1498 OH TYR A 99 14.835 17.261 1.591 1.00 4.47 O ATOM 0 H TYR A 99 8.875 14.705 0.072 1.00 1.07 H new ATOM 0 HA TYR A 99 9.718 13.795 2.765 1.00 0.84 H new ATOM 0 HB2 TYR A 99 8.775 16.496 1.745 1.00 1.07 H new ATOM 0 HB3 TYR A 99 9.119 16.132 3.425 1.00 1.07 H new ATOM 0 HD1 TYR A 99 11.340 16.255 4.263 1.00 2.28 H new ATOM 0 HD2 TYR A 99 10.698 16.327 0.051 1.00 2.37 H new ATOM 0 HE1 TYR A 99 13.695 16.857 3.915 1.00 3.13 H new ATOM 0 HE2 TYR A 99 13.054 16.925 -0.299 1.00 3.24 H new ATOM 0 HH TYR A 99 15.010 17.354 0.631 1.00 4.47 H new ATOM 1508 N ILE A 100 7.354 13.021 3.220 1.00 1.17 N ATOM 1509 CA ILE A 100 5.992 12.640 3.604 1.00 1.39 C ATOM 1510 C ILE A 100 5.853 12.252 5.082 1.00 1.13 C ATOM 1511 O ILE A 100 6.371 11.230 5.534 1.00 1.43 O ATOM 1512 CB ILE A 100 5.423 11.505 2.704 1.00 2.12 C ATOM 1513 CG1 ILE A 100 6.401 10.328 2.548 1.00 2.36 C ATOM 1514 CG2 ILE A 100 5.043 12.052 1.338 1.00 2.84 C ATOM 1515 CD1 ILE A 100 6.069 9.158 3.442 1.00 3.08 C ATOM 0 H ILE A 100 8.079 12.374 3.531 1.00 1.17 H new ATOM 0 HA ILE A 100 5.401 13.543 3.450 1.00 1.39 H new ATOM 0 HB ILE A 100 4.533 11.121 3.204 1.00 2.12 H new ATOM 0 HG12 ILE A 100 6.398 9.996 1.510 1.00 2.36 H new ATOM 0 HG13 ILE A 100 7.411 10.671 2.770 1.00 2.36 H new ATOM 0 HG21 ILE A 100 4.647 11.246 0.721 1.00 2.84 H new ATOM 0 HG22 ILE A 100 4.285 12.826 1.454 1.00 2.84 H new ATOM 0 HG23 ILE A 100 5.925 12.477 0.858 1.00 2.84 H new ATOM 0 HD11 ILE A 100 6.796 8.361 3.284 1.00 3.08 H new ATOM 0 HD12 ILE A 100 6.100 9.476 4.484 1.00 3.08 H new ATOM 0 HD13 ILE A 100 5.071 8.790 3.204 1.00 3.08 H new ATOM 1527 N SER A 101 5.132 13.104 5.814 1.00 0.79 N ATOM 1528 CA SER A 101 4.827 12.936 7.222 1.00 0.64 C ATOM 1529 C SER A 101 4.116 11.635 7.508 1.00 0.64 C ATOM 1530 O SER A 101 3.345 11.128 6.688 1.00 0.70 O ATOM 1531 CB SER A 101 3.976 14.108 7.718 1.00 0.71 C ATOM 1532 OG SER A 101 4.644 15.342 7.520 1.00 1.45 O ATOM 0 H SER A 101 4.734 13.957 5.422 1.00 0.79 H new ATOM 0 HA SER A 101 5.778 12.913 7.755 1.00 0.64 H new ATOM 0 HB2 SER A 101 3.022 14.118 7.190 1.00 0.71 H new ATOM 0 HB3 SER A 101 3.753 13.977 8.777 1.00 0.71 H new ATOM 0 HG SER A 101 4.080 16.075 7.843 1.00 1.45 H new ATOM 1538 N ALA A 102 4.400 11.110 8.696 1.00 0.72 N ATOM 1539 CA ALA A 102 3.803 9.884 9.197 1.00 0.83 C ATOM 1540 C ALA A 102 2.294 10.054 9.356 1.00 0.77 C ATOM 1541 O ALA A 102 1.552 9.082 9.522 1.00 0.87 O ATOM 1542 CB ALA A 102 4.443 9.543 10.519 1.00 1.01 C ATOM 0 H ALA A 102 5.063 11.534 9.345 1.00 0.72 H new ATOM 0 HA ALA A 102 3.973 9.073 8.489 1.00 0.83 H new ATOM 0 HB1 ALA A 102 4.005 8.624 10.909 1.00 1.01 H new ATOM 0 HB2 ALA A 102 5.515 9.403 10.379 1.00 1.01 H new ATOM 0 HB3 ALA A 102 4.272 10.355 11.226 1.00 1.01 H new ATOM 1548 N ALA A 103 1.874 11.324 9.300 1.00 0.68 N ATOM 1549 CA ALA A 103 0.465 11.705 9.424 1.00 0.71 C ATOM 1550 C ALA A 103 -0.271 11.578 8.085 1.00 0.64 C ATOM 1551 O ALA A 103 -1.505 11.550 8.048 1.00 0.71 O ATOM 1552 CB ALA A 103 0.353 13.130 9.948 1.00 0.84 C ATOM 0 H ALA A 103 2.503 12.116 9.167 1.00 0.68 H new ATOM 0 HA ALA A 103 -0.005 11.022 10.131 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -0.698 13.404 10.037 1.00 0.84 H new ATOM 0 HB2 ALA A 103 0.829 13.196 10.926 1.00 0.84 H new ATOM 0 HB3 ALA A 103 0.848 13.812 9.257 1.00 0.84 H new ATOM 1558 N GLU A 104 0.506 11.502 6.991 1.00 0.59 N ATOM 1559 CA GLU A 104 -0.032 11.402 5.634 1.00 0.69 C ATOM 1560 C GLU A 104 -0.690 10.056 5.317 1.00 0.67 C ATOM 1561 O GLU A 104 -1.471 9.973 4.365 1.00 0.74 O ATOM 1562 CB GLU A 104 1.042 11.696 4.609 1.00 0.85 C ATOM 1563 CG GLU A 104 1.383 13.170 4.495 1.00 0.99 C ATOM 1564 CD GLU A 104 2.242 13.494 3.286 1.00 1.24 C ATOM 1565 OE1 GLU A 104 3.363 14.005 3.478 1.00 1.81 O ATOM 1566 OE2 GLU A 104 1.790 13.244 2.147 1.00 1.65 O ATOM 0 H GLU A 104 1.525 11.509 7.029 1.00 0.59 H new ATOM 0 HA GLU A 104 -0.821 12.153 5.581 1.00 0.69 H new ATOM 0 HB2 GLU A 104 1.944 11.142 4.870 1.00 0.85 H new ATOM 0 HB3 GLU A 104 0.714 11.331 3.636 1.00 0.85 H new ATOM 0 HG2 GLU A 104 0.460 13.747 4.441 1.00 0.99 H new ATOM 0 HG3 GLU A 104 1.905 13.486 5.398 1.00 0.99 H new ATOM 1573 N LEU A 105 -0.384 8.996 6.098 1.00 0.68 N ATOM 1574 CA LEU A 105 -0.993 7.676 5.863 1.00 0.80 C ATOM 1575 C LEU A 105 -2.491 7.681 6.043 1.00 0.68 C ATOM 1576 O LEU A 105 -3.202 6.794 5.558 1.00 0.69 O ATOM 1577 CB LEU A 105 -0.370 6.622 6.733 1.00 1.07 C ATOM 1578 CG LEU A 105 0.875 6.031 6.119 1.00 1.38 C ATOM 1579 CD1 LEU A 105 1.915 5.861 7.174 1.00 1.58 C ATOM 1580 CD2 LEU A 105 0.566 4.714 5.446 1.00 1.81 C ATOM 0 H LEU A 105 0.269 9.030 6.881 1.00 0.68 H new ATOM 0 HA LEU A 105 -0.793 7.435 4.819 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -0.123 7.054 7.703 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -1.095 5.828 6.913 1.00 1.07 H new ATOM 0 HG LEU A 105 1.254 6.709 5.355 1.00 1.38 H new ATOM 0 HD11 LEU A 105 2.815 5.434 6.732 1.00 1.58 H new ATOM 0 HD12 LEU A 105 2.151 6.831 7.612 1.00 1.58 H new ATOM 0 HD13 LEU A 105 1.540 5.194 7.950 1.00 1.58 H new ATOM 0 HD21 LEU A 105 1.478 4.305 5.010 1.00 1.81 H new ATOM 0 HD22 LEU A 105 0.170 4.014 6.181 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -0.173 4.871 4.660 1.00 1.81 H new ATOM 1592 N ARG A 106 -2.943 8.694 6.745 1.00 0.65 N ATOM 1593 CA ARG A 106 -4.339 8.916 7.001 1.00 0.68 C ATOM 1594 C ARG A 106 -4.962 9.637 5.789 1.00 0.66 C ATOM 1595 O ARG A 106 -6.170 9.533 5.556 1.00 0.74 O ATOM 1596 CB ARG A 106 -4.423 9.715 8.303 1.00 0.79 C ATOM 1597 CG ARG A 106 -5.643 10.619 8.472 1.00 0.97 C ATOM 1598 CD ARG A 106 -5.581 11.400 9.775 1.00 1.46 C ATOM 1599 NE ARG A 106 -6.746 12.276 9.947 1.00 1.70 N ATOM 1600 CZ ARG A 106 -6.940 13.091 10.994 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -6.053 13.163 11.986 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -8.032 13.841 11.046 1.00 2.39 N ATOM 0 H ARG A 106 -2.334 9.399 7.161 1.00 0.65 H new ATOM 0 HA ARG A 106 -4.905 7.993 7.126 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -4.401 9.012 9.136 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -3.528 10.332 8.383 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -5.702 11.313 7.633 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -6.550 10.015 8.451 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -5.524 10.704 10.612 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -4.671 11.999 9.796 1.00 1.46 H new ATOM 0 HE ARG A 106 -7.459 12.264 9.218 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -5.208 12.592 11.957 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -6.219 13.789 12.774 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -8.718 13.796 10.293 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -8.186 14.463 11.839 1.00 2.39 H new ATOM 1616 N HIS A 107 -4.116 10.367 5.023 1.00 0.67 N ATOM 1617 CA HIS A 107 -4.578 11.071 3.823 1.00 0.82 C ATOM 1618 C HIS A 107 -4.535 10.178 2.580 1.00 0.87 C ATOM 1619 O HIS A 107 -5.478 10.203 1.787 1.00 1.00 O ATOM 1620 CB HIS A 107 -3.761 12.346 3.591 1.00 0.94 C ATOM 1621 CG HIS A 107 -4.017 13.421 4.604 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -3.167 13.678 5.660 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -5.032 14.310 4.716 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -3.649 14.677 6.377 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -4.779 15.078 5.825 1.00 1.46 N ATOM 0 H HIS A 107 -3.121 10.478 5.220 1.00 0.67 H new ATOM 0 HA HIS A 107 -5.619 11.346 3.995 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -2.701 12.094 3.602 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -3.986 12.735 2.598 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -5.882 14.398 4.056 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -3.196 15.095 7.264 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -5.369 15.836 6.167 1.00 1.46 H new ATOM 1634 N VAL A 108 -3.450 9.394 2.396 1.00 0.90 N ATOM 1635 CA VAL A 108 -3.350 8.491 1.237 1.00 1.11 C ATOM 1636 C VAL A 108 -4.325 7.313 1.345 1.00 0.96 C ATOM 1637 O VAL A 108 -4.654 6.685 0.334 1.00 0.99 O ATOM 1638 CB VAL A 108 -1.915 7.966 0.920 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -1.142 9.009 0.133 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -1.125 7.547 2.152 1.00 0.86 C ATOM 0 H VAL A 108 -2.647 9.370 3.024 1.00 0.90 H new ATOM 0 HA VAL A 108 -3.628 9.124 0.394 1.00 1.11 H new ATOM 0 HB VAL A 108 -2.046 7.063 0.324 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -0.142 8.634 -0.084 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -1.662 9.218 -0.802 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -1.067 9.925 0.719 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -0.139 7.194 1.849 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -1.015 8.400 2.821 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -1.654 6.746 2.669 1.00 0.86 H new ATOM 1650 N MET A 109 -4.783 7.021 2.578 1.00 0.88 N ATOM 1651 CA MET A 109 -5.742 5.936 2.810 1.00 0.80 C ATOM 1652 C MET A 109 -7.156 6.381 2.431 1.00 0.72 C ATOM 1653 O MET A 109 -7.908 5.617 1.826 1.00 0.73 O ATOM 1654 CB MET A 109 -5.653 5.406 4.270 1.00 0.80 C ATOM 1655 CG MET A 109 -6.274 6.314 5.327 1.00 1.72 C ATOM 1656 SD MET A 109 -5.964 5.743 7.009 1.00 2.24 S ATOM 1657 CE MET A 109 -7.166 6.708 7.923 1.00 3.24 C ATOM 0 H MET A 109 -4.503 7.522 3.421 1.00 0.88 H new ATOM 0 HA MET A 109 -5.483 5.098 2.163 1.00 0.80 H new ATOM 0 HB2 MET A 109 -6.141 4.433 4.317 1.00 0.80 H new ATOM 0 HB3 MET A 109 -4.604 5.249 4.520 1.00 0.80 H new ATOM 0 HG2 MET A 109 -5.877 7.322 5.212 1.00 1.72 H new ATOM 0 HG3 MET A 109 -7.350 6.374 5.161 1.00 1.72 H new ATOM 0 HE1 MET A 109 -6.897 6.718 8.979 1.00 3.24 H new ATOM 0 HE2 MET A 109 -7.178 7.729 7.542 1.00 3.24 H new ATOM 0 HE3 MET A 109 -8.155 6.265 7.804 1.00 3.24 H new ATOM 1667 N THR A 110 -7.480 7.633 2.757 1.00 0.72 N ATOM 1668 CA THR A 110 -8.782 8.221 2.426 1.00 0.77 C ATOM 1669 C THR A 110 -8.726 8.757 0.995 1.00 0.89 C ATOM 1670 O THR A 110 -9.765 9.011 0.380 1.00 0.97 O ATOM 1671 CB THR A 110 -9.179 9.341 3.421 1.00 0.83 C ATOM 1672 OG1 THR A 110 -8.842 8.949 4.758 1.00 0.78 O ATOM 1673 CG2 THR A 110 -10.673 9.652 3.357 1.00 0.97 C ATOM 0 H THR A 110 -6.853 8.266 3.254 1.00 0.72 H new ATOM 0 HA THR A 110 -9.549 7.450 2.504 1.00 0.77 H new ATOM 0 HB THR A 110 -8.628 10.238 3.139 1.00 0.83 H new ATOM 0 HG1 THR A 110 -7.909 9.186 4.943 1.00 0.78 H new ATOM 0 HG21 THR A 110 -10.911 10.442 4.069 1.00 0.97 H new ATOM 0 HG22 THR A 110 -10.934 9.980 2.351 1.00 0.97 H new ATOM 0 HG23 THR A 110 -11.242 8.756 3.605 1.00 0.97 H new ATOM 1681 N ASN A 111 -7.490 8.945 0.480 1.00 0.96 N ATOM 1682 CA ASN A 111 -7.282 9.341 -0.916 1.00 1.14 C ATOM 1683 C ASN A 111 -7.826 8.194 -1.771 1.00 1.13 C ATOM 1684 O ASN A 111 -8.314 8.397 -2.886 1.00 1.24 O ATOM 1685 CB ASN A 111 -5.797 9.600 -1.202 1.00 1.26 C ATOM 1686 CG ASN A 111 -5.565 10.339 -2.511 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -5.532 11.569 -2.546 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -5.404 9.588 -3.594 1.00 1.85 N ATOM 0 H ASN A 111 -6.629 8.827 1.015 1.00 0.96 H new ATOM 0 HA ASN A 111 -7.798 10.274 -1.143 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -5.370 10.180 -0.383 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -5.266 8.648 -1.229 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -5.246 10.028 -4.501 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -5.439 8.571 -3.519 1.00 1.85 H new ATOM 1695 N LEU A 112 -7.717 6.977 -1.195 1.00 1.02 N ATOM 1696 CA LEU A 112 -8.282 5.768 -1.780 1.00 1.04 C ATOM 1697 C LEU A 112 -9.705 5.619 -1.218 1.00 0.95 C ATOM 1698 O LEU A 112 -10.546 4.909 -1.776 1.00 1.02 O ATOM 1699 CB LEU A 112 -7.429 4.537 -1.429 1.00 1.07 C ATOM 1700 CG LEU A 112 -5.972 4.569 -1.921 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -5.092 3.716 -1.021 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -5.876 4.083 -3.364 1.00 1.54 C ATOM 0 H LEU A 112 -7.233 6.818 -0.312 1.00 1.02 H new ATOM 0 HA LEU A 112 -8.300 5.842 -2.867 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -7.424 4.419 -0.345 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -7.913 3.653 -1.844 1.00 1.07 H new ATOM 0 HG LEU A 112 -5.622 5.601 -1.882 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -4.064 3.748 -1.381 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -5.132 4.101 -0.002 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -5.449 2.686 -1.033 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -4.836 4.114 -3.690 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -6.246 3.060 -3.429 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -6.477 4.727 -4.006 1.00 1.54 H new ATOM 1714 N GLY A 113 -9.932 6.323 -0.086 1.00 0.83 N ATOM 1715 CA GLY A 113 -11.225 6.363 0.590 1.00 0.82 C ATOM 1716 C GLY A 113 -11.449 5.245 1.580 1.00 0.76 C ATOM 1717 O GLY A 113 -12.585 4.815 1.802 1.00 0.82 O ATOM 0 H GLY A 113 -9.212 6.878 0.377 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -11.319 7.316 1.110 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -12.014 6.330 -0.161 1.00 0.82 H new ATOM 1721 N GLU A 114 -10.357 4.785 2.164 1.00 0.70 N ATOM 1722 CA GLU A 114 -10.359 3.711 3.152 1.00 0.70 C ATOM 1723 C GLU A 114 -11.073 4.120 4.429 1.00 0.73 C ATOM 1724 O GLU A 114 -10.978 5.271 4.866 1.00 0.73 O ATOM 1725 CB GLU A 114 -8.937 3.333 3.502 1.00 0.70 C ATOM 1726 CG GLU A 114 -8.263 2.444 2.468 1.00 0.79 C ATOM 1727 CD GLU A 114 -6.845 2.072 2.854 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -6.664 1.028 3.515 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -5.915 2.825 2.495 1.00 2.12 O ATOM 0 H GLU A 114 -9.426 5.151 1.964 1.00 0.70 H new ATOM 0 HA GLU A 114 -10.887 2.866 2.710 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -8.349 4.243 3.623 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -8.934 2.821 4.464 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -8.850 1.535 2.338 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -8.251 2.957 1.506 1.00 0.79 H new ATOM 1736 N LYS A 115 -11.782 3.165 5.009 1.00 0.82 N ATOM 1737 CA LYS A 115 -12.517 3.376 6.211 1.00 0.92 C ATOM 1738 C LYS A 115 -11.899 2.614 7.366 1.00 1.06 C ATOM 1739 O LYS A 115 -11.944 1.378 7.430 1.00 1.21 O ATOM 1740 CB LYS A 115 -13.950 2.972 6.012 1.00 1.04 C ATOM 1741 CG LYS A 115 -14.657 3.752 4.905 1.00 1.05 C ATOM 1742 CD LYS A 115 -15.809 2.961 4.292 1.00 1.31 C ATOM 1743 CE LYS A 115 -15.368 2.189 3.053 1.00 1.23 C ATOM 1744 NZ LYS A 115 -16.487 1.405 2.460 1.00 1.56 N ATOM 0 H LYS A 115 -11.854 2.216 4.641 1.00 0.82 H new ATOM 0 HA LYS A 115 -12.482 4.437 6.458 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -13.990 1.908 5.778 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -14.492 3.113 6.947 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -15.037 4.691 5.309 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -13.938 4.008 4.126 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -16.207 2.266 5.031 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -16.618 3.642 4.027 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -14.979 2.886 2.310 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -14.552 1.516 3.316 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -16.147 0.895 1.620 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -16.842 0.722 3.160 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -17.255 2.050 2.185 1.00 1.56 H new ATOM 1758 N LEU A 116 -11.308 3.380 8.256 1.00 1.10 N ATOM 1759 CA LEU A 116 -10.628 2.849 9.433 1.00 1.28 C ATOM 1760 C LEU A 116 -11.011 3.628 10.689 1.00 1.19 C ATOM 1761 O LEU A 116 -11.546 4.738 10.599 1.00 1.19 O ATOM 1762 CB LEU A 116 -9.110 2.885 9.212 1.00 1.54 C ATOM 1763 CG LEU A 116 -8.556 1.747 8.350 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -7.436 2.253 7.455 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -8.062 0.603 9.225 1.00 3.12 C ATOM 0 H LEU A 116 -11.281 4.397 8.189 1.00 1.10 H new ATOM 0 HA LEU A 116 -10.942 1.816 9.580 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -8.848 3.835 8.746 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -8.616 2.859 10.183 1.00 1.54 H new ATOM 0 HG LEU A 116 -9.361 1.373 7.718 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -7.054 1.431 6.850 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -7.818 3.037 6.802 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -6.631 2.654 8.071 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -7.672 -0.196 8.594 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -7.272 0.964 9.883 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -8.888 0.221 9.825 1.00 3.12 H new ATOM 1777 N THR A 117 -10.732 3.039 11.858 1.00 1.15 N ATOM 1778 CA THR A 117 -11.012 3.686 13.141 1.00 1.08 C ATOM 1779 C THR A 117 -9.776 4.471 13.599 1.00 0.99 C ATOM 1780 O THR A 117 -8.695 4.326 13.017 1.00 0.98 O ATOM 1781 CB THR A 117 -11.424 2.661 14.232 1.00 1.04 C ATOM 1782 OG1 THR A 117 -12.031 1.511 13.629 1.00 1.34 O ATOM 1783 CG2 THR A 117 -12.406 3.277 15.222 1.00 1.40 C ATOM 0 H THR A 117 -10.312 2.113 11.940 1.00 1.15 H new ATOM 0 HA THR A 117 -11.853 4.365 12.998 1.00 1.08 H new ATOM 0 HB THR A 117 -10.521 2.366 14.766 1.00 1.04 H new ATOM 0 HG1 THR A 117 -11.770 0.706 14.123 1.00 1.34 H new ATOM 0 HG21 THR A 117 -12.677 2.536 15.974 1.00 1.40 H new ATOM 0 HG22 THR A 117 -11.942 4.135 15.708 1.00 1.40 H new ATOM 0 HG23 THR A 117 -13.302 3.600 14.692 1.00 1.40 H new ATOM 1791 N ASP A 118 -9.936 5.298 14.640 1.00 1.00 N ATOM 1792 CA ASP A 118 -8.837 6.121 15.165 1.00 1.00 C ATOM 1793 C ASP A 118 -7.719 5.275 15.789 1.00 0.90 C ATOM 1794 O ASP A 118 -6.537 5.560 15.578 1.00 0.96 O ATOM 1795 CB ASP A 118 -9.367 7.124 16.196 1.00 1.07 C ATOM 1796 CG ASP A 118 -10.212 8.217 15.568 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -11.442 8.028 15.459 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -9.643 9.261 15.185 1.00 2.05 O ATOM 0 H ASP A 118 -10.819 5.416 15.137 1.00 1.00 H new ATOM 0 HA ASP A 118 -8.409 6.657 14.318 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -9.961 6.594 16.941 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -8.526 7.577 16.722 1.00 1.07 H new ATOM 1803 N GLU A 119 -8.101 4.241 16.550 1.00 0.82 N ATOM 1804 CA GLU A 119 -7.138 3.365 17.211 1.00 0.81 C ATOM 1805 C GLU A 119 -6.723 2.173 16.356 1.00 0.77 C ATOM 1806 O GLU A 119 -5.596 1.687 16.499 1.00 0.78 O ATOM 1807 CB GLU A 119 -7.676 2.883 18.562 1.00 0.89 C ATOM 1808 CG GLU A 119 -7.681 3.955 19.642 1.00 1.11 C ATOM 1809 CD GLU A 119 -8.204 3.442 20.970 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -7.390 2.943 21.775 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -9.427 3.539 21.204 1.00 2.07 O ATOM 0 H GLU A 119 -9.076 3.994 16.721 1.00 0.82 H new ATOM 0 HA GLU A 119 -6.243 3.967 17.371 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -8.692 2.513 18.426 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -7.073 2.041 18.902 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -6.668 4.335 19.777 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -8.295 4.794 19.313 1.00 1.11 H new ATOM 1818 N GLU A 120 -7.620 1.690 15.477 1.00 0.77 N ATOM 1819 CA GLU A 120 -7.315 0.568 14.603 1.00 0.80 C ATOM 1820 C GLU A 120 -6.117 0.886 13.712 1.00 0.80 C ATOM 1821 O GLU A 120 -5.230 0.044 13.544 1.00 0.81 O ATOM 1822 CB GLU A 120 -8.539 0.209 13.767 1.00 0.97 C ATOM 1823 CG GLU A 120 -9.463 -0.793 14.442 1.00 1.21 C ATOM 1824 CD GLU A 120 -10.515 -1.356 13.503 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -10.139 -2.053 12.537 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -11.716 -1.109 13.741 1.00 1.93 O ATOM 0 H GLU A 120 -8.561 2.067 15.361 1.00 0.77 H new ATOM 0 HA GLU A 120 -7.052 -0.293 15.217 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -9.099 1.118 13.549 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -8.209 -0.199 12.812 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -8.868 -1.612 14.846 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -9.957 -0.312 15.286 1.00 1.21 H new ATOM 1833 N VAL A 121 -6.093 2.106 13.146 1.00 0.84 N ATOM 1834 CA VAL A 121 -4.993 2.542 12.344 1.00 0.92 C ATOM 1835 C VAL A 121 -3.864 3.119 13.199 1.00 0.88 C ATOM 1836 O VAL A 121 -2.744 3.219 12.721 1.00 0.93 O ATOM 1837 CB VAL A 121 -5.432 3.497 11.212 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -5.143 4.941 11.524 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -4.732 3.090 9.948 1.00 2.24 C ATOM 0 H VAL A 121 -6.840 2.794 13.245 1.00 0.84 H new ATOM 0 HA VAL A 121 -4.590 1.659 11.849 1.00 0.92 H new ATOM 0 HB VAL A 121 -6.513 3.417 11.100 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -5.472 5.566 10.694 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -5.675 5.231 12.430 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -4.072 5.073 11.675 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -5.030 3.754 9.137 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -3.654 3.155 10.092 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -5.003 2.065 9.696 1.00 2.24 H new ATOM 1849 N ASP A 122 -4.163 3.496 14.459 1.00 0.86 N ATOM 1850 CA ASP A 122 -3.133 4.036 15.356 1.00 0.95 C ATOM 1851 C ASP A 122 -2.180 2.927 15.798 1.00 0.84 C ATOM 1852 O ASP A 122 -1.034 3.189 16.173 1.00 0.89 O ATOM 1853 CB ASP A 122 -3.764 4.730 16.568 1.00 1.08 C ATOM 1854 CG ASP A 122 -2.865 5.797 17.170 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -2.965 6.967 16.743 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -2.064 5.462 18.067 1.00 1.76 O ATOM 0 H ASP A 122 -5.095 3.436 14.869 1.00 0.86 H new ATOM 0 HA ASP A 122 -2.561 4.785 14.808 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -4.709 5.184 16.270 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -3.995 3.984 17.329 1.00 1.08 H new ATOM 1861 N GLU A 123 -2.683 1.692 15.746 1.00 0.75 N ATOM 1862 CA GLU A 123 -1.901 0.513 16.069 1.00 0.73 C ATOM 1863 C GLU A 123 -1.158 0.045 14.837 1.00 0.65 C ATOM 1864 O GLU A 123 0.018 -0.307 14.917 1.00 0.65 O ATOM 1865 CB GLU A 123 -2.773 -0.621 16.608 1.00 0.78 C ATOM 1866 CG GLU A 123 -3.056 -0.522 18.098 1.00 0.92 C ATOM 1867 CD GLU A 123 -3.920 -1.660 18.604 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -5.160 -1.518 18.587 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -3.355 -2.695 19.018 1.00 1.87 O ATOM 0 H GLU A 123 -3.646 1.489 15.478 1.00 0.75 H new ATOM 0 HA GLU A 123 -1.194 0.786 16.852 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -3.720 -0.627 16.068 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -2.283 -1.573 16.403 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -2.112 -0.517 18.644 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -3.551 0.426 18.308 1.00 0.92 H new ATOM 1876 N MET A 124 -1.859 0.057 13.690 1.00 0.63 N ATOM 1877 CA MET A 124 -1.257 -0.317 12.409 1.00 0.64 C ATOM 1878 C MET A 124 -0.212 0.717 12.042 1.00 0.64 C ATOM 1879 O MET A 124 0.765 0.413 11.362 1.00 0.67 O ATOM 1880 CB MET A 124 -2.304 -0.422 11.289 1.00 0.70 C ATOM 1881 CG MET A 124 -3.427 -1.412 11.564 1.00 1.18 C ATOM 1882 SD MET A 124 -4.425 -1.754 10.102 1.00 2.12 S ATOM 1883 CE MET A 124 -5.602 -2.931 10.762 1.00 2.40 C ATOM 0 H MET A 124 -2.842 0.322 13.629 1.00 0.63 H new ATOM 0 HA MET A 124 -0.801 -1.301 12.518 1.00 0.64 H new ATOM 0 HB2 MET A 124 -2.739 0.564 11.122 1.00 0.70 H new ATOM 0 HB3 MET A 124 -1.802 -0.709 10.365 1.00 0.70 H new ATOM 0 HG2 MET A 124 -3.001 -2.344 11.935 1.00 1.18 H new ATOM 0 HG3 MET A 124 -4.068 -1.018 12.353 1.00 1.18 H new ATOM 0 HE1 MET A 124 -6.290 -3.238 9.974 1.00 2.40 H new ATOM 0 HE2 MET A 124 -5.070 -3.804 11.140 1.00 2.40 H new ATOM 0 HE3 MET A 124 -6.163 -2.468 11.574 1.00 2.40 H new ATOM 1893 N ILE A 125 -0.425 1.931 12.569 1.00 0.65 N ATOM 1894 CA ILE A 125 0.461 3.050 12.374 1.00 0.70 C ATOM 1895 C ILE A 125 1.621 2.936 13.366 1.00 0.66 C ATOM 1896 O ILE A 125 2.735 3.375 13.086 1.00 0.68 O ATOM 1897 CB ILE A 125 -0.322 4.368 12.573 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -0.205 5.283 11.347 1.00 0.94 C ATOM 1899 CG2 ILE A 125 0.140 5.074 13.834 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -1.226 4.999 10.261 1.00 0.70 C ATOM 0 H ILE A 125 -1.235 2.150 13.149 1.00 0.65 H new ATOM 0 HA ILE A 125 0.865 3.049 11.361 1.00 0.70 H new ATOM 0 HB ILE A 125 -1.377 4.119 12.688 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -0.312 6.319 11.669 1.00 0.94 H new ATOM 0 HG13 ILE A 125 0.795 5.182 10.926 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -0.421 6.000 13.959 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -0.029 4.428 14.695 1.00 0.84 H new ATOM 0 HG23 ILE A 125 1.203 5.302 13.755 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -1.075 5.689 9.430 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -1.107 3.975 9.908 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -2.231 5.130 10.663 1.00 0.70 H new ATOM 1912 N ARG A 126 1.327 2.346 14.546 1.00 0.65 N ATOM 1913 CA ARG A 126 2.337 2.138 15.568 1.00 0.68 C ATOM 1914 C ARG A 126 3.149 0.907 15.260 1.00 0.64 C ATOM 1915 O ARG A 126 4.187 0.636 15.871 1.00 0.69 O ATOM 1916 CB ARG A 126 1.731 2.103 16.980 1.00 0.76 C ATOM 1917 CG ARG A 126 2.713 2.443 18.096 1.00 1.02 C ATOM 1918 CD ARG A 126 2.056 2.349 19.464 1.00 1.07 C ATOM 1919 NE ARG A 126 2.995 2.658 20.548 1.00 1.63 N ATOM 1920 CZ ARG A 126 2.707 2.574 21.855 1.00 1.79 C ATOM 1921 NH1 ARG A 126 1.501 2.189 22.271 1.00 1.36 N ATOM 1922 NH2 ARG A 126 3.636 2.879 22.750 1.00 2.58 N ATOM 0 H ARG A 126 0.397 2.012 14.799 1.00 0.65 H new ATOM 0 HA ARG A 126 3.013 2.993 15.555 1.00 0.68 H new ATOM 0 HB2 ARG A 126 0.896 2.803 17.021 1.00 0.76 H new ATOM 0 HB3 ARG A 126 1.323 1.109 17.162 1.00 0.76 H new ATOM 0 HG2 ARG A 126 3.564 1.764 18.053 1.00 1.02 H new ATOM 0 HG3 ARG A 126 3.101 3.450 17.946 1.00 1.02 H new ATOM 0 HD2 ARG A 126 1.212 3.037 19.509 1.00 1.07 H new ATOM 0 HD3 ARG A 126 1.656 1.345 19.606 1.00 1.07 H new ATOM 0 HE ARG A 126 3.935 2.958 20.289 1.00 1.63 H new ATOM 0 HH11 ARG A 126 0.779 1.952 21.591 1.00 1.36 H new ATOM 0 HH12 ARG A 126 1.300 2.131 23.269 1.00 1.36 H new ATOM 0 HH21 ARG A 126 4.562 3.175 22.443 1.00 2.58 H new ATOM 0 HH22 ARG A 126 3.424 2.818 23.746 1.00 2.58 H new ATOM 1936 N GLU A 127 2.632 0.185 14.295 1.00 0.59 N ATOM 1937 CA GLU A 127 3.259 -1.016 13.768 1.00 0.59 C ATOM 1938 C GLU A 127 4.543 -0.637 13.010 1.00 0.59 C ATOM 1939 O GLU A 127 5.275 -1.509 12.529 1.00 0.63 O ATOM 1940 CB GLU A 127 2.282 -1.761 12.858 1.00 0.61 C ATOM 1941 CG GLU A 127 1.287 -2.640 13.616 1.00 0.66 C ATOM 1942 CD GLU A 127 0.474 -3.530 12.695 1.00 1.28 C ATOM 1943 OE1 GLU A 127 1.049 -4.488 12.138 1.00 1.91 O ATOM 1944 OE2 GLU A 127 -0.737 -3.272 12.535 1.00 2.06 O ATOM 0 H GLU A 127 1.748 0.415 13.842 1.00 0.59 H new ATOM 0 HA GLU A 127 3.526 -1.680 14.590 1.00 0.59 H new ATOM 0 HB2 GLU A 127 1.731 -1.036 12.260 1.00 0.61 H new ATOM 0 HB3 GLU A 127 2.847 -2.383 12.164 1.00 0.61 H new ATOM 0 HG2 GLU A 127 1.827 -3.261 14.331 1.00 0.66 H new ATOM 0 HG3 GLU A 127 0.612 -2.006 14.191 1.00 0.66 H new ATOM 1951 N ALA A 128 4.803 0.695 12.921 1.00 0.59 N ATOM 1952 CA ALA A 128 5.988 1.225 12.225 1.00 0.64 C ATOM 1953 C ALA A 128 6.425 2.616 12.728 1.00 0.63 C ATOM 1954 O ALA A 128 6.991 3.389 11.942 1.00 0.65 O ATOM 1955 CB ALA A 128 5.734 1.301 10.718 1.00 0.72 C ATOM 0 H ALA A 128 4.203 1.414 13.325 1.00 0.59 H new ATOM 0 HA ALA A 128 6.797 0.528 12.444 1.00 0.64 H new ATOM 0 HB1 ALA A 128 6.620 1.695 10.219 1.00 0.72 H new ATOM 0 HB2 ALA A 128 5.515 0.304 10.335 1.00 0.72 H new ATOM 0 HB3 ALA A 128 4.886 1.958 10.525 1.00 0.72 H new ATOM 1961 N ALA A 129 6.183 2.958 14.021 1.00 0.67 N ATOM 1962 CA ALA A 129 6.600 4.282 14.552 1.00 0.72 C ATOM 1963 C ALA A 129 8.028 4.650 14.157 1.00 0.77 C ATOM 1964 O ALA A 129 8.988 3.955 14.512 1.00 0.86 O ATOM 1965 CB ALA A 129 6.500 4.378 16.074 1.00 0.83 C ATOM 0 H ALA A 129 5.715 2.355 14.697 1.00 0.67 H new ATOM 0 HA ALA A 129 5.897 4.982 14.099 1.00 0.72 H new ATOM 0 HB1 ALA A 129 6.819 5.369 16.398 1.00 0.83 H new ATOM 0 HB2 ALA A 129 5.468 4.210 16.382 1.00 0.83 H new ATOM 0 HB3 ALA A 129 7.142 3.624 16.529 1.00 0.83 H new ATOM 1971 N ILE A 130 8.143 5.746 13.398 1.00 0.77 N ATOM 1972 CA ILE A 130 9.438 6.293 12.970 1.00 0.87 C ATOM 1973 C ILE A 130 10.263 6.643 14.205 1.00 1.01 C ATOM 1974 O ILE A 130 9.734 6.620 15.322 1.00 1.27 O ATOM 1975 CB ILE A 130 9.274 7.533 12.006 1.00 0.91 C ATOM 1976 CG1 ILE A 130 10.617 8.173 11.584 1.00 1.07 C ATOM 1977 CG2 ILE A 130 8.352 8.611 12.591 1.00 1.28 C ATOM 1978 CD1 ILE A 130 11.386 7.379 10.545 1.00 1.57 C ATOM 0 H ILE A 130 7.341 6.280 13.063 1.00 0.77 H new ATOM 0 HA ILE A 130 9.963 5.534 12.391 1.00 0.87 H new ATOM 0 HB ILE A 130 8.811 7.120 11.110 1.00 0.91 H new ATOM 0 HG12 ILE A 130 10.423 9.171 11.192 1.00 1.07 H new ATOM 0 HG13 ILE A 130 11.243 8.294 12.468 1.00 1.07 H new ATOM 0 HG21 ILE A 130 8.273 9.442 11.890 1.00 1.28 H new ATOM 0 HG22 ILE A 130 7.363 8.188 12.766 1.00 1.28 H new ATOM 0 HG23 ILE A 130 8.765 8.970 13.534 1.00 1.28 H new ATOM 0 HD11 ILE A 130 12.315 7.897 10.305 1.00 1.57 H new ATOM 0 HD12 ILE A 130 11.614 6.389 10.939 1.00 1.57 H new ATOM 0 HD13 ILE A 130 10.782 7.280 9.643 1.00 1.57 H new ATOM 1990 N ASP A 131 11.558 6.889 13.995 1.00 1.22 N ATOM 1991 CA ASP A 131 12.510 7.262 15.081 1.00 1.45 C ATOM 1992 C ASP A 131 11.794 7.962 16.255 1.00 1.44 C ATOM 1993 O ASP A 131 12.219 7.881 17.411 1.00 1.64 O ATOM 1994 CB ASP A 131 13.600 8.178 14.518 1.00 1.64 C ATOM 1995 CG ASP A 131 14.892 8.124 15.316 1.00 2.27 C ATOM 1996 OD1 ASP A 131 15.760 7.288 14.985 1.00 2.70 O ATOM 1997 OD2 ASP A 131 15.034 8.916 16.271 1.00 2.90 O ATOM 0 H ASP A 131 11.991 6.839 13.073 1.00 1.22 H new ATOM 0 HA ASP A 131 12.957 6.345 15.464 1.00 1.45 H new ATOM 0 HB2 ASP A 131 13.805 7.897 13.485 1.00 1.64 H new ATOM 0 HB3 ASP A 131 13.232 9.204 14.502 1.00 1.64 H new ATOM 2002 N GLY A 132 10.707 8.640 15.898 1.00 1.31 N ATOM 2003 CA GLY A 132 9.847 9.327 16.839 1.00 1.35 C ATOM 2004 C GLY A 132 9.689 10.809 16.501 1.00 1.46 C ATOM 2005 O GLY A 132 9.279 11.602 17.354 1.00 1.75 O ATOM 0 H GLY A 132 10.399 8.725 14.929 1.00 1.31 H new ATOM 0 HA2 GLY A 132 8.866 8.851 16.847 1.00 1.35 H new ATOM 0 HA3 GLY A 132 10.258 9.227 17.844 1.00 1.35 H new ATOM 2009 N ASP A 133 10.021 11.175 15.245 1.00 1.34 N ATOM 2010 CA ASP A 133 9.939 12.568 14.765 1.00 1.49 C ATOM 2011 C ASP A 133 8.539 12.908 14.241 1.00 1.37 C ATOM 2012 O ASP A 133 8.042 14.016 14.465 1.00 1.69 O ATOM 2013 CB ASP A 133 10.978 12.815 13.666 1.00 1.52 C ATOM 2014 CG ASP A 133 12.401 12.812 14.195 1.00 1.94 C ATOM 2015 OD1 ASP A 133 12.894 13.893 14.579 1.00 2.14 O ATOM 2016 OD2 ASP A 133 13.021 11.728 14.225 1.00 2.60 O ATOM 0 H ASP A 133 10.351 10.516 14.540 1.00 1.34 H new ATOM 0 HA ASP A 133 10.147 13.218 15.615 1.00 1.49 H new ATOM 0 HB2 ASP A 133 10.878 12.048 12.898 1.00 1.52 H new ATOM 0 HB3 ASP A 133 10.774 13.773 13.188 1.00 1.52 H new ATOM 2021 N GLY A 134 7.919 11.947 13.547 1.00 1.04 N ATOM 2022 CA GLY A 134 6.573 12.132 13.020 1.00 1.15 C ATOM 2023 C GLY A 134 6.478 12.322 11.509 1.00 1.03 C ATOM 2024 O GLY A 134 5.369 12.275 10.975 1.00 1.25 O ATOM 0 H GLY A 134 8.331 11.037 13.340 1.00 1.04 H new ATOM 0 HA2 GLY A 134 5.971 11.267 13.298 1.00 1.15 H new ATOM 0 HA3 GLY A 134 6.128 13.000 13.506 1.00 1.15 H new ATOM 2028 N GLN A 135 7.596 12.583 10.813 1.00 0.84 N ATOM 2029 CA GLN A 135 7.551 12.703 9.346 1.00 0.77 C ATOM 2030 C GLN A 135 8.553 11.757 8.687 1.00 0.74 C ATOM 2031 O GLN A 135 9.553 11.393 9.316 1.00 0.80 O ATOM 2032 CB GLN A 135 7.705 14.163 8.855 1.00 0.80 C ATOM 2033 CG GLN A 135 9.060 14.812 9.140 1.00 1.03 C ATOM 2034 CD GLN A 135 9.035 16.316 8.952 1.00 1.40 C ATOM 2035 OE1 GLN A 135 8.751 17.066 9.886 1.00 2.05 O ATOM 2036 NE2 GLN A 135 9.335 16.766 7.739 1.00 1.98 N ATOM 0 H GLN A 135 8.519 12.712 11.228 1.00 0.84 H new ATOM 0 HA GLN A 135 6.554 12.396 9.032 1.00 0.77 H new ATOM 0 HB2 GLN A 135 7.529 14.187 7.780 1.00 0.80 H new ATOM 0 HB3 GLN A 135 6.927 14.768 9.319 1.00 0.80 H new ATOM 0 HG2 GLN A 135 9.362 14.582 10.162 1.00 1.03 H new ATOM 0 HG3 GLN A 135 9.812 14.379 8.481 1.00 1.03 H new ATOM 0 HE21 GLN A 135 9.565 16.109 6.994 1.00 1.98 H new ATOM 0 HE22 GLN A 135 9.336 17.769 7.553 1.00 1.98 H new ATOM 2045 N VAL A 136 8.301 11.355 7.422 1.00 0.69 N ATOM 2046 CA VAL A 136 9.237 10.410 6.757 1.00 0.68 C ATOM 2047 C VAL A 136 9.580 10.807 5.321 1.00 0.64 C ATOM 2048 O VAL A 136 8.712 11.185 4.537 1.00 0.67 O ATOM 2049 CB VAL A 136 8.740 8.925 6.753 1.00 0.75 C ATOM 2050 CG1 VAL A 136 9.890 7.976 6.426 1.00 0.91 C ATOM 2051 CG2 VAL A 136 8.141 8.513 8.087 1.00 0.88 C ATOM 0 H VAL A 136 7.501 11.649 6.861 1.00 0.69 H new ATOM 0 HA VAL A 136 10.135 10.476 7.372 1.00 0.68 H new ATOM 0 HB VAL A 136 7.965 8.862 5.989 1.00 0.75 H new ATOM 0 HG11 VAL A 136 9.526 6.949 6.428 1.00 0.91 H new ATOM 0 HG12 VAL A 136 10.292 8.217 5.442 1.00 0.91 H new ATOM 0 HG13 VAL A 136 10.675 8.084 7.175 1.00 0.91 H new ATOM 0 HG21 VAL A 136 7.811 7.475 8.033 1.00 0.88 H new ATOM 0 HG22 VAL A 136 8.892 8.615 8.870 1.00 0.88 H new ATOM 0 HG23 VAL A 136 7.289 9.153 8.316 1.00 0.88 H new ATOM 2061 N ASN A 137 10.875 10.691 5.004 1.00 0.63 N ATOM 2062 CA ASN A 137 11.399 10.988 3.676 1.00 0.62 C ATOM 2063 C ASN A 137 11.806 9.686 2.957 1.00 0.59 C ATOM 2064 O ASN A 137 11.456 8.586 3.397 1.00 0.59 O ATOM 2065 CB ASN A 137 12.594 11.950 3.800 1.00 0.66 C ATOM 2066 CG ASN A 137 12.881 12.732 2.528 1.00 0.80 C ATOM 2067 OD1 ASN A 137 12.170 13.672 2.191 1.00 1.18 O ATOM 2068 ND2 ASN A 137 13.938 12.346 1.822 1.00 1.45 N ATOM 0 H ASN A 137 11.587 10.387 5.668 1.00 0.63 H new ATOM 0 HA ASN A 137 10.624 11.469 3.079 1.00 0.62 H new ATOM 0 HB2 ASN A 137 12.402 12.651 4.612 1.00 0.66 H new ATOM 0 HB3 ASN A 137 13.482 11.380 4.074 1.00 0.66 H new ATOM 0 HD21 ASN A 137 14.185 12.838 0.963 1.00 1.45 H new ATOM 0 HD22 ASN A 137 14.503 11.558 2.139 1.00 1.45 H new ATOM 2075 N TYR A 138 12.547 9.834 1.846 1.00 0.62 N ATOM 2076 CA TYR A 138 13.046 8.718 1.028 1.00 0.66 C ATOM 2077 C TYR A 138 14.009 7.804 1.812 1.00 0.61 C ATOM 2078 O TYR A 138 14.246 6.665 1.410 1.00 0.67 O ATOM 2079 CB TYR A 138 13.698 9.300 -0.243 1.00 0.75 C ATOM 2080 CG TYR A 138 14.355 8.299 -1.182 1.00 1.21 C ATOM 2081 CD1 TYR A 138 15.683 7.923 -1.011 1.00 1.93 C ATOM 2082 CD2 TYR A 138 13.652 7.749 -2.246 1.00 2.03 C ATOM 2083 CE1 TYR A 138 16.289 7.026 -1.870 1.00 2.59 C ATOM 2084 CE2 TYR A 138 14.251 6.850 -3.108 1.00 2.76 C ATOM 2085 CZ TYR A 138 15.568 6.492 -2.916 1.00 2.81 C ATOM 2086 OH TYR A 138 16.167 5.599 -3.775 1.00 3.66 O ATOM 0 H TYR A 138 12.820 10.748 1.486 1.00 0.62 H new ATOM 0 HA TYR A 138 12.211 8.077 0.744 1.00 0.66 H new ATOM 0 HB2 TYR A 138 12.935 9.843 -0.801 1.00 0.75 H new ATOM 0 HB3 TYR A 138 14.450 10.029 0.061 1.00 0.75 H new ATOM 0 HD1 TYR A 138 16.251 8.340 -0.192 1.00 1.93 H new ATOM 0 HD2 TYR A 138 12.621 8.028 -2.402 1.00 2.03 H new ATOM 0 HE1 TYR A 138 17.321 6.745 -1.722 1.00 2.59 H new ATOM 0 HE2 TYR A 138 13.689 6.430 -3.929 1.00 2.76 H new ATOM 0 HH TYR A 138 15.521 5.317 -4.456 1.00 3.66 H new ATOM 2096 N GLU A 139 14.563 8.319 2.919 1.00 0.57 N ATOM 2097 CA GLU A 139 15.510 7.567 3.754 1.00 0.60 C ATOM 2098 C GLU A 139 14.866 6.360 4.468 1.00 0.54 C ATOM 2099 O GLU A 139 15.294 5.223 4.247 1.00 0.57 O ATOM 2100 CB GLU A 139 16.170 8.501 4.784 1.00 0.68 C ATOM 2101 CG GLU A 139 17.190 9.469 4.191 1.00 0.89 C ATOM 2102 CD GLU A 139 18.541 8.825 3.934 1.00 1.36 C ATOM 2103 OE1 GLU A 139 18.742 8.290 2.823 1.00 2.24 O ATOM 2104 OE2 GLU A 139 19.397 8.856 4.843 1.00 1.61 O ATOM 0 H GLU A 139 14.369 9.261 3.259 1.00 0.57 H new ATOM 0 HA GLU A 139 16.267 7.165 3.080 1.00 0.60 H new ATOM 0 HB2 GLU A 139 15.392 9.075 5.288 1.00 0.68 H new ATOM 0 HB3 GLU A 139 16.662 7.894 5.545 1.00 0.68 H new ATOM 0 HG2 GLU A 139 16.801 9.869 3.255 1.00 0.89 H new ATOM 0 HG3 GLU A 139 17.319 10.312 4.869 1.00 0.89 H new ATOM 2111 N GLU A 140 13.846 6.602 5.316 1.00 0.51 N ATOM 2112 CA GLU A 140 13.194 5.524 6.067 1.00 0.52 C ATOM 2113 C GLU A 140 12.000 4.905 5.341 1.00 0.47 C ATOM 2114 O GLU A 140 11.757 3.701 5.472 1.00 0.49 O ATOM 2115 CB GLU A 140 12.766 6.047 7.440 1.00 0.59 C ATOM 2116 CG GLU A 140 13.847 5.943 8.512 1.00 1.02 C ATOM 2117 CD GLU A 140 14.891 7.043 8.413 1.00 1.31 C ATOM 2118 OE1 GLU A 140 14.693 8.108 9.035 1.00 1.91 O ATOM 2119 OE2 GLU A 140 15.906 6.837 7.714 1.00 2.02 O ATOM 0 H GLU A 140 13.462 7.530 5.493 1.00 0.51 H new ATOM 0 HA GLU A 140 13.927 4.725 6.174 1.00 0.52 H new ATOM 0 HB2 GLU A 140 12.466 7.090 7.342 1.00 0.59 H new ATOM 0 HB3 GLU A 140 11.888 5.493 7.770 1.00 0.59 H new ATOM 0 HG2 GLU A 140 13.380 5.981 9.496 1.00 1.02 H new ATOM 0 HG3 GLU A 140 14.340 4.974 8.430 1.00 1.02 H new ATOM 2126 N PHE A 141 11.258 5.719 4.578 1.00 0.45 N ATOM 2127 CA PHE A 141 10.072 5.240 3.849 1.00 0.43 C ATOM 2128 C PHE A 141 10.434 4.282 2.704 1.00 0.41 C ATOM 2129 O PHE A 141 9.572 3.546 2.216 1.00 0.44 O ATOM 2130 CB PHE A 141 9.269 6.425 3.311 1.00 0.45 C ATOM 2131 CG PHE A 141 7.775 6.225 3.318 1.00 0.69 C ATOM 2132 CD1 PHE A 141 7.070 6.192 2.127 1.00 1.33 C ATOM 2133 CD2 PHE A 141 7.072 6.085 4.511 1.00 1.55 C ATOM 2134 CE1 PHE A 141 5.701 6.025 2.120 1.00 1.59 C ATOM 2135 CE2 PHE A 141 5.704 5.916 4.508 1.00 1.88 C ATOM 2136 CZ PHE A 141 5.019 5.888 3.312 1.00 1.54 C ATOM 0 H PHE A 141 11.456 6.711 4.449 1.00 0.45 H new ATOM 0 HA PHE A 141 9.464 4.678 4.558 1.00 0.43 H new ATOM 0 HB2 PHE A 141 9.507 7.308 3.904 1.00 0.45 H new ATOM 0 HB3 PHE A 141 9.590 6.631 2.290 1.00 0.45 H new ATOM 0 HD1 PHE A 141 7.599 6.298 1.191 1.00 1.33 H new ATOM 0 HD2 PHE A 141 7.605 6.109 5.450 1.00 1.55 H new ATOM 0 HE1 PHE A 141 5.164 6.001 1.183 1.00 1.59 H new ATOM 0 HE2 PHE A 141 5.170 5.806 5.440 1.00 1.88 H new ATOM 0 HZ PHE A 141 3.947 5.759 3.308 1.00 1.54 H new ATOM 2146 N VAL A 142 11.711 4.298 2.286 1.00 0.42 N ATOM 2147 CA VAL A 142 12.198 3.411 1.221 1.00 0.44 C ATOM 2148 C VAL A 142 12.545 2.042 1.777 1.00 0.46 C ATOM 2149 O VAL A 142 12.332 1.038 1.107 1.00 0.48 O ATOM 2150 CB VAL A 142 13.431 4.002 0.490 1.00 0.48 C ATOM 2151 CG1 VAL A 142 14.480 2.938 0.155 1.00 0.53 C ATOM 2152 CG2 VAL A 142 13.013 4.746 -0.774 1.00 0.50 C ATOM 0 H VAL A 142 12.424 4.917 2.671 1.00 0.42 H new ATOM 0 HA VAL A 142 11.389 3.314 0.497 1.00 0.44 H new ATOM 0 HB VAL A 142 13.892 4.708 1.181 1.00 0.48 H new ATOM 0 HG11 VAL A 142 15.322 3.405 -0.356 1.00 0.53 H new ATOM 0 HG12 VAL A 142 14.829 2.469 1.075 1.00 0.53 H new ATOM 0 HG13 VAL A 142 14.037 2.182 -0.493 1.00 0.53 H new ATOM 0 HG21 VAL A 142 13.897 5.150 -1.267 1.00 0.50 H new ATOM 0 HG22 VAL A 142 12.503 4.059 -1.449 1.00 0.50 H new ATOM 0 HG23 VAL A 142 12.340 5.562 -0.510 1.00 0.50 H new ATOM 2162 N GLN A 143 13.112 2.016 2.990 1.00 0.49 N ATOM 2163 CA GLN A 143 13.485 0.764 3.642 1.00 0.54 C ATOM 2164 C GLN A 143 12.267 -0.145 3.801 1.00 0.52 C ATOM 2165 O GLN A 143 12.384 -1.373 3.740 1.00 0.57 O ATOM 2166 CB GLN A 143 14.131 1.063 4.990 1.00 0.59 C ATOM 2167 CG GLN A 143 15.151 0.025 5.440 1.00 0.64 C ATOM 2168 CD GLN A 143 15.772 0.362 6.781 1.00 0.89 C ATOM 2169 OE1 GLN A 143 16.795 1.044 6.851 1.00 1.62 O ATOM 2170 NE2 GLN A 143 15.155 -0.115 7.855 1.00 1.55 N ATOM 0 H GLN A 143 13.321 2.852 3.537 1.00 0.49 H new ATOM 0 HA GLN A 143 14.208 0.237 3.019 1.00 0.54 H new ATOM 0 HB2 GLN A 143 14.619 2.036 4.938 1.00 0.59 H new ATOM 0 HB3 GLN A 143 13.349 1.139 5.746 1.00 0.59 H new ATOM 0 HG2 GLN A 143 14.668 -0.950 5.502 1.00 0.64 H new ATOM 0 HG3 GLN A 143 15.937 -0.056 4.689 1.00 0.64 H new ATOM 0 HE21 GLN A 143 14.310 -0.676 7.750 1.00 1.55 H new ATOM 0 HE22 GLN A 143 15.526 0.079 8.785 1.00 1.55 H new ATOM 2179 N MET A 144 11.099 0.482 4.006 1.00 0.49 N ATOM 2180 CA MET A 144 9.832 -0.227 4.084 1.00 0.49 C ATOM 2181 C MET A 144 9.485 -0.747 2.681 1.00 0.51 C ATOM 2182 O MET A 144 8.748 -1.725 2.529 1.00 0.58 O ATOM 2183 CB MET A 144 8.727 0.709 4.633 1.00 0.52 C ATOM 2184 CG MET A 144 7.286 0.267 4.352 1.00 0.93 C ATOM 2185 SD MET A 144 6.979 -1.457 4.790 1.00 2.33 S ATOM 2186 CE MET A 144 5.793 -1.914 3.532 1.00 3.20 C ATOM 0 H MET A 144 11.016 1.492 4.121 1.00 0.49 H new ATOM 0 HA MET A 144 9.908 -1.071 4.770 1.00 0.49 H new ATOM 0 HB2 MET A 144 8.856 0.801 5.711 1.00 0.52 H new ATOM 0 HB3 MET A 144 8.873 1.702 4.209 1.00 0.52 H new ATOM 0 HG2 MET A 144 6.601 0.905 4.910 1.00 0.93 H new ATOM 0 HG3 MET A 144 7.067 0.412 3.294 1.00 0.93 H new ATOM 0 HE1 MET A 144 5.583 -2.981 3.600 1.00 3.20 H new ATOM 0 HE2 MET A 144 4.870 -1.353 3.681 1.00 3.20 H new ATOM 0 HE3 MET A 144 6.201 -1.687 2.547 1.00 3.20 H new ATOM 2196 N MET A 145 10.046 -0.067 1.668 1.00 0.49 N ATOM 2197 CA MET A 145 9.832 -0.425 0.270 1.00 0.56 C ATOM 2198 C MET A 145 10.892 -1.421 -0.230 1.00 0.62 C ATOM 2199 O MET A 145 10.610 -2.214 -1.133 1.00 0.75 O ATOM 2200 CB MET A 145 9.841 0.831 -0.613 1.00 0.58 C ATOM 2201 CG MET A 145 8.796 1.875 -0.244 1.00 1.52 C ATOM 2202 SD MET A 145 8.830 3.301 -1.344 1.00 2.50 S ATOM 2203 CE MET A 145 7.501 4.276 -0.652 1.00 3.22 C ATOM 0 H MET A 145 10.656 0.740 1.801 1.00 0.49 H new ATOM 0 HA MET A 145 8.857 -0.907 0.203 1.00 0.56 H new ATOM 0 HB2 MET A 145 10.828 1.290 -0.559 1.00 0.58 H new ATOM 0 HB3 MET A 145 9.685 0.531 -1.649 1.00 0.58 H new ATOM 0 HG2 MET A 145 7.806 1.420 -0.274 1.00 1.52 H new ATOM 0 HG3 MET A 145 8.964 2.206 0.781 1.00 1.52 H new ATOM 0 HE1 MET A 145 7.712 5.335 -0.799 1.00 3.22 H new ATOM 0 HE2 MET A 145 6.565 4.020 -1.149 1.00 3.22 H new ATOM 0 HE3 MET A 145 7.414 4.068 0.414 1.00 3.22 H new ATOM 2213 N THR A 146 12.112 -1.382 0.356 1.00 0.59 N ATOM 2214 CA THR A 146 13.194 -2.273 -0.045 1.00 0.68 C ATOM 2215 C THR A 146 13.156 -3.610 0.701 1.00 0.78 C ATOM 2216 O THR A 146 13.630 -4.627 0.185 1.00 0.89 O ATOM 2217 CB THR A 146 14.576 -1.630 0.185 1.00 0.69 C ATOM 2218 OG1 THR A 146 14.474 -0.490 1.048 1.00 0.63 O ATOM 2219 CG2 THR A 146 15.217 -1.216 -1.134 1.00 0.71 C ATOM 0 H THR A 146 12.358 -0.738 1.107 1.00 0.59 H new ATOM 0 HA THR A 146 13.043 -2.454 -1.109 1.00 0.68 H new ATOM 0 HB THR A 146 15.207 -2.380 0.661 1.00 0.69 H new ATOM 0 HG1 THR A 146 13.825 0.144 0.677 1.00 0.63 H new ATOM 0 HG21 THR A 146 16.190 -0.766 -0.940 1.00 0.71 H new ATOM 0 HG22 THR A 146 15.343 -2.093 -1.768 1.00 0.71 H new ATOM 0 HG23 THR A 146 14.577 -0.492 -1.638 1.00 0.71 H new ATOM 2227 N ALA A 147 12.591 -3.594 1.914 1.00 0.77 N ATOM 2228 CA ALA A 147 12.472 -4.785 2.743 1.00 0.88 C ATOM 2229 C ALA A 147 11.194 -5.562 2.434 1.00 0.94 C ATOM 2230 O ALA A 147 10.157 -4.967 2.126 1.00 0.91 O ATOM 2231 CB ALA A 147 12.519 -4.408 4.216 1.00 0.90 C ATOM 0 H ALA A 147 12.206 -2.752 2.342 1.00 0.77 H new ATOM 0 HA ALA A 147 13.317 -5.435 2.514 1.00 0.88 H new ATOM 0 HB1 ALA A 147 12.429 -5.308 4.825 1.00 0.90 H new ATOM 0 HB2 ALA A 147 13.466 -3.915 4.435 1.00 0.90 H new ATOM 0 HB3 ALA A 147 11.696 -3.731 4.445 1.00 0.90 H new ATOM 2237 N LYS A 148 11.284 -6.893 2.522 1.00 1.08 N ATOM 2238 CA LYS A 148 10.142 -7.774 2.254 1.00 1.19 C ATOM 2239 C LYS A 148 9.478 -8.222 3.557 1.00 1.63 C ATOM 2240 O LYS A 148 8.295 -7.877 3.763 1.00 2.21 O ATOM 2241 CB LYS A 148 10.542 -9.005 1.401 1.00 1.53 C ATOM 2242 CG LYS A 148 11.917 -9.603 1.707 1.00 2.17 C ATOM 2243 CD LYS A 148 13.007 -8.891 0.923 1.00 2.29 C ATOM 2244 CE LYS A 148 14.394 -9.277 1.411 1.00 3.11 C ATOM 2245 NZ LYS A 148 15.466 -8.584 0.643 1.00 3.56 N ATOM 2246 OXT LYS A 148 10.147 -8.903 4.365 1.00 2.14 O ATOM 0 H LYS A 148 12.140 -7.386 2.778 1.00 1.08 H new ATOM 0 HA LYS A 148 9.423 -7.193 1.676 1.00 1.19 H new ATOM 0 HB2 LYS A 148 9.789 -9.781 1.540 1.00 1.53 H new ATOM 0 HB3 LYS A 148 10.516 -8.720 0.349 1.00 1.53 H new ATOM 0 HG2 LYS A 148 12.122 -9.525 2.775 1.00 2.17 H new ATOM 0 HG3 LYS A 148 11.919 -10.664 1.459 1.00 2.17 H new ATOM 0 HD2 LYS A 148 12.913 -9.135 -0.135 1.00 2.29 H new ATOM 0 HD3 LYS A 148 12.876 -7.813 1.015 1.00 2.29 H new ATOM 0 HE2 LYS A 148 14.488 -9.031 2.469 1.00 3.11 H new ATOM 0 HE3 LYS A 148 14.523 -10.356 1.322 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 16.396 -8.874 1.006 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 15.392 -8.838 -0.363 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 15.359 -7.555 0.748 1.00 3.56 H new ATOM 2490 N LYS B 516 3.991 0.371 8.202 1.00 0.00 N ATOM 2491 CA LYS B 516 4.774 -0.345 7.190 1.00 0.00 C ATOM 2492 C LYS B 516 3.995 -1.426 6.392 1.00 0.00 C ATOM 2493 O LYS B 516 4.482 -2.552 6.222 1.00 0.00 O ATOM 2494 CB LYS B 516 6.037 -0.934 7.859 1.00 0.00 C ATOM 2495 CG LYS B 516 5.773 -2.001 8.921 1.00 0.00 C ATOM 2496 CD LYS B 516 7.057 -2.438 9.606 1.00 0.00 C ATOM 2497 CE LYS B 516 6.791 -3.494 10.665 1.00 0.00 C ATOM 2498 NZ LYS B 516 8.043 -3.929 11.343 1.00 0.00 N ATOM 0 HA LYS B 516 5.046 0.388 6.431 1.00 0.00 H new ATOM 0 HB2 LYS B 516 6.672 -1.364 7.084 1.00 0.00 H new ATOM 0 HB3 LYS B 516 6.600 -0.120 8.316 1.00 0.00 H new ATOM 0 HG2 LYS B 516 5.078 -1.611 9.664 1.00 0.00 H new ATOM 0 HG3 LYS B 516 5.294 -2.864 8.459 1.00 0.00 H new ATOM 0 HD2 LYS B 516 7.751 -2.832 8.864 1.00 0.00 H new ATOM 0 HD3 LYS B 516 7.538 -1.574 10.065 1.00 0.00 H new ATOM 0 HE2 LYS B 516 6.096 -3.098 11.406 1.00 0.00 H new ATOM 0 HE3 LYS B 516 6.309 -4.356 10.204 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 7.818 -4.650 12.058 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 8.697 -4.330 10.641 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 8.490 -3.111 11.804 1.00 0.00 H new ATOM 2512 N VAL B 517 2.797 -1.085 5.897 1.00 0.00 N ATOM 2513 CA VAL B 517 1.993 -2.019 5.071 1.00 0.00 C ATOM 2514 C VAL B 517 1.178 -1.237 4.042 1.00 0.00 C ATOM 2515 O VAL B 517 1.072 -1.627 2.876 1.00 0.00 O ATOM 2516 CB VAL B 517 1.026 -2.947 5.880 1.00 0.00 C ATOM 2517 CG1 VAL B 517 0.551 -4.095 5.002 1.00 0.00 C ATOM 2518 CG2 VAL B 517 1.666 -3.517 7.146 1.00 0.00 C ATOM 0 H VAL B 517 2.359 -0.177 6.049 1.00 0.00 H new ATOM 0 HA VAL B 517 2.721 -2.675 4.593 1.00 0.00 H new ATOM 0 HB VAL B 517 0.185 -2.326 6.189 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -0.121 -4.736 5.573 1.00 0.00 H new ATOM 0 HG12 VAL B 517 0.024 -3.696 4.135 1.00 0.00 H new ATOM 0 HG13 VAL B 517 1.410 -4.677 4.668 1.00 0.00 H new ATOM 0 HG21 VAL B 517 0.947 -4.152 7.663 1.00 0.00 H new ATOM 0 HG22 VAL B 517 2.542 -4.107 6.877 1.00 0.00 H new ATOM 0 HG23 VAL B 517 1.966 -2.700 7.802 1.00 0.00 H new ATOM 2528 N LEU B 518 0.600 -0.143 4.521 1.00 0.00 N ATOM 2529 CA LEU B 518 -0.208 0.797 3.759 1.00 0.00 C ATOM 2530 C LEU B 518 0.564 1.481 2.621 1.00 0.00 C ATOM 2531 O LEU B 518 0.099 2.465 2.033 1.00 0.00 O ATOM 2532 CB LEU B 518 -0.713 1.841 4.753 1.00 0.00 C ATOM 2533 CG LEU B 518 -2.195 2.204 4.648 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -3.035 0.939 4.583 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -2.641 3.058 5.825 1.00 0.00 C ATOM 0 H LEU B 518 0.687 0.125 5.501 1.00 0.00 H new ATOM 0 HA LEU B 518 -1.021 0.257 3.274 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -0.519 1.477 5.762 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -0.126 2.751 4.624 1.00 0.00 H new ATOM 0 HG LEU B 518 -2.335 2.784 3.736 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -4.089 1.206 4.508 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -2.746 0.355 3.709 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -2.873 0.348 5.485 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -3.699 3.299 5.720 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -2.484 2.509 6.753 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -2.060 3.980 5.847 1.00 0.00 H new ATOM 2547 N VAL B 519 1.732 0.934 2.327 1.00 0.00 N ATOM 2548 CA VAL B 519 2.604 1.436 1.276 1.00 0.00 C ATOM 2549 C VAL B 519 2.910 0.299 0.325 1.00 0.00 C ATOM 2550 O VAL B 519 2.969 0.494 -0.892 1.00 0.00 O ATOM 2551 CB VAL B 519 3.914 2.038 1.849 1.00 0.00 C ATOM 2552 CG1 VAL B 519 4.641 2.884 0.805 1.00 0.00 C ATOM 2553 CG2 VAL B 519 3.639 2.876 3.093 1.00 0.00 C ATOM 0 H VAL B 519 2.106 0.121 2.816 1.00 0.00 H new ATOM 0 HA VAL B 519 2.095 2.242 0.748 1.00 0.00 H new ATOM 0 HB VAL B 519 4.556 1.202 2.126 1.00 0.00 H new ATOM 0 HG11 VAL B 519 5.554 3.291 1.239 1.00 0.00 H new ATOM 0 HG12 VAL B 519 4.893 2.263 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL B 519 3.995 3.702 0.486 1.00 0.00 H new ATOM 0 HG21 VAL B 519 4.576 3.284 3.471 1.00 0.00 H new ATOM 0 HG22 VAL B 519 2.963 3.693 2.839 1.00 0.00 H new ATOM 0 HG23 VAL B 519 3.180 2.251 3.859 1.00 0.00 H new ATOM 2563 N LYS B 520 3.106 -0.895 0.898 1.00 0.00 N ATOM 2564 CA LYS B 520 3.342 -2.090 0.121 1.00 0.00 C ATOM 2565 C LYS B 520 2.094 -2.476 -0.661 1.00 0.00 C ATOM 2566 O LYS B 520 2.168 -3.174 -1.676 1.00 0.00 O ATOM 2567 CB LYS B 520 3.767 -3.222 1.032 1.00 0.00 C ATOM 2568 CG LYS B 520 5.085 -3.853 0.610 1.00 0.00 C ATOM 2569 CD LYS B 520 5.081 -4.321 -0.856 1.00 0.00 C ATOM 2570 CE LYS B 520 6.467 -4.752 -1.316 1.00 0.00 C ATOM 2571 NZ LYS B 520 7.388 -3.594 -1.501 1.00 0.00 N ATOM 0 H LYS B 520 3.103 -1.046 1.907 1.00 0.00 H new ATOM 0 HA LYS B 520 4.142 -1.892 -0.592 1.00 0.00 H new ATOM 0 HB2 LYS B 520 3.858 -2.847 2.052 1.00 0.00 H new ATOM 0 HB3 LYS B 520 2.990 -3.986 1.042 1.00 0.00 H new ATOM 0 HG2 LYS B 520 5.890 -3.132 0.754 1.00 0.00 H new ATOM 0 HG3 LYS B 520 5.299 -4.703 1.257 1.00 0.00 H new ATOM 0 HD2 LYS B 520 4.385 -5.152 -0.970 1.00 0.00 H new ATOM 0 HD3 LYS B 520 4.721 -3.514 -1.494 1.00 0.00 H new ATOM 0 HE2 LYS B 520 6.893 -5.439 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS B 520 6.382 -5.299 -2.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 8.364 -3.939 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 7.120 -3.071 -2.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 7.323 -2.964 -0.676 1.00 0.00 H new ATOM 2585 N ALA B 521 0.948 -2.002 -0.157 1.00 0.00 N ATOM 2586 CA ALA B 521 -0.336 -2.200 -0.803 1.00 0.00 C ATOM 2587 C ALA B 521 -0.571 -1.039 -1.776 1.00 0.00 C ATOM 2588 O ALA B 521 -1.699 -0.719 -2.170 1.00 0.00 O ATOM 2589 CB ALA B 521 -1.424 -2.287 0.245 1.00 0.00 C ATOM 0 H ALA B 521 0.895 -1.471 0.712 1.00 0.00 H new ATOM 0 HA ALA B 521 -0.350 -3.134 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -2.388 -2.436 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -1.221 -3.125 0.911 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -1.448 -1.363 0.822 1.00 0.00 H new ATOM 2595 N VAL B 522 0.562 -0.448 -2.160 1.00 0.00 N ATOM 2596 CA VAL B 522 0.640 0.695 -3.050 1.00 0.00 C ATOM 2597 C VAL B 522 1.831 0.532 -4.005 1.00 0.00 C ATOM 2598 O VAL B 522 1.807 1.080 -5.111 1.00 0.00 O ATOM 2599 CB VAL B 522 0.768 2.072 -2.322 1.00 0.00 C ATOM 2600 CG1 VAL B 522 0.242 3.192 -3.212 1.00 0.00 C ATOM 2601 CG2 VAL B 522 0.036 2.097 -0.983 1.00 0.00 C ATOM 0 H VAL B 522 1.478 -0.769 -1.845 1.00 0.00 H new ATOM 0 HA VAL B 522 -0.307 0.710 -3.589 1.00 0.00 H new ATOM 0 HB VAL B 522 1.828 2.224 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL B 522 0.337 4.145 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL B 522 0.819 3.224 -4.136 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -0.807 3.009 -3.445 1.00 0.00 H new ATOM 0 HG21 VAL B 522 0.157 3.076 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -1.024 1.901 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL B 522 0.451 1.332 -0.327 1.00 0.00 H new ATOM 2611 N LEU B 523 2.880 -0.223 -3.579 1.00 0.00 N ATOM 2612 CA LEU B 523 4.050 -0.454 -4.426 1.00 0.00 C ATOM 2613 C LEU B 523 3.730 -1.514 -5.474 1.00 0.00 C ATOM 2614 O LEU B 523 4.520 -1.766 -6.386 1.00 0.00 O ATOM 2615 CB LEU B 523 5.252 -0.900 -3.590 1.00 0.00 C ATOM 2616 CG LEU B 523 5.766 0.138 -2.588 1.00 0.00 C ATOM 2617 CD1 LEU B 523 6.471 -0.536 -1.420 1.00 0.00 C ATOM 2618 CD2 LEU B 523 6.702 1.135 -3.256 1.00 0.00 C ATOM 0 H LEU B 523 2.926 -0.671 -2.664 1.00 0.00 H new ATOM 0 HA LEU B 523 4.304 0.483 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU B 523 4.981 -1.805 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU B 523 6.066 -1.165 -4.265 1.00 0.00 H new ATOM 0 HG LEU B 523 4.900 0.681 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU B 523 6.827 0.223 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU B 523 5.774 -1.200 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU B 523 7.318 -1.114 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU B 523 7.050 1.858 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU B 523 7.557 0.606 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU B 523 6.170 1.656 -4.052 1.00 0.00 H new ATOM 2630 N PHE B 524 2.547 -2.129 -5.322 1.00 0.00 N ATOM 2631 CA PHE B 524 2.077 -3.159 -6.234 1.00 0.00 C ATOM 2632 C PHE B 524 1.651 -2.558 -7.589 1.00 0.00 C ATOM 2633 O PHE B 524 1.837 -3.182 -8.638 1.00 0.00 O ATOM 2634 CB PHE B 524 0.924 -3.938 -5.559 1.00 0.00 C ATOM 2635 CG PHE B 524 -0.280 -4.179 -6.427 1.00 0.00 C ATOM 2636 CD1 PHE B 524 -0.395 -5.340 -7.167 1.00 0.00 C ATOM 2637 CD2 PHE B 524 -1.284 -3.233 -6.504 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -1.495 -5.558 -7.972 1.00 0.00 C ATOM 2639 CE2 PHE B 524 -2.388 -3.441 -7.308 1.00 0.00 C ATOM 2640 CZ PHE B 524 -2.494 -4.607 -8.042 1.00 0.00 C ATOM 0 H PHE B 524 1.898 -1.920 -4.563 1.00 0.00 H new ATOM 0 HA PHE B 524 2.891 -3.852 -6.450 1.00 0.00 H new ATOM 0 HB2 PHE B 524 1.307 -4.901 -5.221 1.00 0.00 H new ATOM 0 HB3 PHE B 524 0.608 -3.391 -4.671 1.00 0.00 H new ATOM 0 HD1 PHE B 524 0.385 -6.086 -7.115 1.00 0.00 H new ATOM 0 HD2 PHE B 524 -1.205 -2.322 -5.930 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -1.574 -6.470 -8.545 1.00 0.00 H new ATOM 0 HE2 PHE B 524 -3.166 -2.694 -7.363 1.00 0.00 H new ATOM 0 HZ PHE B 524 -3.357 -4.774 -8.670 1.00 0.00 H new ATOM 2650 N ALA B 525 1.082 -1.347 -7.538 1.00 0.00 N ATOM 2651 CA ALA B 525 0.593 -0.658 -8.733 1.00 0.00 C ATOM 2652 C ALA B 525 1.647 0.250 -9.387 1.00 0.00 C ATOM 2653 O ALA B 525 1.398 0.805 -10.463 1.00 0.00 O ATOM 2654 CB ALA B 525 -0.653 0.147 -8.385 1.00 0.00 C ATOM 0 H ALA B 525 0.950 -0.823 -6.673 1.00 0.00 H new ATOM 0 HA ALA B 525 0.353 -1.427 -9.468 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -1.016 0.659 -9.276 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -1.427 -0.524 -8.012 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -0.409 0.882 -7.618 1.00 0.00 H new ATOM 2660 N CYS B 526 2.823 0.395 -8.750 1.00 0.00 N ATOM 2661 CA CYS B 526 3.900 1.245 -9.292 1.00 0.00 C ATOM 2662 C CYS B 526 4.686 0.547 -10.425 1.00 0.00 C ATOM 2663 O CYS B 526 5.707 1.068 -10.891 1.00 0.00 O ATOM 2664 CB CYS B 526 4.858 1.668 -8.165 1.00 0.00 C ATOM 2665 SG CYS B 526 5.924 0.342 -7.546 1.00 0.00 S ATOM 0 H CYS B 526 3.051 -0.061 -7.867 1.00 0.00 H new ATOM 0 HA CYS B 526 3.429 2.129 -9.723 1.00 0.00 H new ATOM 0 HB2 CYS B 526 5.486 2.483 -8.526 1.00 0.00 H new ATOM 0 HB3 CYS B 526 4.271 2.062 -7.335 1.00 0.00 H new ATOM 0 HG CYS B 526 5.189 -0.624 -7.080 1.00 0.00 H new ATOM 2671 N MET B 527 4.193 -0.618 -10.873 1.00 0.00 N ATOM 2672 CA MET B 527 4.854 -1.387 -11.930 1.00 0.00 C ATOM 2673 C MET B 527 3.884 -1.779 -13.062 1.00 0.00 C ATOM 2674 O MET B 527 4.334 -2.218 -14.126 1.00 0.00 O ATOM 2675 CB MET B 527 5.509 -2.638 -11.317 1.00 0.00 C ATOM 2676 CG MET B 527 6.472 -3.379 -12.247 1.00 0.00 C ATOM 2677 SD MET B 527 7.531 -4.567 -11.388 1.00 0.00 S ATOM 2678 CE MET B 527 6.339 -5.750 -10.752 1.00 0.00 C ATOM 0 H MET B 527 3.338 -1.045 -10.517 1.00 0.00 H new ATOM 0 HA MET B 527 5.619 -0.754 -12.380 1.00 0.00 H new ATOM 0 HB2 MET B 527 6.049 -2.344 -10.417 1.00 0.00 H new ATOM 0 HB3 MET B 527 4.724 -3.327 -11.007 1.00 0.00 H new ATOM 0 HG2 MET B 527 5.897 -3.902 -13.011 1.00 0.00 H new ATOM 0 HG3 MET B 527 7.099 -2.652 -12.763 1.00 0.00 H new ATOM 0 HE1 MET B 527 6.801 -6.735 -10.691 1.00 0.00 H new ATOM 0 HE2 MET B 527 6.013 -5.440 -9.759 1.00 0.00 H new ATOM 0 HE3 MET B 527 5.478 -5.794 -11.419 1.00 0.00 H new ATOM 2688 N LEU B 528 2.563 -1.624 -12.839 1.00 0.00 N ATOM 2689 CA LEU B 528 1.546 -1.972 -13.852 1.00 0.00 C ATOM 2690 C LEU B 528 1.726 -1.188 -15.160 1.00 0.00 C ATOM 2691 O LEU B 528 1.550 -1.741 -16.250 1.00 0.00 O ATOM 2692 CB LEU B 528 0.131 -1.740 -13.316 1.00 0.00 C ATOM 2693 CG LEU B 528 -0.188 -2.463 -12.012 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -1.360 -1.798 -11.307 1.00 0.00 C ATOM 2695 CD2 LEU B 528 -0.484 -3.936 -12.244 1.00 0.00 C ATOM 0 H LEU B 528 2.176 -1.261 -11.968 1.00 0.00 H new ATOM 0 HA LEU B 528 1.686 -3.031 -14.069 1.00 0.00 H new ATOM 0 HB2 LEU B 528 -0.014 -0.670 -13.166 1.00 0.00 H new ATOM 0 HB3 LEU B 528 -0.585 -2.056 -14.074 1.00 0.00 H new ATOM 0 HG LEU B 528 0.695 -2.396 -11.376 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -1.574 -2.327 -10.378 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -1.110 -0.761 -11.084 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -2.238 -1.829 -11.952 1.00 0.00 H new ATOM 0 HD21 LEU B 528 -0.707 -4.417 -11.291 1.00 0.00 H new ATOM 0 HD22 LEU B 528 -1.342 -4.034 -12.909 1.00 0.00 H new ATOM 0 HD23 LEU B 528 0.384 -4.414 -12.698 1.00 0.00 H new ATOM 2707 N MET B 529 2.078 0.098 -15.031 1.00 0.00 N ATOM 2708 CA MET B 529 2.288 0.976 -16.188 1.00 0.00 C ATOM 2709 C MET B 529 3.770 1.036 -16.582 1.00 0.00 C ATOM 2710 O MET B 529 4.102 0.917 -17.765 1.00 0.00 O ATOM 2711 CB MET B 529 1.733 2.394 -15.921 1.00 0.00 C ATOM 2712 CG MET B 529 2.206 3.042 -14.621 1.00 0.00 C ATOM 2713 SD MET B 529 1.576 4.718 -14.406 1.00 0.00 S ATOM 2714 CE MET B 529 2.292 5.148 -12.822 1.00 0.00 C ATOM 0 H MET B 529 2.224 0.555 -14.131 1.00 0.00 H new ATOM 0 HA MET B 529 1.736 0.550 -17.026 1.00 0.00 H new ATOM 0 HB2 MET B 529 2.013 3.040 -16.753 1.00 0.00 H new ATOM 0 HB3 MET B 529 0.644 2.345 -15.909 1.00 0.00 H new ATOM 0 HG2 MET B 529 1.888 2.428 -13.778 1.00 0.00 H new ATOM 0 HG3 MET B 529 3.296 3.064 -14.607 1.00 0.00 H new ATOM 0 HE1 MET B 529 1.993 6.160 -12.550 1.00 0.00 H new ATOM 0 HE2 MET B 529 1.941 4.450 -12.062 1.00 0.00 H new ATOM 0 HE3 MET B 529 3.379 5.096 -12.888 1.00 0.00 H new ATOM 2724 N ARG B 530 4.650 1.203 -15.566 1.00 0.00 N ATOM 2725 CA ARG B 530 6.122 1.290 -15.729 1.00 0.00 C ATOM 2726 C ARG B 530 6.560 2.062 -16.998 1.00 0.00 C ATOM 2727 O ARG B 530 7.364 1.573 -17.803 1.00 0.00 O ATOM 2728 CB ARG B 530 6.764 -0.118 -15.648 1.00 0.00 C ATOM 2729 CG ARG B 530 6.299 -1.121 -16.712 1.00 0.00 C ATOM 2730 CD ARG B 530 7.273 -2.283 -16.871 1.00 0.00 C ATOM 2731 NE ARG B 530 7.238 -3.208 -15.730 1.00 0.00 N ATOM 2732 CZ ARG B 530 7.945 -4.346 -15.649 1.00 0.00 C ATOM 2733 NH1 ARG B 530 8.756 -4.724 -16.636 1.00 0.00 N ATOM 2734 NH2 ARG B 530 7.838 -5.110 -14.571 1.00 0.00 N ATOM 0 H ARG B 530 4.352 1.282 -14.594 1.00 0.00 H new ATOM 0 HA ARG B 530 6.496 1.884 -14.895 1.00 0.00 H new ATOM 0 HB2 ARG B 530 7.846 -0.009 -15.725 1.00 0.00 H new ATOM 0 HB3 ARG B 530 6.555 -0.537 -14.664 1.00 0.00 H new ATOM 0 HG2 ARG B 530 5.316 -1.507 -16.441 1.00 0.00 H new ATOM 0 HG3 ARG B 530 6.187 -0.609 -17.668 1.00 0.00 H new ATOM 0 HD2 ARG B 530 7.036 -2.829 -17.784 1.00 0.00 H new ATOM 0 HD3 ARG B 530 8.284 -1.892 -16.987 1.00 0.00 H new ATOM 0 HE ARG B 530 6.634 -2.968 -14.944 1.00 0.00 H new ATOM 0 HH11 ARG B 530 8.847 -4.145 -17.471 1.00 0.00 H new ATOM 0 HH12 ARG B 530 9.286 -5.592 -16.557 1.00 0.00 H new ATOM 0 HH21 ARG B 530 7.221 -4.832 -13.808 1.00 0.00 H new ATOM 0 HH22 ARG B 530 8.373 -5.976 -14.504 1.00 0.00 H new