USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 767 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 69 LYS NZ :NH3+ 170:sc= -2.07 (180deg=-2.99) USER MOD Set 1.2: A 76 THR OG1 : rot -148:sc= -2.91! USER MOD Set 2.1: A 3 LYS NZ :NH3+ 148:sc= -0.281 (180deg=-1.36) USER MOD Set 2.2: A 85 ASN : amide:sc= -7.53! C(o=-7.8!,f=-4.1!) USER MOD Single : A 1 MET CE :methyl 135:sc= -0.445 (180deg=-2.73!) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.0826 (180deg=-0.403) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -157:sc= -0.144 (180deg=-0.713) USER MOD Single : A 9 GLN : amide:sc= -0.817 X(o=-0.82,f=-0.4) USER MOD Single : A 10 THR OG1 : rot 180:sc= -2.47! USER MOD Single : A 13 MET CE :methyl -162:sc= -0.0399 (180deg=-0.452) USER MOD Single : A 15 THR OG1 : rot 135:sc= -0.532 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 24 HIS : no HE2:sc= 1.04 K(o=1,f=-3.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -140:sc= -0.692 USER MOD Single : A 36 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.009) USER MOD Single : A 37 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.14) USER MOD Single : A 39 ASN : amide:sc= -4.89! K(o=-4.9!,f=-1.8) USER MOD Single : A 40 SER OG : rot 86:sc= 0.00389 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0.653 K(o=0.65,f=-1.5!) USER MOD Single : A 55 THR OG1 : rot -73:sc= -0.475 USER MOD Single : A 62 GLN : amide:sc= -5.3! C(o=-5.3!,f=-8.5!) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -0.0597 (180deg=-0.382) USER MOD Single : A 67 LYS NZ :NH3+ -144:sc= 1.55 (180deg=1.09) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -57:sc= 1.29 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -2.35! K(o=-2.4!,f=-0.086) USER MOD Single : A 87 CYS SG : rot 110:sc= -1.03 USER MOD Single : A 90 MET CE :methyl 171:sc=-0.00551 (180deg=-0.268) USER MOD Single : A 95 LYS NZ :NH3+ -171:sc= 1.05 (180deg=0.959) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.061 12.536 -10.412 1.00 4.19 N ATOM 2 CA MET A 1 3.337 13.417 -9.256 1.00 3.57 C ATOM 3 C MET A 1 4.568 12.943 -8.487 1.00 2.58 C ATOM 4 O MET A 1 4.627 13.035 -7.260 1.00 2.86 O ATOM 5 CB MET A 1 2.111 13.509 -8.335 1.00 4.32 C ATOM 6 CG MET A 1 1.589 12.171 -7.838 1.00 5.05 C ATOM 7 SD MET A 1 0.112 12.360 -6.820 1.00 6.03 S ATOM 8 CE MET A 1 -0.290 10.654 -6.451 1.00 6.63 C ATOM 0 H1 MET A 1 2.099 12.715 -10.763 1.00 4.19 H new ATOM 0 H2 MET A 1 3.748 12.731 -11.168 1.00 4.19 H new ATOM 0 H3 MET A 1 3.142 11.542 -10.118 1.00 4.19 H new ATOM 0 HA MET A 1 3.548 14.417 -9.636 1.00 3.57 H new ATOM 0 HB2 MET A 1 2.366 14.127 -7.474 1.00 4.32 H new ATOM 0 HB3 MET A 1 1.310 14.021 -8.869 1.00 4.32 H new ATOM 0 HG2 MET A 1 1.363 11.531 -8.690 1.00 5.05 H new ATOM 0 HG3 MET A 1 2.366 11.670 -7.261 1.00 5.05 H new ATOM 0 HE1 MET A 1 -0.531 10.558 -5.392 1.00 6.63 H new ATOM 0 HE2 MET A 1 -1.148 10.345 -7.048 1.00 6.63 H new ATOM 0 HE3 MET A 1 0.564 10.020 -6.688 1.00 6.63 H new ATOM 20 N ALA A 2 5.537 12.413 -9.240 1.00 2.10 N ATOM 21 CA ALA A 2 6.854 12.045 -8.725 1.00 1.89 C ATOM 22 C ALA A 2 6.802 11.011 -7.601 1.00 1.69 C ATOM 23 O ALA A 2 6.847 11.358 -6.419 1.00 2.38 O ATOM 24 CB ALA A 2 7.611 13.284 -8.266 1.00 2.89 C ATOM 0 H ALA A 2 5.425 12.226 -10.236 1.00 2.10 H new ATOM 0 HA ALA A 2 7.384 11.575 -9.553 1.00 1.89 H new ATOM 0 HB1 ALA A 2 8.590 12.992 -7.885 1.00 2.89 H new ATOM 0 HB2 ALA A 2 7.737 13.966 -9.107 1.00 2.89 H new ATOM 0 HB3 ALA A 2 7.048 13.782 -7.476 1.00 2.89 H new ATOM 30 N LYS A 3 6.726 9.739 -7.968 1.00 1.22 N ATOM 31 CA LYS A 3 6.919 8.672 -7.001 1.00 0.97 C ATOM 32 C LYS A 3 7.511 7.444 -7.657 1.00 1.06 C ATOM 33 O LYS A 3 6.856 6.753 -8.435 1.00 1.96 O ATOM 34 CB LYS A 3 5.642 8.267 -6.276 1.00 0.75 C ATOM 35 CG LYS A 3 5.954 7.532 -4.978 1.00 0.46 C ATOM 36 CD LYS A 3 4.821 6.620 -4.535 1.00 0.42 C ATOM 37 CE LYS A 3 4.718 6.564 -3.017 1.00 0.29 C ATOM 38 NZ LYS A 3 4.526 7.909 -2.398 1.00 0.44 N ATOM 0 H LYS A 3 6.534 9.425 -8.919 1.00 1.22 H new ATOM 0 HA LYS A 3 7.608 9.080 -6.261 1.00 0.97 H new ATOM 0 HB2 LYS A 3 5.046 9.154 -6.060 1.00 0.75 H new ATOM 0 HB3 LYS A 3 5.040 7.628 -6.923 1.00 0.75 H new ATOM 0 HG2 LYS A 3 6.861 6.941 -5.108 1.00 0.46 H new ATOM 0 HG3 LYS A 3 6.158 8.260 -4.193 1.00 0.46 H new ATOM 0 HD2 LYS A 3 3.880 6.977 -4.953 1.00 0.42 H new ATOM 0 HD3 LYS A 3 4.984 5.616 -4.928 1.00 0.42 H new ATOM 0 HE2 LYS A 3 3.885 5.919 -2.738 1.00 0.29 H new ATOM 0 HE3 LYS A 3 5.623 6.109 -2.613 1.00 0.29 H new ATOM 0 HZ1 LYS A 3 3.950 7.816 -1.537 1.00 0.44 H new ATOM 0 HZ2 LYS A 3 5.452 8.314 -2.153 1.00 0.44 H new ATOM 0 HZ3 LYS A 3 4.042 8.535 -3.072 1.00 0.44 H new ATOM 52 N THR A 4 8.752 7.184 -7.307 1.00 0.55 N ATOM 53 CA THR A 4 9.493 6.027 -7.779 1.00 0.59 C ATOM 54 C THR A 4 10.919 6.117 -7.241 1.00 0.59 C ATOM 55 O THR A 4 11.378 5.242 -6.503 1.00 0.84 O ATOM 56 CB THR A 4 9.493 5.896 -9.330 1.00 0.79 C ATOM 57 OG1 THR A 4 10.380 4.845 -9.733 1.00 1.37 O ATOM 58 CG2 THR A 4 9.895 7.195 -10.026 1.00 1.30 C ATOM 0 H THR A 4 9.287 7.780 -6.675 1.00 0.55 H new ATOM 0 HA THR A 4 8.999 5.129 -7.407 1.00 0.59 H new ATOM 0 HB THR A 4 8.472 5.663 -9.631 1.00 0.79 H new ATOM 0 HG1 THR A 4 10.373 4.768 -10.710 1.00 1.37 H new ATOM 0 HG21 THR A 4 9.879 7.049 -11.106 1.00 1.30 H new ATOM 0 HG22 THR A 4 9.194 7.985 -9.756 1.00 1.30 H new ATOM 0 HG23 THR A 4 10.900 7.479 -9.713 1.00 1.30 H new ATOM 66 N GLU A 5 11.588 7.217 -7.566 1.00 0.65 N ATOM 67 CA GLU A 5 12.907 7.506 -7.037 1.00 0.77 C ATOM 68 C GLU A 5 12.778 8.128 -5.655 1.00 0.71 C ATOM 69 O GLU A 5 12.634 9.341 -5.522 1.00 1.25 O ATOM 70 CB GLU A 5 13.662 8.452 -7.970 1.00 1.05 C ATOM 71 CG GLU A 5 15.059 8.801 -7.483 1.00 1.70 C ATOM 72 CD GLU A 5 15.767 9.777 -8.394 1.00 2.55 C ATOM 73 OE1 GLU A 5 15.594 11.000 -8.209 1.00 3.43 O ATOM 74 OE2 GLU A 5 16.494 9.325 -9.308 1.00 2.70 O ATOM 0 H GLU A 5 11.229 7.929 -8.202 1.00 0.65 H new ATOM 0 HA GLU A 5 13.469 6.575 -6.962 1.00 0.77 H new ATOM 0 HB2 GLU A 5 13.734 7.995 -8.957 1.00 1.05 H new ATOM 0 HB3 GLU A 5 13.087 9.371 -8.086 1.00 1.05 H new ATOM 0 HG2 GLU A 5 14.995 9.226 -6.481 1.00 1.70 H new ATOM 0 HG3 GLU A 5 15.650 7.889 -7.405 1.00 1.70 H new ATOM 81 N GLU A 6 12.785 7.281 -4.644 1.00 0.58 N ATOM 82 CA GLU A 6 12.715 7.719 -3.258 1.00 0.45 C ATOM 83 C GLU A 6 13.211 6.617 -2.347 1.00 0.38 C ATOM 84 O GLU A 6 14.409 6.480 -2.102 1.00 0.44 O ATOM 85 CB GLU A 6 11.281 8.078 -2.848 1.00 0.45 C ATOM 86 CG GLU A 6 10.945 9.557 -2.907 1.00 0.66 C ATOM 87 CD GLU A 6 11.850 10.400 -2.028 1.00 1.75 C ATOM 88 OE1 GLU A 6 12.912 10.845 -2.513 1.00 2.17 O ATOM 89 OE2 GLU A 6 11.502 10.618 -0.848 1.00 2.53 O ATOM 0 H GLU A 6 12.839 6.269 -4.757 1.00 0.58 H new ATOM 0 HA GLU A 6 13.340 8.607 -3.165 1.00 0.45 H new ATOM 0 HB2 GLU A 6 10.589 7.538 -3.494 1.00 0.45 H new ATOM 0 HB3 GLU A 6 11.111 7.723 -1.832 1.00 0.45 H new ATOM 0 HG2 GLU A 6 11.023 9.902 -3.938 1.00 0.66 H new ATOM 0 HG3 GLU A 6 9.909 9.702 -2.600 1.00 0.66 H new ATOM 96 N MET A 7 12.263 5.800 -1.901 1.00 0.32 N ATOM 97 CA MET A 7 12.520 4.769 -0.918 1.00 0.29 C ATOM 98 C MET A 7 13.176 5.354 0.316 1.00 0.34 C ATOM 99 O MET A 7 14.204 4.863 0.768 1.00 0.70 O ATOM 100 CB MET A 7 13.349 3.631 -1.512 1.00 0.35 C ATOM 101 CG MET A 7 12.480 2.561 -2.143 1.00 0.30 C ATOM 102 SD MET A 7 13.393 1.446 -3.224 1.00 0.45 S ATOM 103 CE MET A 7 13.883 2.563 -4.539 1.00 1.60 C ATOM 0 H MET A 7 11.294 5.839 -2.216 1.00 0.32 H new ATOM 0 HA MET A 7 11.563 4.345 -0.614 1.00 0.29 H new ATOM 0 HB2 MET A 7 14.030 4.033 -2.262 1.00 0.35 H new ATOM 0 HB3 MET A 7 13.963 3.184 -0.730 1.00 0.35 H new ATOM 0 HG2 MET A 7 12.001 1.980 -1.355 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.685 3.039 -2.714 1.00 0.30 H new ATOM 0 HE1 MET A 7 14.081 1.992 -5.446 1.00 1.60 H new ATOM 0 HE2 MET A 7 13.081 3.277 -4.728 1.00 1.60 H new ATOM 0 HE3 MET A 7 14.785 3.100 -4.244 1.00 1.60 H new ATOM 113 N VAL A 8 12.579 6.445 0.810 1.00 0.31 N ATOM 114 CA VAL A 8 12.956 7.056 2.086 1.00 0.30 C ATOM 115 C VAL A 8 11.880 8.035 2.568 1.00 0.31 C ATOM 116 O VAL A 8 12.155 9.214 2.784 1.00 0.46 O ATOM 117 CB VAL A 8 14.312 7.813 2.035 1.00 0.39 C ATOM 118 CG1 VAL A 8 15.478 6.896 2.377 1.00 1.50 C ATOM 119 CG2 VAL A 8 14.524 8.465 0.676 1.00 1.12 C ATOM 0 H VAL A 8 11.818 6.929 0.333 1.00 0.31 H new ATOM 0 HA VAL A 8 13.058 6.222 2.780 1.00 0.30 H new ATOM 0 HB VAL A 8 14.273 8.598 2.790 1.00 0.39 H new ATOM 0 HG11 VAL A 8 16.410 7.460 2.331 1.00 1.50 H new ATOM 0 HG12 VAL A 8 15.344 6.497 3.382 1.00 1.50 H new ATOM 0 HG13 VAL A 8 15.516 6.074 1.662 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.480 8.988 0.668 1.00 1.12 H new ATOM 0 HG22 VAL A 8 14.523 7.699 -0.099 1.00 1.12 H new ATOM 0 HG23 VAL A 8 13.720 9.176 0.484 1.00 1.12 H new ATOM 129 N GLN A 9 10.654 7.545 2.760 1.00 0.23 N ATOM 130 CA GLN A 9 9.604 8.378 3.323 1.00 0.24 C ATOM 131 C GLN A 9 9.266 7.967 4.761 1.00 0.26 C ATOM 132 O GLN A 9 9.553 8.708 5.699 1.00 0.38 O ATOM 133 CB GLN A 9 8.361 8.351 2.438 1.00 0.26 C ATOM 134 CG GLN A 9 8.448 9.285 1.243 1.00 0.31 C ATOM 135 CD GLN A 9 8.563 10.739 1.657 1.00 1.15 C ATOM 136 OE1 GLN A 9 7.558 11.426 1.847 1.00 1.97 O ATOM 137 NE2 GLN A 9 9.788 11.219 1.792 1.00 1.86 N ATOM 0 H GLN A 9 10.372 6.591 2.536 1.00 0.23 H new ATOM 0 HA GLN A 9 9.977 9.402 3.358 1.00 0.24 H new ATOM 0 HB2 GLN A 9 8.200 7.333 2.083 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.492 8.621 3.038 1.00 0.26 H new ATOM 0 HG2 GLN A 9 9.310 9.013 0.634 1.00 0.31 H new ATOM 0 HG3 GLN A 9 7.564 9.156 0.619 1.00 0.31 H new ATOM 0 HE21 GLN A 9 10.593 10.616 1.625 1.00 1.86 H new ATOM 0 HE22 GLN A 9 9.927 12.192 2.063 1.00 1.86 H new ATOM 146 N THR A 10 8.684 6.784 4.942 1.00 0.21 N ATOM 147 CA THR A 10 8.249 6.352 6.271 1.00 0.21 C ATOM 148 C THR A 10 9.030 5.130 6.756 1.00 0.21 C ATOM 149 O THR A 10 8.853 4.017 6.256 1.00 0.21 O ATOM 150 CB THR A 10 6.739 6.047 6.282 1.00 0.23 C ATOM 151 OG1 THR A 10 6.024 7.140 5.687 1.00 0.26 O ATOM 152 CG2 THR A 10 6.233 5.825 7.700 1.00 0.28 C ATOM 0 H THR A 10 8.503 6.113 4.195 1.00 0.21 H new ATOM 0 HA THR A 10 8.451 7.176 6.956 1.00 0.21 H new ATOM 0 HB THR A 10 6.571 5.134 5.710 1.00 0.23 H new ATOM 0 HG1 THR A 10 5.064 6.945 5.693 1.00 0.26 H new ATOM 0 HG21 THR A 10 5.164 5.612 7.676 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.761 4.983 8.147 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.411 6.721 8.294 1.00 0.28 H new ATOM 160 N GLU A 11 9.907 5.368 7.719 1.00 0.25 N ATOM 161 CA GLU A 11 10.804 4.347 8.252 1.00 0.28 C ATOM 162 C GLU A 11 10.103 3.383 9.213 1.00 0.25 C ATOM 163 O GLU A 11 9.130 3.735 9.884 1.00 0.40 O ATOM 164 CB GLU A 11 11.962 5.038 8.969 1.00 0.45 C ATOM 165 CG GLU A 11 13.185 4.169 9.174 1.00 0.47 C ATOM 166 CD GLU A 11 14.341 4.959 9.743 1.00 0.70 C ATOM 167 OE1 GLU A 11 14.675 6.020 9.175 1.00 1.50 O ATOM 168 OE2 GLU A 11 14.902 4.540 10.776 1.00 1.15 O ATOM 0 H GLU A 11 10.019 6.282 8.158 1.00 0.25 H new ATOM 0 HA GLU A 11 11.163 3.749 7.414 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.251 5.920 8.398 1.00 0.45 H new ATOM 0 HB3 GLU A 11 11.614 5.387 9.941 1.00 0.45 H new ATOM 0 HG2 GLU A 11 12.939 3.347 9.847 1.00 0.47 H new ATOM 0 HG3 GLU A 11 13.480 3.725 8.223 1.00 0.47 H new ATOM 175 N GLU A 12 10.625 2.164 9.255 1.00 0.31 N ATOM 176 CA GLU A 12 10.178 1.120 10.170 1.00 0.31 C ATOM 177 C GLU A 12 11.366 0.176 10.385 1.00 0.33 C ATOM 178 O GLU A 12 12.483 0.518 9.995 1.00 0.50 O ATOM 179 CB GLU A 12 8.966 0.375 9.584 1.00 0.38 C ATOM 180 CG GLU A 12 7.893 -0.002 10.601 1.00 0.56 C ATOM 181 CD GLU A 12 8.353 -1.054 11.585 1.00 0.89 C ATOM 182 OE1 GLU A 12 8.692 -2.171 11.143 1.00 1.37 O ATOM 183 OE2 GLU A 12 8.429 -0.753 12.791 1.00 1.56 O ATOM 0 H GLU A 12 11.385 1.867 8.643 1.00 0.31 H new ATOM 0 HA GLU A 12 9.856 1.542 11.122 1.00 0.31 H new ATOM 0 HB2 GLU A 12 8.513 0.998 8.813 1.00 0.38 H new ATOM 0 HB3 GLU A 12 9.318 -0.533 9.094 1.00 0.38 H new ATOM 0 HG2 GLU A 12 7.589 0.891 11.148 1.00 0.56 H new ATOM 0 HG3 GLU A 12 7.012 -0.367 10.073 1.00 0.56 H new ATOM 190 N MET A 13 11.159 -0.997 10.965 1.00 0.38 N ATOM 191 CA MET A 13 12.275 -1.882 11.279 1.00 0.46 C ATOM 192 C MET A 13 12.848 -2.546 10.030 1.00 0.40 C ATOM 193 O MET A 13 14.065 -2.668 9.892 1.00 0.49 O ATOM 194 CB MET A 13 11.850 -2.950 12.279 1.00 0.61 C ATOM 195 CG MET A 13 11.467 -2.394 13.640 1.00 0.92 C ATOM 196 SD MET A 13 10.911 -3.676 14.779 1.00 1.76 S ATOM 197 CE MET A 13 9.363 -4.156 14.012 1.00 2.64 C ATOM 0 H MET A 13 10.241 -1.357 11.226 1.00 0.38 H new ATOM 0 HA MET A 13 13.057 -1.263 11.720 1.00 0.46 H new ATOM 0 HB2 MET A 13 11.003 -3.502 11.870 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.665 -3.663 12.404 1.00 0.61 H new ATOM 0 HG2 MET A 13 12.324 -1.876 14.071 1.00 0.92 H new ATOM 0 HG3 MET A 13 10.676 -1.654 13.517 1.00 0.92 H new ATOM 0 HE1 MET A 13 8.749 -4.692 14.736 1.00 2.64 H new ATOM 0 HE2 MET A 13 8.832 -3.265 13.675 1.00 2.64 H new ATOM 0 HE3 MET A 13 9.565 -4.803 13.158 1.00 2.64 H new ATOM 207 N GLU A 14 11.986 -2.974 9.113 1.00 0.30 N ATOM 208 CA GLU A 14 12.474 -3.569 7.875 1.00 0.28 C ATOM 209 C GLU A 14 12.270 -2.645 6.682 1.00 0.31 C ATOM 210 O GLU A 14 12.910 -2.819 5.660 1.00 0.61 O ATOM 211 CB GLU A 14 11.791 -4.910 7.603 1.00 0.33 C ATOM 212 CG GLU A 14 12.367 -5.664 6.406 1.00 0.45 C ATOM 213 CD GLU A 14 13.788 -6.128 6.638 1.00 0.86 C ATOM 214 OE1 GLU A 14 14.703 -5.283 6.568 1.00 1.19 O ATOM 215 OE2 GLU A 14 13.999 -7.329 6.896 1.00 1.33 O ATOM 0 H GLU A 14 10.971 -2.922 9.199 1.00 0.30 H new ATOM 0 HA GLU A 14 13.544 -3.730 8.006 1.00 0.28 H new ATOM 0 HB2 GLU A 14 11.876 -5.537 8.491 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.728 -4.738 7.435 1.00 0.33 H new ATOM 0 HG2 GLU A 14 11.738 -6.527 6.189 1.00 0.45 H new ATOM 0 HG3 GLU A 14 12.338 -5.019 5.528 1.00 0.45 H new ATOM 222 N THR A 15 11.401 -1.655 6.807 1.00 0.20 N ATOM 223 CA THR A 15 11.086 -0.801 5.668 1.00 0.18 C ATOM 224 C THR A 15 12.216 0.179 5.422 1.00 0.21 C ATOM 225 O THR A 15 12.843 0.671 6.365 1.00 0.30 O ATOM 226 CB THR A 15 9.772 -0.017 5.856 1.00 0.23 C ATOM 227 OG1 THR A 15 9.945 1.016 6.826 1.00 1.04 O ATOM 228 CG2 THR A 15 8.655 -0.942 6.294 1.00 0.90 C ATOM 0 H THR A 15 10.907 -1.423 7.669 1.00 0.20 H new ATOM 0 HA THR A 15 10.960 -1.461 4.810 1.00 0.18 H new ATOM 0 HB THR A 15 9.505 0.430 4.899 1.00 0.23 H new ATOM 0 HG1 THR A 15 9.544 1.847 6.494 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.737 -0.369 6.421 1.00 0.90 H new ATOM 0 HG22 THR A 15 8.501 -1.711 5.537 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.922 -1.413 7.240 1.00 0.90 H new ATOM 236 N PRO A 16 12.490 0.489 4.155 1.00 0.21 N ATOM 237 CA PRO A 16 13.540 1.412 3.794 1.00 0.24 C ATOM 238 C PRO A 16 12.980 2.808 3.727 1.00 0.21 C ATOM 239 O PRO A 16 13.264 3.560 2.806 1.00 0.22 O ATOM 240 CB PRO A 16 13.964 0.921 2.416 1.00 0.28 C ATOM 241 CG PRO A 16 12.749 0.268 1.834 1.00 0.26 C ATOM 242 CD PRO A 16 11.765 0.022 2.962 1.00 0.19 C ATOM 0 HA PRO A 16 14.369 1.447 4.501 1.00 0.24 H new ATOM 0 HB2 PRO A 16 14.303 1.748 1.792 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.792 0.216 2.488 1.00 0.28 H new ATOM 0 HG2 PRO A 16 12.302 0.905 1.071 1.00 0.26 H new ATOM 0 HG3 PRO A 16 13.016 -0.671 1.349 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.837 0.575 2.814 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.499 -1.032 3.040 1.00 0.19 H new ATOM 250 N ARG A 17 12.153 3.130 4.715 1.00 0.21 N ATOM 251 CA ARG A 17 11.357 4.336 4.676 1.00 0.21 C ATOM 252 C ARG A 17 10.463 4.320 3.446 1.00 0.19 C ATOM 253 O ARG A 17 10.679 5.046 2.487 1.00 0.28 O ATOM 254 CB ARG A 17 12.238 5.581 4.660 1.00 0.26 C ATOM 255 CG ARG A 17 12.548 6.154 6.023 1.00 0.39 C ATOM 256 CD ARG A 17 13.366 7.428 5.910 1.00 0.37 C ATOM 257 NE ARG A 17 13.578 8.055 7.214 1.00 1.13 N ATOM 258 CZ ARG A 17 13.477 9.365 7.437 1.00 1.48 C ATOM 259 NH1 ARG A 17 13.256 10.202 6.428 1.00 1.46 N ATOM 260 NH2 ARG A 17 13.616 9.842 8.666 1.00 2.42 N ATOM 0 H ARG A 17 12.021 2.565 5.554 1.00 0.21 H new ATOM 0 HA ARG A 17 10.743 4.368 5.576 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.176 5.339 4.161 1.00 0.26 H new ATOM 0 HB3 ARG A 17 11.748 6.349 4.061 1.00 0.26 H new ATOM 0 HG2 ARG A 17 11.618 6.361 6.553 1.00 0.39 H new ATOM 0 HG3 ARG A 17 13.095 5.419 6.614 1.00 0.39 H new ATOM 0 HD2 ARG A 17 14.330 7.202 5.455 1.00 0.37 H new ATOM 0 HD3 ARG A 17 12.857 8.129 5.248 1.00 0.37 H new ATOM 0 HE ARG A 17 13.818 7.453 8.001 1.00 1.13 H new ATOM 0 HH11 ARG A 17 13.163 9.842 5.478 1.00 1.46 H new ATOM 0 HH12 ARG A 17 13.179 11.204 6.604 1.00 1.46 H new ATOM 0 HH21 ARG A 17 13.800 9.206 9.442 1.00 2.42 H new ATOM 0 HH22 ARG A 17 13.539 10.845 8.836 1.00 2.42 H new ATOM 274 N LEU A 18 9.474 3.465 3.441 1.00 0.16 N ATOM 275 CA LEU A 18 8.569 3.426 2.315 1.00 0.14 C ATOM 276 C LEU A 18 7.164 3.880 2.669 1.00 0.13 C ATOM 277 O LEU A 18 6.470 3.248 3.467 1.00 0.15 O ATOM 278 CB LEU A 18 8.519 2.042 1.727 1.00 0.19 C ATOM 279 CG LEU A 18 9.363 1.836 0.476 1.00 0.23 C ATOM 280 CD1 LEU A 18 10.748 2.409 0.663 1.00 0.25 C ATOM 281 CD2 LEU A 18 9.432 0.365 0.119 1.00 0.27 C ATOM 0 H LEU A 18 9.274 2.798 4.186 1.00 0.16 H new ATOM 0 HA LEU A 18 8.962 4.128 1.580 1.00 0.14 H new ATOM 0 HB2 LEU A 18 8.844 1.331 2.486 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.482 1.803 1.489 1.00 0.19 H new ATOM 0 HG LEU A 18 8.888 2.367 -0.349 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.333 2.250 -0.243 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.675 3.478 0.865 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.237 1.913 1.502 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.039 0.236 -0.777 1.00 0.27 H new ATOM 0 HD22 LEU A 18 9.881 -0.189 0.944 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.426 -0.012 -0.067 1.00 0.27 H new ATOM 293 N SER A 19 6.750 4.963 2.029 1.00 0.16 N ATOM 294 CA SER A 19 5.423 5.511 2.207 1.00 0.16 C ATOM 295 C SER A 19 4.627 5.403 0.920 1.00 0.14 C ATOM 296 O SER A 19 5.065 5.831 -0.147 1.00 0.18 O ATOM 297 CB SER A 19 5.529 6.957 2.654 1.00 0.23 C ATOM 298 OG SER A 19 4.280 7.623 2.600 1.00 0.67 O ATOM 0 H SER A 19 7.329 5.484 1.371 1.00 0.16 H new ATOM 0 HA SER A 19 4.899 4.941 2.974 1.00 0.16 H new ATOM 0 HB2 SER A 19 5.916 6.994 3.672 1.00 0.23 H new ATOM 0 HB3 SER A 19 6.246 7.480 2.022 1.00 0.23 H new ATOM 0 HG SER A 19 4.391 8.550 2.897 1.00 0.67 H new ATOM 304 N VAL A 20 3.459 4.827 1.055 1.00 0.14 N ATOM 305 CA VAL A 20 2.577 4.515 -0.047 1.00 0.14 C ATOM 306 C VAL A 20 1.414 5.495 -0.094 1.00 0.13 C ATOM 307 O VAL A 20 1.037 6.089 0.920 1.00 0.14 O ATOM 308 CB VAL A 20 2.026 3.070 0.068 1.00 0.19 C ATOM 309 CG1 VAL A 20 2.883 2.244 1.008 1.00 0.89 C ATOM 310 CG2 VAL A 20 0.575 3.048 0.522 1.00 0.85 C ATOM 0 H VAL A 20 3.082 4.553 1.962 1.00 0.14 H new ATOM 0 HA VAL A 20 3.158 4.597 -0.966 1.00 0.14 H new ATOM 0 HB VAL A 20 2.066 2.630 -0.928 1.00 0.19 H new ATOM 0 HG11 VAL A 20 2.480 1.234 1.075 1.00 0.89 H new ATOM 0 HG12 VAL A 20 3.904 2.203 0.628 1.00 0.89 H new ATOM 0 HG13 VAL A 20 2.882 2.701 1.997 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.230 2.016 0.589 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.493 3.522 1.500 1.00 0.85 H new ATOM 0 HG23 VAL A 20 -0.039 3.590 -0.197 1.00 0.85 H new ATOM 320 N ILE A 21 0.856 5.654 -1.275 1.00 0.16 N ATOM 321 CA ILE A 21 -0.282 6.524 -1.476 1.00 0.18 C ATOM 322 C ILE A 21 -1.559 5.705 -1.428 1.00 0.16 C ATOM 323 O ILE A 21 -1.796 4.875 -2.305 1.00 0.20 O ATOM 324 CB ILE A 21 -0.179 7.185 -2.860 1.00 0.28 C ATOM 325 CG1 ILE A 21 1.263 7.613 -3.122 1.00 0.23 C ATOM 326 CG2 ILE A 21 -1.124 8.366 -2.964 1.00 0.50 C ATOM 327 CD1 ILE A 21 1.500 8.125 -4.527 1.00 0.73 C ATOM 0 H ILE A 21 1.178 5.185 -2.121 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.295 7.285 -0.695 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.472 6.461 -3.620 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.537 8.392 -2.410 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.923 6.766 -2.937 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -1.034 8.818 -3.952 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -2.149 8.027 -2.812 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.870 9.104 -2.203 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.546 8.410 -4.639 1.00 0.73 H new ATOM 0 HD12 ILE A 21 1.259 7.341 -5.245 1.00 0.73 H new ATOM 0 HD13 ILE A 21 0.866 8.993 -4.710 1.00 0.73 H new ATOM 339 N VAL A 22 -2.385 5.941 -0.419 1.00 0.14 N ATOM 340 CA VAL A 22 -3.669 5.269 -0.327 1.00 0.13 C ATOM 341 C VAL A 22 -4.785 6.274 -0.441 1.00 0.13 C ATOM 342 O VAL A 22 -4.962 7.128 0.434 1.00 0.20 O ATOM 343 CB VAL A 22 -3.859 4.499 0.989 1.00 0.15 C ATOM 344 CG1 VAL A 22 -5.173 3.736 0.960 1.00 0.16 C ATOM 345 CG2 VAL A 22 -2.697 3.560 1.233 1.00 0.20 C ATOM 0 H VAL A 22 -2.189 6.590 0.343 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.691 4.551 -1.146 1.00 0.13 H new ATOM 0 HB VAL A 22 -3.890 5.214 1.811 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.299 3.193 1.897 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -5.998 4.437 0.833 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -5.165 3.030 0.130 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.852 3.025 2.170 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.629 2.845 0.414 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.772 4.133 1.292 1.00 0.20 H new ATOM 355 N THR A 23 -5.555 6.166 -1.492 1.00 0.15 N ATOM 356 CA THR A 23 -6.600 7.127 -1.722 1.00 0.18 C ATOM 357 C THR A 23 -7.919 6.453 -2.079 1.00 0.15 C ATOM 358 O THR A 23 -7.958 5.301 -2.517 1.00 0.16 O ATOM 359 CB THR A 23 -6.184 8.148 -2.811 1.00 0.33 C ATOM 360 OG1 THR A 23 -7.228 9.099 -3.042 1.00 1.21 O ATOM 361 CG2 THR A 23 -5.825 7.459 -4.115 1.00 0.87 C ATOM 0 H THR A 23 -5.480 5.431 -2.195 1.00 0.15 H new ATOM 0 HA THR A 23 -6.755 7.669 -0.789 1.00 0.18 H new ATOM 0 HB THR A 23 -5.300 8.668 -2.442 1.00 0.33 H new ATOM 0 HG1 THR A 23 -6.944 9.735 -3.731 1.00 1.21 H new ATOM 0 HG21 THR A 23 -5.539 8.207 -4.855 1.00 0.87 H new ATOM 0 HG22 THR A 23 -4.992 6.776 -3.948 1.00 0.87 H new ATOM 0 HG23 THR A 23 -6.686 6.899 -4.480 1.00 0.87 H new ATOM 369 N HIS A 24 -8.989 7.164 -1.794 1.00 0.20 N ATOM 370 CA HIS A 24 -10.317 6.822 -2.254 1.00 0.24 C ATOM 371 C HIS A 24 -10.905 8.091 -2.844 1.00 0.34 C ATOM 372 O HIS A 24 -11.270 9.000 -2.099 1.00 0.38 O ATOM 373 CB HIS A 24 -11.159 6.322 -1.067 1.00 0.31 C ATOM 374 CG HIS A 24 -12.640 6.334 -1.295 1.00 0.47 C ATOM 375 ND1 HIS A 24 -13.525 6.833 -0.373 1.00 1.20 N ATOM 376 CD2 HIS A 24 -13.384 5.916 -2.342 1.00 1.13 C ATOM 377 CE1 HIS A 24 -14.753 6.733 -0.846 1.00 1.08 C ATOM 378 NE2 HIS A 24 -14.698 6.177 -2.043 1.00 0.96 N ATOM 0 H HIS A 24 -8.959 8.011 -1.226 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.300 6.027 -2.999 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.851 5.305 -0.825 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -10.935 6.938 -0.196 1.00 0.31 H new ATOM 0 HD1 HIS A 24 -13.273 7.221 0.536 1.00 1.20 H new ATOM 0 HD2 HIS A 24 -13.013 5.460 -3.248 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.652 7.052 -0.340 1.00 1.08 H new ATOM 387 N SER A 25 -11.006 8.140 -4.170 1.00 0.41 N ATOM 388 CA SER A 25 -11.378 9.368 -4.894 1.00 0.55 C ATOM 389 C SER A 25 -10.289 10.450 -4.742 1.00 0.60 C ATOM 390 O SER A 25 -9.732 10.938 -5.725 1.00 0.99 O ATOM 391 CB SER A 25 -12.732 9.901 -4.400 1.00 0.63 C ATOM 392 OG SER A 25 -13.132 11.054 -5.125 1.00 1.17 O ATOM 0 H SER A 25 -10.835 7.338 -4.777 1.00 0.41 H new ATOM 0 HA SER A 25 -11.468 9.119 -5.951 1.00 0.55 H new ATOM 0 HB2 SER A 25 -13.490 9.124 -4.503 1.00 0.63 H new ATOM 0 HB3 SER A 25 -12.664 10.142 -3.339 1.00 0.63 H new ATOM 0 HG SER A 25 -13.997 11.368 -4.789 1.00 1.17 H new ATOM 398 N ASN A 26 -9.977 10.771 -3.494 1.00 0.44 N ATOM 399 CA ASN A 26 -9.020 11.813 -3.132 1.00 0.50 C ATOM 400 C ASN A 26 -8.615 11.611 -1.679 1.00 0.43 C ATOM 401 O ASN A 26 -7.491 11.910 -1.278 1.00 0.47 O ATOM 402 CB ASN A 26 -9.636 13.207 -3.310 1.00 0.65 C ATOM 403 CG ASN A 26 -8.716 14.317 -2.837 1.00 1.42 C ATOM 404 OD1 ASN A 26 -8.750 14.720 -1.668 1.00 2.19 O ATOM 405 ND2 ASN A 26 -7.896 14.827 -3.743 1.00 2.02 N ATOM 0 H ASN A 26 -10.390 10.305 -2.686 1.00 0.44 H new ATOM 0 HA ASN A 26 -8.149 11.744 -3.783 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -9.876 13.362 -4.362 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -10.575 13.258 -2.758 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -7.260 15.582 -3.487 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -7.901 14.465 -4.696 1.00 2.02 H new ATOM 412 N GLU A 27 -9.580 11.094 -0.921 1.00 0.41 N ATOM 413 CA GLU A 27 -9.427 10.712 0.481 1.00 0.42 C ATOM 414 C GLU A 27 -8.113 9.957 0.704 1.00 0.37 C ATOM 415 O GLU A 27 -7.995 8.764 0.400 1.00 0.49 O ATOM 416 CB GLU A 27 -10.642 9.860 0.820 1.00 0.50 C ATOM 417 CG GLU A 27 -10.805 9.434 2.261 1.00 0.58 C ATOM 418 CD GLU A 27 -12.170 8.809 2.471 1.00 1.21 C ATOM 419 OE1 GLU A 27 -12.383 7.664 2.023 1.00 1.58 O ATOM 420 OE2 GLU A 27 -13.021 9.441 3.134 1.00 1.75 O ATOM 0 H GLU A 27 -10.520 10.924 -1.278 1.00 0.41 H new ATOM 0 HA GLU A 27 -9.377 11.584 1.133 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -11.535 10.413 0.528 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -10.608 8.962 0.204 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -10.025 8.720 2.527 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -10.686 10.296 2.918 1.00 0.58 H new ATOM 427 N ARG A 28 -7.141 10.664 1.253 1.00 0.33 N ATOM 428 CA ARG A 28 -5.756 10.214 1.257 1.00 0.33 C ATOM 429 C ARG A 28 -5.229 9.957 2.659 1.00 0.30 C ATOM 430 O ARG A 28 -5.335 10.802 3.547 1.00 0.36 O ATOM 431 CB ARG A 28 -4.869 11.267 0.591 1.00 0.48 C ATOM 432 CG ARG A 28 -3.406 10.856 0.478 1.00 0.72 C ATOM 433 CD ARG A 28 -3.203 9.828 -0.621 1.00 0.76 C ATOM 434 NE ARG A 28 -3.691 10.329 -1.908 1.00 1.75 N ATOM 435 CZ ARG A 28 -3.017 11.185 -2.680 1.00 2.38 C ATOM 436 NH1 ARG A 28 -1.804 11.596 -2.323 1.00 2.45 N ATOM 437 NH2 ARG A 28 -3.556 11.615 -3.815 1.00 3.31 N ATOM 0 H ARG A 28 -7.287 11.565 1.708 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.728 9.273 0.707 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -5.256 11.477 -0.406 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -4.933 12.195 1.159 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -2.794 11.735 0.274 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -3.067 10.446 1.429 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -2.144 9.581 -0.701 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -3.727 8.907 -0.363 1.00 0.76 H new ATOM 0 HE ARG A 28 -4.601 10.004 -2.234 1.00 1.75 H new ATOM 0 HH11 ARG A 28 -1.385 11.257 -1.457 1.00 2.45 H new ATOM 0 HH12 ARG A 28 -1.292 12.250 -2.915 1.00 2.45 H new ATOM 0 HH21 ARG A 28 -4.482 11.291 -4.095 1.00 3.31 H new ATOM 0 HH22 ARG A 28 -3.044 12.269 -4.407 1.00 3.31 H new ATOM 451 N TYR A 29 -4.679 8.772 2.846 1.00 0.28 N ATOM 452 CA TYR A 29 -3.874 8.475 4.016 1.00 0.27 C ATOM 453 C TYR A 29 -2.538 7.917 3.544 1.00 0.25 C ATOM 454 O TYR A 29 -2.512 7.043 2.674 1.00 0.27 O ATOM 455 CB TYR A 29 -4.583 7.471 4.933 1.00 0.34 C ATOM 456 CG TYR A 29 -4.035 7.432 6.347 1.00 0.93 C ATOM 457 CD1 TYR A 29 -2.946 6.636 6.670 1.00 1.30 C ATOM 458 CD2 TYR A 29 -4.622 8.179 7.361 1.00 1.65 C ATOM 459 CE1 TYR A 29 -2.453 6.585 7.959 1.00 1.95 C ATOM 460 CE2 TYR A 29 -4.132 8.135 8.653 1.00 2.31 C ATOM 461 CZ TYR A 29 -3.048 7.335 8.945 1.00 2.36 C ATOM 462 OH TYR A 29 -2.571 7.273 10.233 1.00 3.09 O ATOM 0 H TYR A 29 -4.777 7.992 2.196 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.718 9.386 4.594 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -5.644 7.717 4.972 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -4.503 6.476 4.496 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -2.475 6.045 5.899 1.00 1.30 H new ATOM 0 HD2 TYR A 29 -5.474 8.804 7.136 1.00 1.65 H new ATOM 0 HE1 TYR A 29 -1.604 5.959 8.191 1.00 1.95 H new ATOM 0 HE2 TYR A 29 -4.596 8.725 9.430 1.00 2.31 H new ATOM 0 HH TYR A 29 -3.102 7.864 10.807 1.00 3.09 H new ATOM 472 N ASP A 30 -1.438 8.427 4.076 1.00 0.27 N ATOM 473 CA ASP A 30 -0.129 7.883 3.731 1.00 0.30 C ATOM 474 C ASP A 30 0.115 6.611 4.527 1.00 0.25 C ATOM 475 O ASP A 30 0.104 6.610 5.758 1.00 0.34 O ATOM 476 CB ASP A 30 0.995 8.894 3.985 1.00 0.50 C ATOM 477 CG ASP A 30 1.172 9.882 2.846 1.00 1.27 C ATOM 478 OD1 ASP A 30 1.200 9.454 1.672 1.00 1.99 O ATOM 479 OD2 ASP A 30 1.314 11.093 3.120 1.00 2.01 O ATOM 0 H ASP A 30 -1.421 9.203 4.737 1.00 0.27 H new ATOM 0 HA ASP A 30 -0.125 7.658 2.665 1.00 0.30 H new ATOM 0 HB2 ASP A 30 0.783 9.441 4.904 1.00 0.50 H new ATOM 0 HB3 ASP A 30 1.931 8.357 4.142 1.00 0.50 H new ATOM 484 N LEU A 31 0.334 5.533 3.804 1.00 0.18 N ATOM 485 CA LEU A 31 0.443 4.207 4.383 1.00 0.15 C ATOM 486 C LEU A 31 1.860 3.709 4.181 1.00 0.14 C ATOM 487 O LEU A 31 2.556 4.215 3.322 1.00 0.18 O ATOM 488 CB LEU A 31 -0.580 3.276 3.735 1.00 0.15 C ATOM 489 CG LEU A 31 -1.445 2.483 4.711 1.00 0.14 C ATOM 490 CD1 LEU A 31 -0.658 1.321 5.295 1.00 0.17 C ATOM 491 CD2 LEU A 31 -1.928 3.394 5.826 1.00 0.16 C ATOM 0 H LEU A 31 0.442 5.551 2.790 1.00 0.18 H new ATOM 0 HA LEU A 31 0.231 4.234 5.452 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.233 3.869 3.094 1.00 0.15 H new ATOM 0 HB3 LEU A 31 -0.052 2.574 3.089 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.305 2.085 4.173 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.289 0.766 5.989 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.334 0.660 4.491 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.215 1.702 5.825 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.545 2.824 6.520 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -1.070 3.805 6.357 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.516 4.208 5.402 1.00 0.16 H new ATOM 503 N LEU A 32 2.328 2.790 4.997 1.00 0.15 N ATOM 504 CA LEU A 32 3.712 2.359 4.885 1.00 0.16 C ATOM 505 C LEU A 32 3.794 0.912 4.412 1.00 0.14 C ATOM 506 O LEU A 32 3.003 0.066 4.832 1.00 0.14 O ATOM 507 CB LEU A 32 4.440 2.603 6.220 1.00 0.19 C ATOM 508 CG LEU A 32 5.481 1.558 6.644 1.00 0.22 C ATOM 509 CD1 LEU A 32 6.570 2.206 7.480 1.00 0.52 C ATOM 510 CD2 LEU A 32 4.823 0.444 7.447 1.00 0.73 C ATOM 0 H LEU A 32 1.788 2.333 5.731 1.00 0.15 H new ATOM 0 HA LEU A 32 4.222 2.951 4.125 1.00 0.16 H new ATOM 0 HB2 LEU A 32 4.936 3.572 6.164 1.00 0.19 H new ATOM 0 HB3 LEU A 32 3.690 2.674 7.008 1.00 0.19 H new ATOM 0 HG LEU A 32 5.923 1.135 5.742 1.00 0.22 H new ATOM 0 HD11 LEU A 32 7.301 1.452 7.773 1.00 0.52 H new ATOM 0 HD12 LEU A 32 7.064 2.982 6.896 1.00 0.52 H new ATOM 0 HD13 LEU A 32 6.128 2.649 8.372 1.00 0.52 H new ATOM 0 HD21 LEU A 32 5.576 -0.288 7.739 1.00 0.73 H new ATOM 0 HD22 LEU A 32 4.360 0.864 8.340 1.00 0.73 H new ATOM 0 HD23 LEU A 32 4.061 -0.043 6.838 1.00 0.73 H new ATOM 522 N VAL A 33 4.767 0.649 3.536 1.00 0.14 N ATOM 523 CA VAL A 33 4.945 -0.668 2.924 1.00 0.14 C ATOM 524 C VAL A 33 5.325 -1.683 3.993 1.00 0.14 C ATOM 525 O VAL A 33 5.991 -1.341 4.969 1.00 0.15 O ATOM 526 CB VAL A 33 6.026 -0.638 1.791 1.00 0.17 C ATOM 527 CG1 VAL A 33 6.960 -1.845 1.849 1.00 0.98 C ATOM 528 CG2 VAL A 33 5.344 -0.578 0.436 1.00 1.15 C ATOM 0 H VAL A 33 5.451 1.342 3.232 1.00 0.14 H new ATOM 0 HA VAL A 33 4.000 -0.960 2.465 1.00 0.14 H new ATOM 0 HB VAL A 33 6.636 0.252 1.943 1.00 0.17 H new ATOM 0 HG11 VAL A 33 7.691 -1.778 1.043 1.00 0.98 H new ATOM 0 HG12 VAL A 33 7.477 -1.859 2.808 1.00 0.98 H new ATOM 0 HG13 VAL A 33 6.379 -2.760 1.737 1.00 0.98 H new ATOM 0 HG21 VAL A 33 6.098 -0.557 -0.350 1.00 1.15 H new ATOM 0 HG22 VAL A 33 4.711 -1.456 0.308 1.00 1.15 H new ATOM 0 HG23 VAL A 33 4.732 0.322 0.376 1.00 1.15 H new ATOM 538 N THR A 34 4.911 -2.931 3.806 1.00 0.14 N ATOM 539 CA THR A 34 4.938 -3.892 4.884 1.00 0.17 C ATOM 540 C THR A 34 6.310 -4.527 5.031 1.00 0.17 C ATOM 541 O THR A 34 6.831 -5.174 4.117 1.00 0.18 O ATOM 542 CB THR A 34 3.872 -4.982 4.671 1.00 0.19 C ATOM 543 OG1 THR A 34 2.595 -4.364 4.468 1.00 0.21 O ATOM 544 CG2 THR A 34 3.800 -5.926 5.865 1.00 0.23 C ATOM 0 H THR A 34 4.556 -3.292 2.921 1.00 0.14 H new ATOM 0 HA THR A 34 4.714 -3.354 5.805 1.00 0.17 H new ATOM 0 HB THR A 34 4.148 -5.567 3.794 1.00 0.19 H new ATOM 0 HG1 THR A 34 1.905 -4.878 4.937 1.00 0.21 H new ATOM 0 HG21 THR A 34 3.038 -6.684 5.684 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.767 -6.409 6.005 1.00 0.23 H new ATOM 0 HG23 THR A 34 3.543 -5.361 6.761 1.00 0.23 H new ATOM 552 N PRO A 35 6.910 -4.311 6.209 1.00 0.18 N ATOM 553 CA PRO A 35 8.228 -4.823 6.547 1.00 0.20 C ATOM 554 C PRO A 35 8.216 -6.334 6.704 1.00 0.23 C ATOM 555 O PRO A 35 7.149 -6.932 6.853 1.00 0.35 O ATOM 556 CB PRO A 35 8.556 -4.134 7.872 1.00 0.27 C ATOM 557 CG PRO A 35 7.231 -3.866 8.486 1.00 0.32 C ATOM 558 CD PRO A 35 6.316 -3.557 7.334 1.00 0.22 C ATOM 0 HA PRO A 35 8.965 -4.621 5.770 1.00 0.20 H new ATOM 0 HB2 PRO A 35 9.168 -4.771 8.510 1.00 0.27 H new ATOM 0 HB3 PRO A 35 9.114 -3.211 7.713 1.00 0.27 H new ATOM 0 HG2 PRO A 35 6.877 -4.729 9.049 1.00 0.32 H new ATOM 0 HG3 PRO A 35 7.282 -3.030 9.183 1.00 0.32 H new ATOM 0 HD2 PRO A 35 5.294 -3.877 7.536 1.00 0.22 H new ATOM 0 HD3 PRO A 35 6.280 -2.488 7.126 1.00 0.22 H new ATOM 566 N GLN A 36 9.409 -6.923 6.625 1.00 0.26 N ATOM 567 CA GLN A 36 9.626 -8.372 6.707 1.00 0.29 C ATOM 568 C GLN A 36 9.595 -8.989 5.319 1.00 0.30 C ATOM 569 O GLN A 36 9.267 -10.163 5.151 1.00 0.73 O ATOM 570 CB GLN A 36 8.629 -9.086 7.636 1.00 0.42 C ATOM 571 CG GLN A 36 8.720 -8.659 9.093 1.00 0.59 C ATOM 572 CD GLN A 36 7.692 -9.351 9.969 1.00 0.98 C ATOM 573 OE1 GLN A 36 7.930 -9.591 11.152 1.00 1.69 O ATOM 574 NE2 GLN A 36 6.543 -9.673 9.396 1.00 1.72 N ATOM 0 H GLN A 36 10.273 -6.396 6.499 1.00 0.26 H new ATOM 0 HA GLN A 36 10.612 -8.514 7.149 1.00 0.29 H new ATOM 0 HB2 GLN A 36 7.617 -8.899 7.277 1.00 0.42 H new ATOM 0 HB3 GLN A 36 8.796 -10.161 7.573 1.00 0.42 H new ATOM 0 HG2 GLN A 36 9.719 -8.877 9.470 1.00 0.59 H new ATOM 0 HG3 GLN A 36 8.582 -7.580 9.161 1.00 0.59 H new ATOM 0 HE21 GLN A 36 6.385 -9.456 8.412 1.00 1.72 H new ATOM 0 HE22 GLN A 36 5.815 -10.138 9.939 1.00 1.72 H new ATOM 583 N GLN A 37 9.925 -8.183 4.318 1.00 0.33 N ATOM 584 CA GLN A 37 10.112 -8.693 2.973 1.00 0.26 C ATOM 585 C GLN A 37 11.558 -8.500 2.545 1.00 0.30 C ATOM 586 O GLN A 37 12.452 -9.226 2.968 1.00 0.74 O ATOM 587 CB GLN A 37 9.198 -8.007 1.952 1.00 0.23 C ATOM 588 CG GLN A 37 8.415 -8.997 1.103 1.00 0.26 C ATOM 589 CD GLN A 37 9.310 -10.053 0.465 1.00 0.44 C ATOM 590 OE1 GLN A 37 9.825 -9.867 -0.639 1.00 1.02 O ATOM 591 NE2 GLN A 37 9.497 -11.174 1.147 1.00 1.42 N ATOM 0 H GLN A 37 10.067 -7.178 4.415 1.00 0.33 H new ATOM 0 HA GLN A 37 9.854 -9.752 2.996 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.501 -7.354 2.477 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.800 -7.373 1.301 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.664 -9.488 1.722 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.881 -8.457 0.321 1.00 0.26 H new ATOM 0 HE21 GLN A 37 9.056 -11.296 2.059 1.00 1.42 H new ATOM 0 HE22 GLN A 37 10.082 -11.915 0.760 1.00 1.42 H new ATOM 600 N GLY A 38 11.771 -7.484 1.730 1.00 0.43 N ATOM 601 CA GLY A 38 13.095 -7.117 1.297 1.00 0.34 C ATOM 602 C GLY A 38 13.191 -5.626 1.288 1.00 0.38 C ATOM 603 O GLY A 38 13.957 -5.053 0.522 1.00 0.83 O ATOM 0 H GLY A 38 11.029 -6.894 1.353 1.00 0.43 H new ATOM 0 HA2 GLY A 38 13.844 -7.541 1.966 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.293 -7.516 0.302 1.00 0.34 H new ATOM 607 N ASN A 39 12.359 -5.030 2.158 1.00 0.27 N ATOM 608 CA ASN A 39 12.106 -3.581 2.265 1.00 0.22 C ATOM 609 C ASN A 39 11.648 -2.936 0.961 1.00 0.21 C ATOM 610 O ASN A 39 10.720 -2.142 0.968 1.00 0.27 O ATOM 611 CB ASN A 39 13.275 -2.802 2.902 1.00 0.29 C ATOM 612 CG ASN A 39 14.631 -2.956 2.227 1.00 0.40 C ATOM 613 OD1 ASN A 39 15.414 -3.840 2.584 1.00 1.06 O ATOM 614 ND2 ASN A 39 14.933 -2.092 1.272 1.00 1.11 N ATOM 0 H ASN A 39 11.820 -5.568 2.837 1.00 0.27 H new ATOM 0 HA ASN A 39 11.264 -3.508 2.954 1.00 0.22 H new ATOM 0 HB2 ASN A 39 13.016 -1.743 2.913 1.00 0.29 H new ATOM 0 HB3 ASN A 39 13.371 -3.117 3.941 1.00 0.29 H new ATOM 0 HD21 ASN A 39 15.838 -2.144 0.805 1.00 1.11 H new ATOM 0 HD22 ASN A 39 14.261 -1.374 1.003 1.00 1.11 H new ATOM 621 N SER A 40 12.255 -3.296 -0.143 1.00 0.24 N ATOM 622 CA SER A 40 11.933 -2.699 -1.422 1.00 0.32 C ATOM 623 C SER A 40 10.784 -3.437 -2.078 1.00 0.32 C ATOM 624 O SER A 40 10.011 -2.851 -2.819 1.00 0.50 O ATOM 625 CB SER A 40 13.154 -2.728 -2.337 1.00 0.40 C ATOM 626 OG SER A 40 12.850 -2.229 -3.628 1.00 1.42 O ATOM 0 H SER A 40 12.984 -4.008 -0.184 1.00 0.24 H new ATOM 0 HA SER A 40 11.635 -1.664 -1.254 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.954 -2.134 -1.896 1.00 0.40 H new ATOM 0 HB3 SER A 40 13.524 -3.750 -2.419 1.00 0.40 H new ATOM 0 HG SER A 40 12.944 -1.254 -3.632 1.00 1.42 H new ATOM 632 N GLU A 41 10.648 -4.713 -1.765 1.00 0.24 N ATOM 633 CA GLU A 41 9.701 -5.565 -2.445 1.00 0.31 C ATOM 634 C GLU A 41 8.748 -6.086 -1.409 1.00 0.26 C ATOM 635 O GLU A 41 9.020 -7.093 -0.793 1.00 0.30 O ATOM 636 CB GLU A 41 10.412 -6.735 -3.134 1.00 0.45 C ATOM 637 CG GLU A 41 11.468 -6.319 -4.146 1.00 1.12 C ATOM 638 CD GLU A 41 12.283 -7.499 -4.641 1.00 1.32 C ATOM 639 OE1 GLU A 41 13.213 -7.935 -3.927 1.00 1.83 O ATOM 640 OE2 GLU A 41 12.005 -7.988 -5.756 1.00 1.66 O ATOM 0 H GLU A 41 11.188 -5.181 -1.037 1.00 0.24 H new ATOM 0 HA GLU A 41 9.176 -5.001 -3.216 1.00 0.31 H new ATOM 0 HB2 GLU A 41 10.881 -7.358 -2.373 1.00 0.45 H new ATOM 0 HB3 GLU A 41 9.667 -7.352 -3.637 1.00 0.45 H new ATOM 0 HG2 GLU A 41 10.985 -5.832 -4.993 1.00 1.12 H new ATOM 0 HG3 GLU A 41 12.134 -5.584 -3.693 1.00 1.12 H new ATOM 647 N PRO A 42 7.654 -5.369 -1.171 1.00 0.22 N ATOM 648 CA PRO A 42 6.709 -5.669 -0.091 1.00 0.21 C ATOM 649 C PRO A 42 6.058 -7.042 -0.230 1.00 0.20 C ATOM 650 O PRO A 42 6.114 -7.667 -1.282 1.00 0.20 O ATOM 651 CB PRO A 42 5.655 -4.574 -0.212 1.00 0.23 C ATOM 652 CG PRO A 42 6.285 -3.505 -1.031 1.00 0.26 C ATOM 653 CD PRO A 42 7.242 -4.194 -1.948 1.00 0.24 C ATOM 0 HA PRO A 42 7.213 -5.693 0.875 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.750 -4.951 -0.688 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.366 -4.198 0.769 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.534 -2.953 -1.595 1.00 0.26 H new ATOM 0 HG3 PRO A 42 6.802 -2.784 -0.399 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.768 -4.477 -2.888 1.00 0.24 H new ATOM 0 HD3 PRO A 42 8.091 -3.558 -2.198 1.00 0.24 H new ATOM 661 N VAL A 43 5.452 -7.517 0.849 1.00 0.21 N ATOM 662 CA VAL A 43 4.799 -8.816 0.835 1.00 0.22 C ATOM 663 C VAL A 43 3.471 -8.702 0.104 1.00 0.19 C ATOM 664 O VAL A 43 2.932 -7.606 0.014 1.00 0.17 O ATOM 665 CB VAL A 43 4.533 -9.357 2.257 1.00 0.26 C ATOM 666 CG1 VAL A 43 5.828 -9.589 3.014 1.00 0.32 C ATOM 667 CG2 VAL A 43 3.626 -8.418 3.038 1.00 0.24 C ATOM 0 H VAL A 43 5.399 -7.024 1.741 1.00 0.21 H new ATOM 0 HA VAL A 43 5.470 -9.511 0.330 1.00 0.22 H new ATOM 0 HB VAL A 43 4.027 -10.317 2.149 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.604 -9.970 4.010 1.00 0.32 H new ATOM 0 HG12 VAL A 43 6.438 -10.315 2.477 1.00 0.32 H new ATOM 0 HG13 VAL A 43 6.373 -8.649 3.099 1.00 0.32 H new ATOM 0 HG21 VAL A 43 3.455 -8.823 4.035 1.00 0.24 H new ATOM 0 HG22 VAL A 43 4.099 -7.440 3.120 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.673 -8.318 2.519 1.00 0.24 H new ATOM 677 N VAL A 44 2.931 -9.812 -0.397 1.00 0.22 N ATOM 678 CA VAL A 44 1.669 -9.774 -1.151 1.00 0.22 C ATOM 679 C VAL A 44 0.600 -9.062 -0.337 1.00 0.20 C ATOM 680 O VAL A 44 -0.200 -8.288 -0.854 1.00 0.25 O ATOM 681 CB VAL A 44 1.179 -11.191 -1.525 1.00 0.27 C ATOM 682 CG1 VAL A 44 2.100 -11.815 -2.556 1.00 0.36 C ATOM 683 CG2 VAL A 44 1.081 -12.085 -0.297 1.00 0.36 C ATOM 0 H VAL A 44 3.339 -10.742 -0.299 1.00 0.22 H new ATOM 0 HA VAL A 44 1.855 -9.229 -2.076 1.00 0.22 H new ATOM 0 HB VAL A 44 0.181 -11.096 -1.953 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.741 -12.813 -2.808 1.00 0.36 H new ATOM 0 HG12 VAL A 44 2.114 -11.196 -3.453 1.00 0.36 H new ATOM 0 HG13 VAL A 44 3.108 -11.885 -2.148 1.00 0.36 H new ATOM 0 HG21 VAL A 44 0.734 -13.075 -0.594 1.00 0.36 H new ATOM 0 HG22 VAL A 44 2.062 -12.170 0.170 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.377 -11.652 0.413 1.00 0.36 H new ATOM 693 N GLN A 45 0.701 -9.265 0.958 1.00 0.19 N ATOM 694 CA GLN A 45 -0.217 -8.719 1.937 1.00 0.19 C ATOM 695 C GLN A 45 -0.190 -7.199 1.924 1.00 0.16 C ATOM 696 O GLN A 45 -1.191 -6.553 2.228 1.00 0.19 O ATOM 697 CB GLN A 45 0.142 -9.231 3.330 1.00 0.25 C ATOM 698 CG GLN A 45 0.165 -10.748 3.426 1.00 0.62 C ATOM 699 CD GLN A 45 0.652 -11.237 4.772 1.00 0.89 C ATOM 700 OE1 GLN A 45 -0.136 -11.421 5.697 1.00 1.66 O ATOM 701 NE2 GLN A 45 1.952 -11.462 4.882 1.00 1.44 N ATOM 0 H GLN A 45 1.443 -9.829 1.372 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.224 -9.046 1.678 1.00 0.19 H new ATOM 0 HB2 GLN A 45 1.120 -8.841 3.612 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -0.577 -8.839 4.050 1.00 0.25 H new ATOM 0 HG2 GLN A 45 -0.837 -11.135 3.243 1.00 0.62 H new ATOM 0 HG3 GLN A 45 0.809 -11.148 2.643 1.00 0.62 H new ATOM 0 HE21 GLN A 45 2.568 -11.295 4.086 1.00 1.44 H new ATOM 0 HE22 GLN A 45 2.338 -11.803 5.763 1.00 1.44 H new ATOM 710 N ASP A 46 0.976 -6.639 1.600 1.00 0.15 N ATOM 711 CA ASP A 46 1.234 -5.219 1.774 1.00 0.14 C ATOM 712 C ASP A 46 0.258 -4.381 0.997 1.00 0.14 C ATOM 713 O ASP A 46 -0.273 -3.410 1.530 1.00 0.15 O ATOM 714 CB ASP A 46 2.667 -4.874 1.356 1.00 0.17 C ATOM 715 CG ASP A 46 2.804 -3.435 0.893 1.00 0.14 C ATOM 716 OD1 ASP A 46 2.589 -3.188 -0.302 1.00 0.17 O ATOM 717 OD2 ASP A 46 3.127 -2.554 1.729 1.00 0.16 O ATOM 0 H ASP A 46 1.762 -7.159 1.211 1.00 0.15 H new ATOM 0 HA ASP A 46 1.108 -4.993 2.833 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.339 -5.048 2.196 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.979 -5.542 0.554 1.00 0.17 H new ATOM 722 N LEU A 47 -0.017 -4.765 -0.237 1.00 0.18 N ATOM 723 CA LEU A 47 -0.845 -3.964 -1.066 1.00 0.22 C ATOM 724 C LEU A 47 -2.209 -3.812 -0.414 1.00 0.19 C ATOM 725 O LEU A 47 -2.638 -2.689 -0.163 1.00 0.22 O ATOM 726 CB LEU A 47 -0.916 -4.603 -2.456 1.00 0.28 C ATOM 727 CG LEU A 47 -1.659 -5.936 -2.579 1.00 0.62 C ATOM 728 CD1 LEU A 47 -3.094 -5.711 -3.024 1.00 1.07 C ATOM 729 CD2 LEU A 47 -0.936 -6.852 -3.551 1.00 1.01 C ATOM 0 H LEU A 47 0.327 -5.623 -0.668 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.435 -2.961 -1.186 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -1.389 -3.890 -3.131 1.00 0.28 H new ATOM 0 HB3 LEU A 47 0.104 -4.751 -2.812 1.00 0.28 H new ATOM 0 HG LEU A 47 -1.678 -6.414 -1.599 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -3.604 -6.671 -3.105 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -3.608 -5.087 -2.293 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -3.100 -5.213 -3.994 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -1.474 -7.797 -3.630 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -0.889 -6.378 -4.531 1.00 1.01 H new ATOM 0 HD23 LEU A 47 0.075 -7.040 -3.190 1.00 1.01 H new ATOM 741 N ALA A 48 -2.796 -4.932 0.010 1.00 0.18 N ATOM 742 CA ALA A 48 -4.102 -4.929 0.655 1.00 0.17 C ATOM 743 C ALA A 48 -4.049 -4.190 1.973 1.00 0.14 C ATOM 744 O ALA A 48 -4.979 -3.472 2.338 1.00 0.16 O ATOM 745 CB ALA A 48 -4.582 -6.350 0.884 1.00 0.19 C ATOM 0 H ALA A 48 -2.380 -5.859 -0.085 1.00 0.18 H new ATOM 0 HA ALA A 48 -4.802 -4.417 -0.005 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.559 -6.331 1.367 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -4.660 -6.866 -0.073 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -3.872 -6.875 1.523 1.00 0.19 H new ATOM 751 N GLN A 49 -2.932 -4.352 2.662 1.00 0.13 N ATOM 752 CA GLN A 49 -2.739 -3.761 3.970 1.00 0.13 C ATOM 753 C GLN A 49 -2.821 -2.264 3.884 1.00 0.12 C ATOM 754 O GLN A 49 -3.432 -1.614 4.709 1.00 0.13 O ATOM 755 CB GLN A 49 -1.356 -4.118 4.512 1.00 0.15 C ATOM 756 CG GLN A 49 -1.050 -3.520 5.872 1.00 0.20 C ATOM 757 CD GLN A 49 -1.644 -4.322 7.014 1.00 0.33 C ATOM 758 OE1 GLN A 49 -1.829 -5.536 6.906 1.00 0.94 O ATOM 759 NE2 GLN A 49 -1.930 -3.657 8.124 1.00 1.35 N ATOM 0 H GLN A 49 -2.136 -4.896 2.329 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.518 -4.147 4.628 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.272 -5.203 4.577 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.601 -3.782 3.801 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.030 -3.457 6.001 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -1.435 -2.501 5.911 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -1.762 -2.652 8.174 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -2.318 -4.150 8.928 1.00 1.35 H new ATOM 768 N LEU A 50 -2.185 -1.740 2.871 1.00 0.12 N ATOM 769 CA LEU A 50 -2.042 -0.306 2.703 1.00 0.12 C ATOM 770 C LEU A 50 -3.401 0.407 2.600 1.00 0.12 C ATOM 771 O LEU A 50 -3.727 1.295 3.399 1.00 0.13 O ATOM 772 CB LEU A 50 -1.232 -0.073 1.437 1.00 0.12 C ATOM 773 CG LEU A 50 0.222 -0.579 1.476 1.00 0.11 C ATOM 774 CD1 LEU A 50 0.884 -0.413 0.121 1.00 0.12 C ATOM 775 CD2 LEU A 50 0.998 0.159 2.544 1.00 0.13 C ATOM 0 H LEU A 50 -1.748 -2.291 2.133 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.540 0.109 3.577 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.744 -0.557 0.605 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -1.220 0.996 1.226 1.00 0.12 H new ATOM 0 HG LEU A 50 0.216 -1.641 1.720 1.00 0.11 H new ATOM 0 HD11 LEU A 50 1.910 -0.777 0.171 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.332 -0.984 -0.626 1.00 0.12 H new ATOM 0 HD13 LEU A 50 0.885 0.641 -0.157 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.025 -0.205 2.565 1.00 0.13 H new ATOM 0 HD22 LEU A 50 0.996 1.226 2.323 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.533 -0.012 3.515 1.00 0.13 H new ATOM 787 N VAL A 51 -4.213 -0.037 1.661 1.00 0.11 N ATOM 788 CA VAL A 51 -5.548 0.513 1.450 1.00 0.10 C ATOM 789 C VAL A 51 -6.424 0.274 2.686 1.00 0.10 C ATOM 790 O VAL A 51 -7.234 1.126 3.063 1.00 0.10 O ATOM 791 CB VAL A 51 -6.135 -0.132 0.197 1.00 0.11 C ATOM 792 CG1 VAL A 51 -7.498 -0.738 0.443 1.00 0.21 C ATOM 793 CG2 VAL A 51 -6.185 0.875 -0.934 1.00 0.18 C ATOM 0 H VAL A 51 -3.970 -0.791 1.019 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.502 1.592 1.303 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.477 -0.953 -0.087 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.870 -1.183 -0.480 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -7.421 -1.507 1.212 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -8.187 0.039 0.775 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.605 0.404 -1.822 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -6.809 1.720 -0.642 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.177 1.227 -1.153 1.00 0.18 H new ATOM 803 N GLU A 52 -6.202 -0.871 3.331 1.00 0.11 N ATOM 804 CA GLU A 52 -6.940 -1.264 4.528 1.00 0.12 C ATOM 805 C GLU A 52 -6.526 -0.427 5.743 1.00 0.13 C ATOM 806 O GLU A 52 -7.367 0.119 6.457 1.00 0.16 O ATOM 807 CB GLU A 52 -6.701 -2.758 4.802 1.00 0.17 C ATOM 808 CG GLU A 52 -6.982 -3.192 6.232 1.00 0.50 C ATOM 809 CD GLU A 52 -6.982 -4.697 6.400 1.00 0.53 C ATOM 810 OE1 GLU A 52 -7.980 -5.344 6.017 1.00 0.74 O ATOM 811 OE2 GLU A 52 -5.974 -5.243 6.895 1.00 0.74 O ATOM 0 H GLU A 52 -5.503 -1.553 3.036 1.00 0.11 H new ATOM 0 HA GLU A 52 -8.001 -1.086 4.356 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -7.328 -3.342 4.129 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.665 -2.997 4.560 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -6.232 -2.757 6.893 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -7.949 -2.796 6.543 1.00 0.50 H new ATOM 818 N GLU A 53 -5.220 -0.308 5.944 1.00 0.13 N ATOM 819 CA GLU A 53 -4.663 0.309 7.143 1.00 0.15 C ATOM 820 C GLU A 53 -4.849 1.815 7.128 1.00 0.16 C ATOM 821 O GLU A 53 -4.857 2.455 8.179 1.00 0.19 O ATOM 822 CB GLU A 53 -3.179 -0.047 7.281 1.00 0.19 C ATOM 823 CG GLU A 53 -2.481 0.649 8.435 1.00 0.24 C ATOM 824 CD GLU A 53 -1.078 0.134 8.656 1.00 0.84 C ATOM 825 OE1 GLU A 53 -0.920 -1.083 8.891 1.00 1.32 O ATOM 826 OE2 GLU A 53 -0.127 0.941 8.600 1.00 1.51 O ATOM 0 H GLU A 53 -4.517 -0.636 5.282 1.00 0.13 H new ATOM 0 HA GLU A 53 -5.203 -0.083 8.005 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -3.085 -1.125 7.410 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.667 0.208 6.353 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -2.445 1.721 8.241 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -3.064 0.510 9.346 1.00 0.24 H new ATOM 833 N ALA A 54 -5.019 2.379 5.940 1.00 0.16 N ATOM 834 CA ALA A 54 -5.152 3.819 5.809 1.00 0.18 C ATOM 835 C ALA A 54 -6.292 4.346 6.675 1.00 0.21 C ATOM 836 O ALA A 54 -6.126 5.323 7.405 1.00 0.30 O ATOM 837 CB ALA A 54 -5.389 4.186 4.355 1.00 0.24 C ATOM 0 H ALA A 54 -5.067 1.864 5.061 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.226 4.281 6.151 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.488 5.268 4.264 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.547 3.847 3.752 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -6.303 3.707 4.003 1.00 0.24 H new ATOM 843 N THR A 55 -7.437 3.702 6.602 1.00 0.25 N ATOM 844 CA THR A 55 -8.579 4.126 7.390 1.00 0.33 C ATOM 845 C THR A 55 -8.995 3.085 8.432 1.00 0.29 C ATOM 846 O THR A 55 -9.891 3.333 9.241 1.00 0.39 O ATOM 847 CB THR A 55 -9.753 4.457 6.466 1.00 0.51 C ATOM 848 OG1 THR A 55 -9.459 3.961 5.153 1.00 1.14 O ATOM 849 CG2 THR A 55 -9.992 5.957 6.400 1.00 1.66 C ATOM 0 H THR A 55 -7.604 2.888 6.010 1.00 0.25 H new ATOM 0 HA THR A 55 -8.282 5.019 7.940 1.00 0.33 H new ATOM 0 HB THR A 55 -10.655 3.987 6.859 1.00 0.51 H new ATOM 0 HG1 THR A 55 -8.776 4.526 4.735 1.00 1.14 H new ATOM 0 HG21 THR A 55 -10.832 6.163 5.736 1.00 1.66 H new ATOM 0 HG22 THR A 55 -10.217 6.334 7.398 1.00 1.66 H new ATOM 0 HG23 THR A 55 -9.099 6.451 6.019 1.00 1.66 H new ATOM 857 N GLY A 56 -8.341 1.925 8.426 1.00 0.25 N ATOM 858 CA GLY A 56 -8.699 0.876 9.367 1.00 0.26 C ATOM 859 C GLY A 56 -9.817 0.002 8.836 1.00 0.29 C ATOM 860 O GLY A 56 -10.527 -0.655 9.598 1.00 0.34 O ATOM 0 H GLY A 56 -7.576 1.694 7.792 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.824 0.260 9.575 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -9.006 1.324 10.312 1.00 0.26 H new ATOM 864 N VAL A 57 -9.970 0.009 7.525 1.00 0.30 N ATOM 865 CA VAL A 57 -11.113 -0.600 6.860 1.00 0.36 C ATOM 866 C VAL A 57 -10.857 -2.066 6.544 1.00 0.29 C ATOM 867 O VAL A 57 -9.770 -2.425 6.117 1.00 0.26 O ATOM 868 CB VAL A 57 -11.398 0.137 5.542 1.00 0.50 C ATOM 869 CG1 VAL A 57 -12.745 -0.253 4.973 1.00 1.62 C ATOM 870 CG2 VAL A 57 -11.316 1.629 5.745 1.00 1.33 C ATOM 0 H VAL A 57 -9.302 0.439 6.885 1.00 0.30 H new ATOM 0 HA VAL A 57 -11.965 -0.527 7.536 1.00 0.36 H new ATOM 0 HB VAL A 57 -10.636 -0.158 4.820 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -12.916 0.286 4.041 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -12.762 -1.326 4.780 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -13.529 -0.000 5.687 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -11.520 2.136 4.802 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -12.051 1.936 6.489 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -10.317 1.895 6.091 1.00 1.33 H new ATOM 880 N PRO A 58 -11.860 -2.930 6.750 1.00 0.32 N ATOM 881 CA PRO A 58 -11.784 -4.344 6.367 1.00 0.34 C ATOM 882 C PRO A 58 -11.771 -4.530 4.857 1.00 0.31 C ATOM 883 O PRO A 58 -12.327 -3.729 4.103 1.00 0.27 O ATOM 884 CB PRO A 58 -13.073 -4.931 6.929 1.00 0.39 C ATOM 885 CG PRO A 58 -14.003 -3.772 6.959 1.00 0.39 C ATOM 886 CD PRO A 58 -13.153 -2.610 7.375 1.00 0.37 C ATOM 0 HA PRO A 58 -10.872 -4.812 6.739 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -13.455 -5.735 6.300 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -12.922 -5.349 7.924 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -14.455 -3.602 5.982 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.819 -3.937 7.663 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.555 -1.663 7.016 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -13.073 -2.532 8.459 1.00 0.37 H new ATOM 894 N LEU A 59 -11.165 -5.639 4.451 1.00 0.35 N ATOM 895 CA LEU A 59 -10.999 -6.011 3.047 1.00 0.36 C ATOM 896 C LEU A 59 -12.287 -5.894 2.205 1.00 0.36 C ATOM 897 O LEU A 59 -12.217 -5.421 1.076 1.00 0.37 O ATOM 898 CB LEU A 59 -10.457 -7.440 2.953 1.00 0.45 C ATOM 899 CG LEU A 59 -9.128 -7.686 3.673 1.00 1.21 C ATOM 900 CD1 LEU A 59 -8.753 -9.158 3.613 1.00 1.79 C ATOM 901 CD2 LEU A 59 -8.022 -6.830 3.072 1.00 2.08 C ATOM 0 H LEU A 59 -10.767 -6.319 5.099 1.00 0.35 H new ATOM 0 HA LEU A 59 -10.293 -5.295 2.627 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -11.204 -8.121 3.361 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -10.334 -7.695 1.901 1.00 0.45 H new ATOM 0 HG LEU A 59 -9.250 -7.402 4.718 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -7.806 -9.314 4.130 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -9.531 -9.751 4.094 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -8.653 -9.466 2.572 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -7.087 -7.021 3.599 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -7.902 -7.079 2.018 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -8.284 -5.776 3.169 1.00 2.08 H new ATOM 913 N PRO A 60 -13.475 -6.338 2.699 1.00 0.38 N ATOM 914 CA PRO A 60 -14.713 -6.310 1.902 1.00 0.41 C ATOM 915 C PRO A 60 -15.229 -4.896 1.624 1.00 0.38 C ATOM 916 O PRO A 60 -16.023 -4.685 0.707 1.00 0.46 O ATOM 917 CB PRO A 60 -15.724 -7.084 2.758 1.00 0.47 C ATOM 918 CG PRO A 60 -14.902 -7.800 3.769 1.00 0.52 C ATOM 919 CD PRO A 60 -13.738 -6.901 4.034 1.00 0.42 C ATOM 0 HA PRO A 60 -14.546 -6.741 0.915 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -16.436 -6.410 3.234 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -16.302 -7.782 2.152 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -15.471 -7.986 4.680 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -14.574 -8.770 3.395 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -13.978 -6.127 4.763 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -12.879 -7.449 4.422 1.00 0.42 H new ATOM 927 N PHE A 61 -14.774 -3.929 2.411 1.00 0.33 N ATOM 928 CA PHE A 61 -15.289 -2.566 2.311 1.00 0.34 C ATOM 929 C PHE A 61 -14.522 -1.730 1.302 1.00 0.28 C ATOM 930 O PHE A 61 -15.026 -0.715 0.817 1.00 0.31 O ATOM 931 CB PHE A 61 -15.230 -1.882 3.667 1.00 0.37 C ATOM 932 CG PHE A 61 -16.477 -2.044 4.488 1.00 0.44 C ATOM 933 CD1 PHE A 61 -16.833 -3.285 4.989 1.00 0.45 C ATOM 934 CD2 PHE A 61 -17.293 -0.957 4.760 1.00 0.66 C ATOM 935 CE1 PHE A 61 -17.979 -3.440 5.744 1.00 0.56 C ATOM 936 CE2 PHE A 61 -18.440 -1.106 5.514 1.00 0.77 C ATOM 937 CZ PHE A 61 -18.782 -2.337 6.011 1.00 0.68 C ATOM 0 H PHE A 61 -14.054 -4.060 3.122 1.00 0.33 H new ATOM 0 HA PHE A 61 -16.321 -2.644 1.970 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.384 -2.281 4.227 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -15.041 -0.819 3.518 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -16.207 -4.142 4.787 1.00 0.45 H new ATOM 0 HD2 PHE A 61 -17.028 0.018 4.378 1.00 0.66 H new ATOM 0 HE1 PHE A 61 -18.250 -4.413 6.125 1.00 0.56 H new ATOM 0 HE2 PHE A 61 -19.069 -0.251 5.713 1.00 0.77 H new ATOM 0 HZ PHE A 61 -19.674 -2.450 6.609 1.00 0.68 H new ATOM 947 N GLN A 62 -13.316 -2.151 0.973 1.00 0.22 N ATOM 948 CA GLN A 62 -12.525 -1.418 0.009 1.00 0.19 C ATOM 949 C GLN A 62 -12.225 -2.276 -1.202 1.00 0.19 C ATOM 950 O GLN A 62 -11.967 -3.474 -1.091 1.00 0.33 O ATOM 951 CB GLN A 62 -11.206 -0.914 0.602 1.00 0.19 C ATOM 952 CG GLN A 62 -10.330 -2.000 1.188 1.00 0.25 C ATOM 953 CD GLN A 62 -9.954 -1.737 2.627 1.00 0.40 C ATOM 954 OE1 GLN A 62 -9.857 -0.590 3.055 1.00 0.96 O ATOM 955 NE2 GLN A 62 -9.730 -2.802 3.376 1.00 0.29 N ATOM 0 H GLN A 62 -12.869 -2.985 1.354 1.00 0.22 H new ATOM 0 HA GLN A 62 -13.120 -0.554 -0.286 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.647 -0.393 -0.176 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -11.427 -0.183 1.380 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.851 -2.955 1.122 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.423 -2.090 0.591 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -9.823 -3.736 2.976 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -9.464 -2.691 4.354 1.00 0.29 H new ATOM 964 N LYS A 63 -12.284 -1.665 -2.362 1.00 0.19 N ATOM 965 CA LYS A 63 -11.807 -2.304 -3.562 1.00 0.18 C ATOM 966 C LYS A 63 -10.483 -1.672 -3.941 1.00 0.13 C ATOM 967 O LYS A 63 -10.448 -0.667 -4.651 1.00 0.14 O ATOM 968 CB LYS A 63 -12.817 -2.154 -4.702 1.00 0.26 C ATOM 969 CG LYS A 63 -12.479 -2.986 -5.928 1.00 1.14 C ATOM 970 CD LYS A 63 -13.423 -2.692 -7.083 1.00 1.68 C ATOM 971 CE LYS A 63 -13.228 -3.681 -8.221 1.00 2.52 C ATOM 972 NZ LYS A 63 -13.603 -5.064 -7.821 1.00 3.15 N ATOM 0 H LYS A 63 -12.658 -0.726 -2.498 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.676 -3.371 -3.382 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -13.805 -2.439 -4.341 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.874 -1.104 -4.990 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -11.453 -2.782 -6.235 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -12.531 -4.045 -5.675 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -14.454 -2.736 -6.733 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -13.253 -1.678 -7.446 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -13.830 -3.374 -9.076 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -12.186 -3.665 -8.542 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -13.785 -5.634 -8.672 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -12.826 -5.491 -7.278 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -14.461 -5.035 -7.234 1.00 3.15 H new ATOM 986 N LEU A 64 -9.401 -2.255 -3.452 1.00 0.12 N ATOM 987 CA LEU A 64 -8.084 -1.704 -3.662 1.00 0.10 C ATOM 988 C LEU A 64 -7.620 -2.046 -5.047 1.00 0.12 C ATOM 989 O LEU A 64 -7.515 -3.225 -5.403 1.00 0.14 O ATOM 990 CB LEU A 64 -7.110 -2.259 -2.610 1.00 0.11 C ATOM 991 CG LEU A 64 -5.618 -1.991 -2.802 1.00 0.13 C ATOM 992 CD1 LEU A 64 -4.925 -2.392 -1.545 1.00 0.48 C ATOM 993 CD2 LEU A 64 -4.983 -2.747 -3.960 1.00 0.51 C ATOM 0 H LEU A 64 -9.416 -3.115 -2.904 1.00 0.12 H new ATOM 0 HA LEU A 64 -8.118 -0.620 -3.558 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.400 -1.855 -1.640 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -7.252 -3.339 -2.560 1.00 0.11 H new ATOM 0 HG LEU A 64 -5.512 -0.932 -3.036 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.855 -2.214 -1.647 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -5.313 -1.805 -0.712 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.100 -3.451 -1.355 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -3.924 -2.496 -4.021 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.093 -3.819 -3.798 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.476 -2.468 -4.891 1.00 0.51 H new ATOM 1005 N ILE A 65 -7.381 -0.996 -5.810 1.00 0.12 N ATOM 1006 CA ILE A 65 -6.805 -1.089 -7.128 1.00 0.14 C ATOM 1007 C ILE A 65 -5.619 -0.140 -7.233 1.00 0.15 C ATOM 1008 O ILE A 65 -5.784 1.084 -7.184 1.00 0.16 O ATOM 1009 CB ILE A 65 -7.850 -0.649 -8.154 1.00 0.16 C ATOM 1010 CG1 ILE A 65 -9.128 -1.488 -8.017 1.00 0.17 C ATOM 1011 CG2 ILE A 65 -7.293 -0.723 -9.570 1.00 0.20 C ATOM 1012 CD1 ILE A 65 -10.231 -1.089 -8.973 1.00 1.20 C ATOM 0 H ILE A 65 -7.587 -0.040 -5.521 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.485 -2.115 -7.311 1.00 0.14 H new ATOM 0 HB ILE A 65 -8.105 0.392 -7.954 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -8.881 -2.537 -8.181 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.498 -1.403 -6.995 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -8.057 -0.405 -10.279 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.425 -0.069 -9.654 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.997 -1.748 -9.792 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -11.099 -1.728 -8.814 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -10.508 -0.050 -8.796 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -9.881 -1.201 -9.999 1.00 1.20 H new ATOM 1024 N PHE A 66 -4.430 -0.696 -7.282 1.00 0.17 N ATOM 1025 CA PHE A 66 -3.237 0.051 -7.625 1.00 0.18 C ATOM 1026 C PHE A 66 -2.091 -0.893 -7.889 1.00 0.20 C ATOM 1027 O PHE A 66 -2.101 -2.005 -7.371 1.00 0.20 O ATOM 1028 CB PHE A 66 -2.876 1.128 -6.636 1.00 0.19 C ATOM 1029 CG PHE A 66 -2.841 2.493 -7.281 1.00 0.23 C ATOM 1030 CD1 PHE A 66 -2.365 2.644 -8.576 1.00 0.45 C ATOM 1031 CD2 PHE A 66 -3.291 3.616 -6.608 1.00 0.25 C ATOM 1032 CE1 PHE A 66 -2.334 3.887 -9.180 1.00 0.51 C ATOM 1033 CE2 PHE A 66 -3.260 4.861 -7.206 1.00 0.28 C ATOM 1034 CZ PHE A 66 -2.784 4.997 -8.495 1.00 0.36 C ATOM 0 H PHE A 66 -4.260 -1.682 -7.085 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.462 0.596 -8.542 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.599 1.130 -5.821 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.902 0.908 -6.198 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -2.014 1.779 -9.119 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -3.671 3.517 -5.602 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -1.958 3.989 -10.187 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -3.608 5.728 -6.665 1.00 0.28 H new ATOM 0 HZ PHE A 66 -2.764 5.969 -8.965 1.00 0.36 H new ATOM 1044 N LYS A 67 -1.173 -0.502 -8.762 1.00 0.22 N ATOM 1045 CA LYS A 67 0.043 -1.278 -9.052 1.00 0.25 C ATOM 1046 C LYS A 67 -0.295 -2.608 -9.699 1.00 0.28 C ATOM 1047 O LYS A 67 0.407 -3.602 -9.513 1.00 0.32 O ATOM 1048 CB LYS A 67 0.983 -1.498 -7.815 1.00 0.25 C ATOM 1049 CG LYS A 67 0.372 -1.499 -6.388 1.00 0.18 C ATOM 1050 CD LYS A 67 1.400 -1.992 -5.357 1.00 0.21 C ATOM 1051 CE LYS A 67 0.821 -2.156 -3.952 1.00 0.18 C ATOM 1052 NZ LYS A 67 1.858 -1.987 -2.885 1.00 0.19 N ATOM 0 H LYS A 67 -1.243 0.365 -9.295 1.00 0.22 H new ATOM 0 HA LYS A 67 0.608 -0.664 -9.753 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.491 -2.452 -7.955 1.00 0.25 H new ATOM 0 HB3 LYS A 67 1.749 -0.723 -7.843 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.042 -0.493 -6.128 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.510 -2.140 -6.365 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.806 -2.948 -5.688 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.232 -1.288 -5.319 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.026 -1.425 -3.802 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.368 -3.143 -3.861 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.660 -2.642 -2.102 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.798 -2.193 -3.279 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 1.837 -1.009 -2.532 1.00 0.19 H new ATOM 1066 N GLY A 68 -1.366 -2.604 -10.488 1.00 0.31 N ATOM 1067 CA GLY A 68 -1.849 -3.819 -11.117 1.00 0.38 C ATOM 1068 C GLY A 68 -2.291 -4.823 -10.087 1.00 0.38 C ATOM 1069 O GLY A 68 -2.531 -5.995 -10.385 1.00 0.47 O ATOM 0 H GLY A 68 -1.913 -1.770 -10.704 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.681 -3.583 -11.780 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -1.062 -4.250 -11.735 1.00 0.38 H new ATOM 1073 N LYS A 69 -2.391 -4.344 -8.869 1.00 0.30 N ATOM 1074 CA LYS A 69 -2.703 -5.177 -7.742 1.00 0.33 C ATOM 1075 C LYS A 69 -4.007 -4.766 -7.111 1.00 0.24 C ATOM 1076 O LYS A 69 -4.285 -3.585 -6.915 1.00 0.23 O ATOM 1077 CB LYS A 69 -1.568 -5.117 -6.728 1.00 0.41 C ATOM 1078 CG LYS A 69 -0.309 -5.769 -7.250 1.00 0.62 C ATOM 1079 CD LYS A 69 0.849 -5.649 -6.288 1.00 0.58 C ATOM 1080 CE LYS A 69 1.691 -6.908 -6.324 1.00 0.44 C ATOM 1081 NZ LYS A 69 1.849 -7.434 -7.704 1.00 1.21 N ATOM 0 H LYS A 69 -2.257 -3.360 -8.636 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.814 -6.205 -8.087 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.361 -4.077 -6.477 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -1.878 -5.611 -5.807 1.00 0.41 H new ATOM 0 HG2 LYS A 69 -0.505 -6.823 -7.447 1.00 0.62 H new ATOM 0 HG3 LYS A 69 -0.035 -5.312 -8.201 1.00 0.62 H new ATOM 0 HD2 LYS A 69 1.461 -4.786 -6.550 1.00 0.58 H new ATOM 0 HD3 LYS A 69 0.476 -5.481 -5.278 1.00 0.58 H new ATOM 0 HE2 LYS A 69 2.674 -6.699 -5.901 1.00 0.44 H new ATOM 0 HE3 LYS A 69 1.230 -7.670 -5.696 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 2.564 -8.190 -7.708 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 0.940 -7.815 -8.036 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 2.154 -6.666 -8.335 1.00 1.21 H new ATOM 1095 N SER A 70 -4.818 -5.751 -6.839 1.00 0.23 N ATOM 1096 CA SER A 70 -6.068 -5.537 -6.168 1.00 0.21 C ATOM 1097 C SER A 70 -6.067 -6.301 -4.858 1.00 0.23 C ATOM 1098 O SER A 70 -5.559 -7.420 -4.798 1.00 0.31 O ATOM 1099 CB SER A 70 -7.220 -5.989 -7.068 1.00 0.24 C ATOM 1100 OG SER A 70 -7.009 -7.316 -7.532 1.00 1.27 O ATOM 0 H SER A 70 -4.630 -6.725 -7.077 1.00 0.23 H new ATOM 0 HA SER A 70 -6.201 -4.477 -5.953 1.00 0.21 H new ATOM 0 HB2 SER A 70 -8.159 -5.937 -6.517 1.00 0.24 H new ATOM 0 HB3 SER A 70 -7.310 -5.312 -7.918 1.00 0.24 H new ATOM 0 HG SER A 70 -7.758 -7.585 -8.104 1.00 1.27 H new ATOM 1106 N LEU A 71 -6.629 -5.707 -3.814 1.00 0.19 N ATOM 1107 CA LEU A 71 -6.574 -6.338 -2.487 1.00 0.21 C ATOM 1108 C LEU A 71 -7.405 -7.606 -2.460 1.00 0.26 C ATOM 1109 O LEU A 71 -8.416 -7.709 -3.163 1.00 0.32 O ATOM 1110 CB LEU A 71 -7.059 -5.419 -1.362 1.00 0.23 C ATOM 1111 CG LEU A 71 -8.549 -5.516 -1.007 1.00 0.31 C ATOM 1112 CD1 LEU A 71 -8.837 -4.734 0.258 1.00 1.34 C ATOM 1113 CD2 LEU A 71 -9.427 -5.026 -2.147 1.00 1.21 C ATOM 0 H LEU A 71 -7.118 -4.812 -3.848 1.00 0.19 H new ATOM 0 HA LEU A 71 -5.522 -6.563 -2.312 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.478 -5.637 -0.466 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.839 -4.389 -1.642 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.786 -6.566 -0.837 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -9.897 -4.810 0.500 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -8.247 -5.141 1.080 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -8.574 -3.687 0.106 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -10.475 -5.109 -1.860 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -9.192 -3.984 -2.365 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -9.244 -5.633 -3.034 1.00 1.21 H new ATOM 1125 N LYS A 72 -6.982 -8.582 -1.674 1.00 0.34 N ATOM 1126 CA LYS A 72 -7.780 -9.772 -1.532 1.00 0.46 C ATOM 1127 C LYS A 72 -7.489 -10.545 -0.242 1.00 0.66 C ATOM 1128 O LYS A 72 -8.376 -10.733 0.590 1.00 1.33 O ATOM 1129 CB LYS A 72 -7.565 -10.698 -2.731 1.00 0.47 C ATOM 1130 CG LYS A 72 -8.791 -11.532 -3.067 1.00 0.87 C ATOM 1131 CD LYS A 72 -8.572 -12.389 -4.302 1.00 1.37 C ATOM 1132 CE LYS A 72 -9.819 -13.191 -4.645 1.00 2.01 C ATOM 1133 NZ LYS A 72 -9.632 -14.016 -5.868 1.00 2.72 N ATOM 0 H LYS A 72 -6.113 -8.570 -1.140 1.00 0.34 H new ATOM 0 HA LYS A 72 -8.817 -9.440 -1.485 1.00 0.46 H new ATOM 0 HB2 LYS A 72 -7.290 -10.100 -3.600 1.00 0.47 H new ATOM 0 HB3 LYS A 72 -6.726 -11.363 -2.524 1.00 0.47 H new ATOM 0 HG2 LYS A 72 -9.038 -12.172 -2.220 1.00 0.87 H new ATOM 0 HG3 LYS A 72 -9.645 -10.874 -3.229 1.00 0.87 H new ATOM 0 HD2 LYS A 72 -8.302 -11.753 -5.145 1.00 1.37 H new ATOM 0 HD3 LYS A 72 -7.735 -13.067 -4.133 1.00 1.37 H new ATOM 0 HE2 LYS A 72 -10.075 -13.839 -3.807 1.00 2.01 H new ATOM 0 HE3 LYS A 72 -10.658 -12.511 -4.791 1.00 2.01 H new ATOM 0 HZ1 LYS A 72 -10.505 -14.546 -6.066 1.00 2.72 H new ATOM 0 HZ2 LYS A 72 -9.413 -13.397 -6.674 1.00 2.72 H new ATOM 0 HZ3 LYS A 72 -8.848 -14.683 -5.720 1.00 2.72 H new ATOM 1147 N GLU A 73 -6.247 -10.983 -0.087 1.00 0.69 N ATOM 1148 CA GLU A 73 -5.879 -11.959 0.935 1.00 0.83 C ATOM 1149 C GLU A 73 -4.367 -12.171 0.898 1.00 0.82 C ATOM 1150 O GLU A 73 -3.629 -11.716 1.775 1.00 1.56 O ATOM 1151 CB GLU A 73 -6.601 -13.288 0.653 1.00 1.03 C ATOM 1152 CG GLU A 73 -6.330 -14.391 1.662 1.00 1.62 C ATOM 1153 CD GLU A 73 -6.980 -14.131 3.001 1.00 1.93 C ATOM 1154 OE1 GLU A 73 -8.222 -14.200 3.083 1.00 1.93 O ATOM 1155 OE2 GLU A 73 -6.255 -13.864 3.978 1.00 2.84 O ATOM 0 H GLU A 73 -5.465 -10.673 -0.665 1.00 0.69 H new ATOM 0 HA GLU A 73 -6.171 -11.596 1.920 1.00 0.83 H new ATOM 0 HB2 GLU A 73 -7.674 -13.101 0.620 1.00 1.03 H new ATOM 0 HB3 GLU A 73 -6.308 -13.641 -0.336 1.00 1.03 H new ATOM 0 HG2 GLU A 73 -6.694 -15.338 1.264 1.00 1.62 H new ATOM 0 HG3 GLU A 73 -5.254 -14.495 1.800 1.00 1.62 H new ATOM 1162 N MET A 74 -3.933 -12.869 -0.142 1.00 0.58 N ATOM 1163 CA MET A 74 -2.524 -13.036 -0.462 1.00 0.54 C ATOM 1164 C MET A 74 -2.370 -12.879 -1.970 1.00 0.47 C ATOM 1165 O MET A 74 -2.445 -13.842 -2.736 1.00 0.61 O ATOM 1166 CB MET A 74 -1.996 -14.392 0.032 1.00 0.62 C ATOM 1167 CG MET A 74 -2.833 -15.590 -0.394 1.00 1.44 C ATOM 1168 SD MET A 74 -2.235 -17.138 0.315 1.00 1.93 S ATOM 1169 CE MET A 74 -3.407 -18.300 -0.383 1.00 2.96 C ATOM 0 H MET A 74 -4.558 -13.341 -0.795 1.00 0.58 H new ATOM 0 HA MET A 74 -1.927 -12.280 0.048 1.00 0.54 H new ATOM 0 HB2 MET A 74 -0.979 -14.527 -0.335 1.00 0.62 H new ATOM 0 HB3 MET A 74 -1.942 -14.372 1.120 1.00 0.62 H new ATOM 0 HG2 MET A 74 -3.868 -15.432 -0.092 1.00 1.44 H new ATOM 0 HG3 MET A 74 -2.826 -15.666 -1.481 1.00 1.44 H new ATOM 0 HE1 MET A 74 -3.171 -19.307 -0.038 1.00 2.96 H new ATOM 0 HE2 MET A 74 -4.415 -18.035 -0.065 1.00 2.96 H new ATOM 0 HE3 MET A 74 -3.349 -18.266 -1.471 1.00 2.96 H new ATOM 1179 N GLU A 75 -2.199 -11.637 -2.375 1.00 0.35 N ATOM 1180 CA GLU A 75 -2.385 -11.213 -3.742 1.00 0.33 C ATOM 1181 C GLU A 75 -1.163 -11.474 -4.635 1.00 0.30 C ATOM 1182 O GLU A 75 -0.421 -12.439 -4.437 1.00 0.49 O ATOM 1183 CB GLU A 75 -2.746 -9.727 -3.720 1.00 0.38 C ATOM 1184 CG GLU A 75 -3.981 -9.391 -2.891 1.00 0.92 C ATOM 1185 CD GLU A 75 -3.711 -9.274 -1.401 1.00 1.67 C ATOM 1186 OE1 GLU A 75 -2.581 -9.544 -0.963 1.00 2.49 O ATOM 1187 OE2 GLU A 75 -4.646 -8.918 -0.664 1.00 2.03 O ATOM 0 H GLU A 75 -1.921 -10.882 -1.748 1.00 0.35 H new ATOM 0 HA GLU A 75 -3.187 -11.804 -4.185 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -1.897 -9.165 -3.330 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -2.908 -9.390 -4.744 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -4.401 -8.451 -3.249 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -4.736 -10.160 -3.054 1.00 0.92 H new ATOM 1194 N THR A 76 -0.983 -10.615 -5.631 1.00 0.27 N ATOM 1195 CA THR A 76 0.012 -10.829 -6.689 1.00 0.26 C ATOM 1196 C THR A 76 1.465 -10.562 -6.246 1.00 0.17 C ATOM 1197 O THR A 76 1.699 -9.802 -5.310 1.00 0.18 O ATOM 1198 CB THR A 76 -0.331 -9.999 -7.939 1.00 0.40 C ATOM 1199 OG1 THR A 76 -0.819 -8.710 -7.557 1.00 0.49 O ATOM 1200 CG2 THR A 76 -1.372 -10.713 -8.788 1.00 0.69 C ATOM 0 H THR A 76 -1.517 -9.752 -5.733 1.00 0.27 H new ATOM 0 HA THR A 76 -0.039 -11.891 -6.931 1.00 0.26 H new ATOM 0 HB THR A 76 0.578 -9.877 -8.529 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.474 -8.400 -8.217 1.00 0.49 H new ATOM 0 HG21 THR A 76 -1.601 -10.110 -9.667 1.00 0.69 H new ATOM 0 HG22 THR A 76 -0.982 -11.681 -9.104 1.00 0.69 H new ATOM 0 HG23 THR A 76 -2.280 -10.860 -8.203 1.00 0.69 H new ATOM 1208 N PRO A 77 2.442 -11.232 -6.913 1.00 0.19 N ATOM 1209 CA PRO A 77 3.888 -11.214 -6.603 1.00 0.18 C ATOM 1210 C PRO A 77 4.463 -9.978 -5.895 1.00 0.14 C ATOM 1211 O PRO A 77 4.150 -8.825 -6.208 1.00 0.16 O ATOM 1212 CB PRO A 77 4.496 -11.347 -7.980 1.00 0.30 C ATOM 1213 CG PRO A 77 3.585 -12.296 -8.685 1.00 0.36 C ATOM 1214 CD PRO A 77 2.208 -12.115 -8.075 1.00 0.28 C ATOM 0 HA PRO A 77 4.110 -11.993 -5.873 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.543 -10.385 -8.490 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.514 -11.732 -7.931 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.564 -12.089 -9.755 1.00 0.36 H new ATOM 0 HG3 PRO A 77 3.929 -13.323 -8.565 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.514 -11.665 -8.784 1.00 0.28 H new ATOM 0 HD3 PRO A 77 1.778 -13.069 -7.770 1.00 0.28 H new ATOM 1222 N LEU A 78 5.370 -10.289 -4.974 1.00 0.14 N ATOM 1223 CA LEU A 78 5.988 -9.342 -4.043 1.00 0.15 C ATOM 1224 C LEU A 78 6.931 -8.336 -4.710 1.00 0.16 C ATOM 1225 O LEU A 78 7.011 -7.188 -4.294 1.00 0.16 O ATOM 1226 CB LEU A 78 6.720 -10.114 -2.944 1.00 0.19 C ATOM 1227 CG LEU A 78 5.815 -10.985 -2.081 1.00 0.19 C ATOM 1228 CD1 LEU A 78 5.472 -12.291 -2.785 1.00 0.22 C ATOM 1229 CD2 LEU A 78 6.453 -11.266 -0.735 1.00 0.24 C ATOM 0 H LEU A 78 5.710 -11.243 -4.848 1.00 0.14 H new ATOM 0 HA LEU A 78 5.179 -8.747 -3.619 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.481 -10.745 -3.404 1.00 0.19 H new ATOM 0 HB3 LEU A 78 7.241 -9.403 -2.302 1.00 0.19 H new ATOM 0 HG LEU A 78 4.890 -10.433 -1.916 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.825 -12.891 -2.144 1.00 0.22 H new ATOM 0 HD12 LEU A 78 4.957 -12.075 -3.721 1.00 0.22 H new ATOM 0 HD13 LEU A 78 6.388 -12.843 -2.994 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.786 -11.889 -0.139 1.00 0.24 H new ATOM 0 HD22 LEU A 78 7.400 -11.785 -0.883 1.00 0.24 H new ATOM 0 HD23 LEU A 78 6.632 -10.326 -0.214 1.00 0.24 H new ATOM 1241 N SER A 79 7.679 -8.764 -5.707 1.00 0.18 N ATOM 1242 CA SER A 79 8.543 -7.842 -6.447 1.00 0.22 C ATOM 1243 C SER A 79 7.714 -6.717 -7.069 1.00 0.22 C ATOM 1244 O SER A 79 8.132 -5.561 -7.124 1.00 0.24 O ATOM 1245 CB SER A 79 9.336 -8.592 -7.519 1.00 0.27 C ATOM 1246 OG SER A 79 10.203 -9.546 -6.925 1.00 1.17 O ATOM 0 H SER A 79 7.713 -9.732 -6.027 1.00 0.18 H new ATOM 0 HA SER A 79 9.253 -7.397 -5.750 1.00 0.22 H new ATOM 0 HB2 SER A 79 8.650 -9.092 -8.203 1.00 0.27 H new ATOM 0 HB3 SER A 79 9.916 -7.884 -8.111 1.00 0.27 H new ATOM 0 HG SER A 79 10.798 -9.096 -6.290 1.00 1.17 H new ATOM 1252 N ALA A 80 6.530 -7.082 -7.527 1.00 0.20 N ATOM 1253 CA ALA A 80 5.581 -6.142 -8.105 1.00 0.22 C ATOM 1254 C ALA A 80 4.818 -5.371 -7.016 1.00 0.18 C ATOM 1255 O ALA A 80 3.940 -4.566 -7.317 1.00 0.19 O ATOM 1256 CB ALA A 80 4.623 -6.868 -9.034 1.00 0.27 C ATOM 0 H ALA A 80 6.196 -8.046 -7.509 1.00 0.20 H new ATOM 0 HA ALA A 80 6.140 -5.409 -8.687 1.00 0.22 H new ATOM 0 HB1 ALA A 80 3.918 -6.154 -9.460 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.186 -7.345 -9.836 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.077 -7.626 -8.473 1.00 0.27 H new ATOM 1262 N LEU A 81 5.136 -5.653 -5.753 1.00 0.14 N ATOM 1263 CA LEU A 81 4.366 -5.153 -4.616 1.00 0.13 C ATOM 1264 C LEU A 81 4.583 -3.654 -4.334 1.00 0.12 C ATOM 1265 O LEU A 81 4.225 -3.182 -3.261 1.00 0.11 O ATOM 1266 CB LEU A 81 4.693 -5.956 -3.353 1.00 0.13 C ATOM 1267 CG LEU A 81 3.491 -6.518 -2.599 1.00 0.15 C ATOM 1268 CD1 LEU A 81 2.422 -5.463 -2.398 1.00 0.16 C ATOM 1269 CD2 LEU A 81 2.929 -7.716 -3.331 1.00 0.19 C ATOM 0 H LEU A 81 5.933 -6.233 -5.490 1.00 0.14 H new ATOM 0 HA LEU A 81 3.318 -5.280 -4.889 1.00 0.13 H new ATOM 0 HB2 LEU A 81 5.345 -6.784 -3.630 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.259 -5.317 -2.674 1.00 0.13 H new ATOM 0 HG LEU A 81 3.829 -6.836 -1.613 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.580 -5.896 -1.858 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.833 -4.633 -1.823 1.00 0.16 H new ATOM 0 HD13 LEU A 81 2.082 -5.100 -3.368 1.00 0.16 H new ATOM 0 HD21 LEU A 81 2.072 -8.108 -2.783 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.615 -7.417 -4.331 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.695 -8.488 -3.407 1.00 0.19 H new ATOM 1281 N GLY A 82 5.122 -2.878 -5.272 1.00 0.12 N ATOM 1282 CA GLY A 82 5.343 -1.475 -4.956 1.00 0.12 C ATOM 1283 C GLY A 82 6.773 -1.122 -4.630 1.00 0.11 C ATOM 1284 O GLY A 82 6.998 -0.314 -3.729 1.00 0.12 O ATOM 0 H GLY A 82 5.400 -3.177 -6.207 1.00 0.12 H new ATOM 0 HA2 GLY A 82 5.017 -0.870 -5.802 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.713 -1.203 -4.109 1.00 0.12 H new ATOM 1288 N MET A 83 7.752 -1.719 -5.323 1.00 0.13 N ATOM 1289 CA MET A 83 9.140 -1.360 -5.051 1.00 0.15 C ATOM 1290 C MET A 83 9.429 0.072 -5.515 1.00 0.15 C ATOM 1291 O MET A 83 9.898 0.338 -6.625 1.00 0.19 O ATOM 1292 CB MET A 83 10.110 -2.355 -5.714 1.00 0.20 C ATOM 1293 CG MET A 83 9.896 -2.561 -7.203 1.00 0.49 C ATOM 1294 SD MET A 83 11.032 -3.778 -7.894 1.00 0.97 S ATOM 1295 CE MET A 83 10.474 -3.827 -9.592 1.00 1.79 C ATOM 0 H MET A 83 7.614 -2.424 -6.047 1.00 0.13 H new ATOM 0 HA MET A 83 9.295 -1.409 -3.973 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.130 -2.007 -5.553 1.00 0.20 H new ATOM 0 HB3 MET A 83 10.019 -3.318 -5.212 1.00 0.20 H new ATOM 0 HG2 MET A 83 8.870 -2.884 -7.379 1.00 0.49 H new ATOM 0 HG3 MET A 83 10.025 -1.611 -7.721 1.00 0.49 H new ATOM 0 HE1 MET A 83 11.080 -4.538 -10.154 1.00 1.79 H new ATOM 0 HE2 MET A 83 9.429 -4.137 -9.623 1.00 1.79 H new ATOM 0 HE3 MET A 83 10.572 -2.836 -10.036 1.00 1.79 H new ATOM 1305 N GLN A 84 9.101 0.966 -4.612 1.00 0.14 N ATOM 1306 CA GLN A 84 9.421 2.375 -4.614 1.00 0.15 C ATOM 1307 C GLN A 84 9.099 2.772 -3.204 1.00 0.16 C ATOM 1308 O GLN A 84 8.698 1.885 -2.461 1.00 0.16 O ATOM 1309 CB GLN A 84 8.608 3.162 -5.642 1.00 0.16 C ATOM 1310 CG GLN A 84 7.169 2.699 -5.782 1.00 0.61 C ATOM 1311 CD GLN A 84 6.518 3.210 -7.048 1.00 1.08 C ATOM 1312 OE1 GLN A 84 6.559 2.555 -8.084 1.00 1.79 O ATOM 1313 NE2 GLN A 84 5.914 4.382 -6.974 1.00 1.61 N ATOM 0 H GLN A 84 8.558 0.705 -3.789 1.00 0.14 H new ATOM 0 HA GLN A 84 10.452 2.583 -4.901 1.00 0.15 H new ATOM 0 HB2 GLN A 84 8.614 4.216 -5.364 1.00 0.16 H new ATOM 0 HB3 GLN A 84 9.099 3.086 -6.612 1.00 0.16 H new ATOM 0 HG2 GLN A 84 7.139 1.609 -5.776 1.00 0.61 H new ATOM 0 HG3 GLN A 84 6.596 3.039 -4.919 1.00 0.61 H new ATOM 0 HE21 GLN A 84 5.903 4.895 -6.093 1.00 1.61 H new ATOM 0 HE22 GLN A 84 5.459 4.774 -7.798 1.00 1.61 H new ATOM 1322 N ASN A 85 9.298 4.005 -2.756 1.00 0.17 N ATOM 1323 CA ASN A 85 8.722 4.308 -1.446 1.00 0.17 C ATOM 1324 C ASN A 85 7.242 3.983 -1.529 1.00 0.16 C ATOM 1325 O ASN A 85 6.504 4.657 -2.211 1.00 0.18 O ATOM 1326 CB ASN A 85 8.895 5.781 -0.995 1.00 0.19 C ATOM 1327 CG ASN A 85 8.308 6.818 -1.954 1.00 0.28 C ATOM 1328 OD1 ASN A 85 7.780 7.836 -1.525 1.00 1.22 O ATOM 1329 ND2 ASN A 85 8.398 6.579 -3.255 1.00 0.99 N ATOM 0 H ASN A 85 9.806 4.754 -3.227 1.00 0.17 H new ATOM 0 HA ASN A 85 9.252 3.712 -0.703 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.428 5.905 -0.018 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.958 5.985 -0.868 1.00 0.19 H new ATOM 0 HD21 ASN A 85 8.023 7.251 -3.924 1.00 0.99 H new ATOM 0 HD22 ASN A 85 8.843 5.723 -3.587 1.00 0.99 H new ATOM 1336 N GLY A 86 6.865 2.915 -0.850 1.00 0.15 N ATOM 1337 CA GLY A 86 5.489 2.491 -0.665 1.00 0.14 C ATOM 1338 C GLY A 86 4.635 2.254 -1.922 1.00 0.12 C ATOM 1339 O GLY A 86 3.697 1.456 -1.880 1.00 0.13 O ATOM 0 H GLY A 86 7.535 2.295 -0.395 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.498 1.566 -0.088 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.986 3.242 -0.056 1.00 0.14 H new ATOM 1343 N CYS A 87 4.946 2.920 -3.025 1.00 0.11 N ATOM 1344 CA CYS A 87 4.134 2.864 -4.234 1.00 0.12 C ATOM 1345 C CYS A 87 2.751 3.471 -3.978 1.00 0.12 C ATOM 1346 O CYS A 87 2.597 4.371 -3.155 1.00 0.17 O ATOM 1347 CB CYS A 87 4.002 1.424 -4.703 1.00 0.23 C ATOM 1348 SG CYS A 87 3.500 1.227 -6.433 1.00 0.94 S ATOM 0 H CYS A 87 5.770 3.516 -3.108 1.00 0.11 H new ATOM 0 HA CYS A 87 4.625 3.445 -5.015 1.00 0.12 H new ATOM 0 HB2 CYS A 87 4.958 0.921 -4.558 1.00 0.23 H new ATOM 0 HB3 CYS A 87 3.275 0.916 -4.069 1.00 0.23 H new ATOM 0 HG CYS A 87 4.500 0.769 -7.126 1.00 0.94 H new ATOM 1354 N ARG A 88 1.756 2.991 -4.703 1.00 0.12 N ATOM 1355 CA ARG A 88 0.414 3.534 -4.627 1.00 0.13 C ATOM 1356 C ARG A 88 -0.620 2.406 -4.564 1.00 0.12 C ATOM 1357 O ARG A 88 -0.399 1.334 -5.121 1.00 0.15 O ATOM 1358 CB ARG A 88 0.153 4.448 -5.834 1.00 0.19 C ATOM 1359 CG ARG A 88 0.516 3.830 -7.182 1.00 0.82 C ATOM 1360 CD ARG A 88 1.990 4.007 -7.536 1.00 0.41 C ATOM 1361 NE ARG A 88 2.291 5.351 -8.028 1.00 0.90 N ATOM 1362 CZ ARG A 88 2.950 5.588 -9.164 1.00 1.29 C ATOM 1363 NH1 ARG A 88 3.306 4.581 -9.952 1.00 1.26 N ATOM 1364 NH2 ARG A 88 3.224 6.834 -9.520 1.00 2.07 N ATOM 0 H ARG A 88 1.856 2.216 -5.359 1.00 0.12 H new ATOM 0 HA ARG A 88 0.322 4.124 -3.715 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.902 4.722 -5.846 1.00 0.19 H new ATOM 0 HB3 ARG A 88 0.720 5.370 -5.706 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.276 2.767 -7.166 1.00 0.82 H new ATOM 0 HG3 ARG A 88 -0.097 4.283 -7.961 1.00 0.82 H new ATOM 0 HD2 ARG A 88 2.599 3.801 -6.656 1.00 0.41 H new ATOM 0 HD3 ARG A 88 2.268 3.275 -8.294 1.00 0.41 H new ATOM 0 HE ARG A 88 1.981 6.149 -7.474 1.00 0.90 H new ATOM 0 HH11 ARG A 88 3.076 3.622 -9.690 1.00 1.26 H new ATOM 0 HH12 ARG A 88 3.810 4.766 -10.820 1.00 1.26 H new ATOM 0 HH21 ARG A 88 2.931 7.610 -8.926 1.00 2.07 H new ATOM 0 HH22 ARG A 88 3.728 7.017 -10.388 1.00 2.07 H new ATOM 1378 N VAL A 89 -1.713 2.653 -3.838 1.00 0.11 N ATOM 1379 CA VAL A 89 -2.853 1.732 -3.716 1.00 0.11 C ATOM 1380 C VAL A 89 -4.124 2.518 -3.441 1.00 0.11 C ATOM 1381 O VAL A 89 -4.234 3.191 -2.415 1.00 0.12 O ATOM 1382 CB VAL A 89 -2.671 0.693 -2.593 1.00 0.13 C ATOM 1383 CG1 VAL A 89 -1.883 -0.506 -3.081 1.00 0.20 C ATOM 1384 CG2 VAL A 89 -1.990 1.324 -1.394 1.00 0.18 C ATOM 0 H VAL A 89 -1.836 3.515 -3.307 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.918 1.195 -4.662 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.659 0.345 -2.291 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.770 -1.223 -2.268 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -2.413 -0.977 -3.909 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.899 -0.182 -3.418 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.869 0.577 -0.610 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.011 1.703 -1.689 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.600 2.147 -1.020 1.00 0.18 H new ATOM 1394 N MET A 90 -5.076 2.484 -4.353 1.00 0.11 N ATOM 1395 CA MET A 90 -6.320 3.183 -4.083 1.00 0.12 C ATOM 1396 C MET A 90 -7.512 2.266 -4.102 1.00 0.12 C ATOM 1397 O MET A 90 -7.680 1.444 -4.993 1.00 0.13 O ATOM 1398 CB MET A 90 -6.560 4.390 -4.971 1.00 0.16 C ATOM 1399 CG MET A 90 -7.531 4.156 -6.116 1.00 0.68 C ATOM 1400 SD MET A 90 -7.978 5.677 -6.982 1.00 1.30 S ATOM 1401 CE MET A 90 -6.412 6.130 -7.722 1.00 1.92 C ATOM 0 H MET A 90 -5.021 2.003 -5.251 1.00 0.11 H new ATOM 0 HA MET A 90 -6.198 3.565 -3.070 1.00 0.12 H new ATOM 0 HB2 MET A 90 -6.936 5.207 -4.356 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.605 4.715 -5.384 1.00 0.16 H new ATOM 0 HG2 MET A 90 -7.087 3.457 -6.825 1.00 0.68 H new ATOM 0 HG3 MET A 90 -8.435 3.686 -5.729 1.00 0.68 H new ATOM 0 HE1 MET A 90 -6.563 6.957 -8.416 1.00 1.92 H new ATOM 0 HE2 MET A 90 -5.715 6.435 -6.941 1.00 1.92 H new ATOM 0 HE3 MET A 90 -6.003 5.275 -8.260 1.00 1.92 H new ATOM 1411 N LEU A 91 -8.318 2.405 -3.090 1.00 0.12 N ATOM 1412 CA LEU A 91 -9.505 1.610 -2.959 1.00 0.12 C ATOM 1413 C LEU A 91 -10.724 2.435 -3.290 1.00 0.14 C ATOM 1414 O LEU A 91 -10.866 3.577 -2.845 1.00 0.15 O ATOM 1415 CB LEU A 91 -9.619 0.968 -1.566 1.00 0.11 C ATOM 1416 CG LEU A 91 -9.751 1.875 -0.318 1.00 0.12 C ATOM 1417 CD1 LEU A 91 -8.778 3.037 -0.331 1.00 0.15 C ATOM 1418 CD2 LEU A 91 -11.182 2.368 -0.130 1.00 0.14 C ATOM 0 H LEU A 91 -8.172 3.072 -2.332 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.439 0.789 -3.673 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.484 0.305 -1.581 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.739 0.340 -1.422 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.490 1.251 0.537 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -8.917 3.638 0.568 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.757 2.656 -0.359 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -8.960 3.654 -1.211 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.235 3.001 0.756 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.487 2.942 -1.005 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.848 1.514 -0.006 1.00 0.14 H new ATOM 1430 N ILE A 92 -11.585 1.883 -4.108 1.00 0.18 N ATOM 1431 CA ILE A 92 -12.816 2.552 -4.412 1.00 0.23 C ATOM 1432 C ILE A 92 -13.974 1.818 -3.775 1.00 0.23 C ATOM 1433 O ILE A 92 -14.303 0.691 -4.140 1.00 0.26 O ATOM 1434 CB ILE A 92 -13.037 2.696 -5.933 1.00 0.31 C ATOM 1435 CG1 ILE A 92 -11.875 3.474 -6.562 1.00 0.42 C ATOM 1436 CG2 ILE A 92 -14.363 3.388 -6.221 1.00 0.37 C ATOM 1437 CD1 ILE A 92 -11.981 3.628 -8.065 1.00 0.51 C ATOM 0 H ILE A 92 -11.455 0.982 -4.569 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.757 3.559 -3.999 1.00 0.23 H new ATOM 0 HB ILE A 92 -13.072 1.700 -6.376 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.825 4.464 -6.108 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.940 2.967 -6.324 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.499 3.479 -7.299 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -15.179 2.800 -5.801 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.361 4.380 -5.770 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -11.123 4.189 -8.435 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -11.999 2.643 -8.531 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -12.898 4.163 -8.312 1.00 0.51 H new ATOM 1449 N GLY A 93 -14.568 2.475 -2.810 1.00 0.24 N ATOM 1450 CA GLY A 93 -15.694 1.919 -2.104 1.00 0.28 C ATOM 1451 C GLY A 93 -15.947 2.672 -0.828 1.00 0.30 C ATOM 1452 O GLY A 93 -16.413 3.808 -0.855 1.00 0.45 O ATOM 0 H GLY A 93 -14.287 3.403 -2.494 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.581 1.957 -2.736 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.507 0.869 -1.881 1.00 0.28 H new ATOM 1456 N GLU A 94 -15.605 2.063 0.288 1.00 0.25 N ATOM 1457 CA GLU A 94 -15.775 2.702 1.573 1.00 0.26 C ATOM 1458 C GLU A 94 -14.503 2.623 2.396 1.00 0.24 C ATOM 1459 O GLU A 94 -14.080 1.541 2.789 1.00 0.35 O ATOM 1460 CB GLU A 94 -16.914 2.048 2.349 1.00 0.32 C ATOM 1461 CG GLU A 94 -18.292 2.320 1.779 1.00 0.98 C ATOM 1462 CD GLU A 94 -19.392 1.799 2.678 1.00 1.53 C ATOM 1463 OE1 GLU A 94 -19.690 2.464 3.696 1.00 2.17 O ATOM 1464 OE2 GLU A 94 -19.947 0.724 2.385 1.00 2.02 O ATOM 0 H GLU A 94 -15.207 1.125 0.330 1.00 0.25 H new ATOM 0 HA GLU A 94 -16.013 3.750 1.389 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -16.750 0.971 2.374 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.884 2.399 3.381 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -18.419 3.393 1.635 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -18.376 1.855 0.797 1.00 0.98 H new ATOM 1471 N LYS A 95 -13.893 3.767 2.648 1.00 0.25 N ATOM 1472 CA LYS A 95 -12.840 3.853 3.640 1.00 0.26 C ATOM 1473 C LYS A 95 -13.494 4.032 5.004 1.00 0.39 C ATOM 1474 O LYS A 95 -13.462 5.118 5.578 1.00 0.48 O ATOM 1475 CB LYS A 95 -11.875 5.014 3.359 1.00 0.28 C ATOM 1476 CG LYS A 95 -10.674 4.659 2.483 1.00 0.27 C ATOM 1477 CD LYS A 95 -9.660 5.793 2.466 1.00 0.55 C ATOM 1478 CE LYS A 95 -8.357 5.399 1.782 1.00 0.35 C ATOM 1479 NZ LYS A 95 -7.362 6.503 1.853 1.00 1.19 N ATOM 0 H LYS A 95 -14.109 4.647 2.180 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.248 2.939 3.609 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.430 5.820 2.879 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.510 5.401 4.310 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -10.203 3.750 2.856 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -11.009 4.450 1.467 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -10.090 6.653 1.953 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.450 6.104 3.489 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -7.949 4.506 2.256 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -8.551 5.146 0.740 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -6.544 6.272 1.253 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -7.798 7.386 1.519 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -7.047 6.624 2.837 1.00 1.19 H new ATOM 1493 N SER A 96 -14.121 2.961 5.482 1.00 0.46 N ATOM 1494 CA SER A 96 -14.839 2.964 6.751 1.00 0.65 C ATOM 1495 C SER A 96 -13.940 3.387 7.910 1.00 0.80 C ATOM 1496 O SER A 96 -13.224 2.571 8.490 1.00 0.99 O ATOM 1497 CB SER A 96 -15.424 1.572 7.024 1.00 0.74 C ATOM 1498 OG SER A 96 -16.215 1.561 8.202 1.00 1.30 O ATOM 0 H SER A 96 -14.145 2.064 4.998 1.00 0.46 H new ATOM 0 HA SER A 96 -15.646 3.693 6.674 1.00 0.65 H new ATOM 0 HB2 SER A 96 -16.031 1.258 6.174 1.00 0.74 H new ATOM 0 HB3 SER A 96 -14.614 0.849 7.122 1.00 0.74 H new ATOM 0 HG SER A 96 -16.574 0.661 8.347 1.00 1.30 H new ATOM 1504 N ASN A 97 -13.982 4.669 8.226 1.00 1.03 N ATOM 1505 CA ASN A 97 -13.264 5.206 9.366 1.00 1.27 C ATOM 1506 C ASN A 97 -14.205 5.351 10.555 1.00 1.85 C ATOM 1507 O ASN A 97 -14.959 6.339 10.608 1.00 2.21 O ATOM 1508 CB ASN A 97 -12.582 6.545 9.017 1.00 1.62 C ATOM 1509 CG ASN A 97 -13.394 7.454 8.095 1.00 1.97 C ATOM 1510 OD1 ASN A 97 -12.827 8.165 7.267 1.00 2.51 O ATOM 1511 ND2 ASN A 97 -14.708 7.473 8.251 1.00 2.63 N ATOM 1512 OXT ASN A 97 -14.217 4.451 11.413 1.00 2.58 O ATOM 0 H ASN A 97 -14.513 5.364 7.701 1.00 1.03 H new ATOM 0 HA ASN A 97 -12.473 4.507 9.639 1.00 1.27 H new ATOM 0 HB2 ASN A 97 -12.372 7.082 9.942 1.00 1.62 H new ATOM 0 HB3 ASN A 97 -11.622 6.336 8.545 1.00 1.62 H new ATOM 0 HD21 ASN A 97 -15.281 8.090 7.675 1.00 2.63 H new ATOM 0 HD22 ASN A 97 -15.148 6.871 8.947 1.00 2.63 H new TER 1519 ASN A 97