USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=23 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 84 GLN : amide:sc= -2.41! K(o=-2.7!,f=-0.35) USER MOD Set 1.2: A 87 CYS SG : rot 120:sc= -0.329 USER MOD Set 2.1: A 69 LYS NZ :NH3+ -164:sc= 1.05 (180deg=0.164) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0.00164 USER MOD Set 3.1: A 55 THR OG1 : rot 157:sc= -0.306 USER MOD Set 3.2: A 95 LYS NZ :NH3+ -160:sc= -4.32! (180deg=-4.35!) USER MOD Set 4.1: A 10 THR OG1 : rot 180:sc= -2.15! USER MOD Set 4.2: A 19 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 7 MET CE :methyl 173:sc= 0 (180deg=-0.101) USER MOD Set 5.2: A 39 ASN : amide:sc= -0.2 K(o=1,f=-8.7!) USER MOD Set 5.3: A 40 SER OG : rot 61:sc= 1.2 USER MOD Set 6.1: A 3 LYS NZ :NH3+ -128:sc= -0.562 (180deg=-4.51!) USER MOD Set 6.2: A 85 ASN : amide:sc= -8.27! K(o=-8.8!,f=-10) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 92:sc= 0.033 USER MOD Single : A 9 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.27) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 142:sc= -0.196 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.694 USER MOD Single : A 24 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.12) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.32) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -157:sc= -0.416 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 37 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.14) USER MOD Single : A 45 GLN : amide:sc= -0.684 K(o=-0.68,f=-1.5!) USER MOD Single : A 49 GLN : amide:sc= -2.97! K(o=-3!,f=-0.022) USER MOD Single : A 62 GLN : amide:sc= -7.38! C(o=-7.4!,f=-11!) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= -0.065 (180deg=-0.363) USER MOD Single : A 67 LYS NZ :NH3+ -142:sc= 2.43 (180deg=0.592) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.21) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -143:sc= -0.105 (180deg=-0.923) USER MOD Single : A 96 SER OG : rot 129:sc= -0.0732 USER MOD Single : A 97 ASN : amide:sc= -0.0707 X(o=-0.071,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.204 12.970 -8.504 1.00 4.19 N ATOM 2 CA MET A 1 5.461 12.339 -9.820 1.00 3.57 C ATOM 3 C MET A 1 6.297 11.074 -9.668 1.00 2.58 C ATOM 4 O MET A 1 5.764 9.970 -9.554 1.00 2.86 O ATOM 5 CB MET A 1 6.181 13.307 -10.766 1.00 4.32 C ATOM 6 CG MET A 1 5.325 14.464 -11.255 1.00 5.05 C ATOM 7 SD MET A 1 6.214 15.532 -12.407 1.00 6.03 S ATOM 8 CE MET A 1 4.941 16.728 -12.808 1.00 6.63 C ATOM 0 H1 MET A 1 4.633 13.829 -8.636 1.00 4.19 H new ATOM 0 H2 MET A 1 4.690 12.303 -7.894 1.00 4.19 H new ATOM 0 H3 MET A 1 6.109 13.221 -8.057 1.00 4.19 H new ATOM 0 HA MET A 1 4.492 12.078 -10.245 1.00 3.57 H new ATOM 0 HB2 MET A 1 7.056 13.709 -10.256 1.00 4.32 H new ATOM 0 HB3 MET A 1 6.543 12.749 -11.630 1.00 4.32 H new ATOM 0 HG2 MET A 1 4.432 14.072 -11.741 1.00 5.05 H new ATOM 0 HG3 MET A 1 4.991 15.053 -10.401 1.00 5.05 H new ATOM 0 HE1 MET A 1 5.337 17.459 -13.513 1.00 6.63 H new ATOM 0 HE2 MET A 1 4.089 16.216 -13.256 1.00 6.63 H new ATOM 0 HE3 MET A 1 4.621 17.237 -11.899 1.00 6.63 H new ATOM 20 N ALA A 2 7.615 11.245 -9.636 1.00 2.10 N ATOM 21 CA ALA A 2 8.535 10.120 -9.623 1.00 1.89 C ATOM 22 C ALA A 2 8.829 9.662 -8.204 1.00 1.69 C ATOM 23 O ALA A 2 9.886 9.962 -7.650 1.00 2.38 O ATOM 24 CB ALA A 2 9.825 10.489 -10.340 1.00 2.89 C ATOM 0 H ALA A 2 8.069 12.158 -9.619 1.00 2.10 H new ATOM 0 HA ALA A 2 8.062 9.291 -10.149 1.00 1.89 H new ATOM 0 HB1 ALA A 2 10.506 9.638 -10.324 1.00 2.89 H new ATOM 0 HB2 ALA A 2 9.603 10.757 -11.373 1.00 2.89 H new ATOM 0 HB3 ALA A 2 10.291 11.337 -9.838 1.00 2.89 H new ATOM 30 N LYS A 3 7.893 8.932 -7.615 1.00 1.22 N ATOM 31 CA LYS A 3 8.098 8.387 -6.283 1.00 0.97 C ATOM 32 C LYS A 3 8.902 7.091 -6.376 1.00 1.06 C ATOM 33 O LYS A 3 9.338 6.537 -5.365 1.00 1.96 O ATOM 34 CB LYS A 3 6.758 8.131 -5.583 1.00 0.75 C ATOM 35 CG LYS A 3 6.192 6.747 -5.840 1.00 0.46 C ATOM 36 CD LYS A 3 4.892 6.475 -5.084 1.00 0.42 C ATOM 37 CE LYS A 3 4.993 6.776 -3.592 1.00 0.29 C ATOM 38 NZ LYS A 3 4.759 8.208 -3.244 1.00 0.44 N ATOM 0 H LYS A 3 6.992 8.705 -8.035 1.00 1.22 H new ATOM 0 HA LYS A 3 8.653 9.115 -5.691 1.00 0.97 H new ATOM 0 HB2 LYS A 3 6.887 8.268 -4.509 1.00 0.75 H new ATOM 0 HB3 LYS A 3 6.036 8.877 -5.915 1.00 0.75 H new ATOM 0 HG2 LYS A 3 6.014 6.628 -6.909 1.00 0.46 H new ATOM 0 HG3 LYS A 3 6.933 6.000 -5.555 1.00 0.46 H new ATOM 0 HD2 LYS A 3 4.094 7.078 -5.517 1.00 0.42 H new ATOM 0 HD3 LYS A 3 4.612 5.430 -5.220 1.00 0.42 H new ATOM 0 HE2 LYS A 3 4.269 6.160 -3.058 1.00 0.29 H new ATOM 0 HE3 LYS A 3 5.982 6.484 -3.239 1.00 0.29 H new ATOM 0 HZ1 LYS A 3 5.546 8.556 -2.659 1.00 0.44 H new ATOM 0 HZ2 LYS A 3 4.700 8.772 -4.116 1.00 0.44 H new ATOM 0 HZ3 LYS A 3 3.869 8.295 -2.714 1.00 0.44 H new ATOM 52 N THR A 4 9.059 6.605 -7.604 1.00 0.55 N ATOM 53 CA THR A 4 9.848 5.413 -7.876 1.00 0.59 C ATOM 54 C THR A 4 11.254 5.563 -7.300 1.00 0.59 C ATOM 55 O THR A 4 11.650 4.828 -6.393 1.00 0.84 O ATOM 56 CB THR A 4 9.948 5.162 -9.391 1.00 0.79 C ATOM 57 OG1 THR A 4 8.693 5.458 -10.018 1.00 1.37 O ATOM 58 CG2 THR A 4 10.330 3.718 -9.673 1.00 1.30 C ATOM 0 H THR A 4 8.643 7.027 -8.435 1.00 0.55 H new ATOM 0 HA THR A 4 9.350 4.566 -7.404 1.00 0.59 H new ATOM 0 HB THR A 4 10.722 5.814 -9.797 1.00 0.79 H new ATOM 0 HG1 THR A 4 8.688 6.392 -10.315 1.00 1.37 H new ATOM 0 HG21 THR A 4 10.395 3.563 -10.750 1.00 1.30 H new ATOM 0 HG22 THR A 4 11.296 3.501 -9.216 1.00 1.30 H new ATOM 0 HG23 THR A 4 9.574 3.053 -9.256 1.00 1.30 H new ATOM 66 N GLU A 5 11.993 6.538 -7.817 1.00 0.65 N ATOM 67 CA GLU A 5 13.320 6.829 -7.310 1.00 0.77 C ATOM 68 C GLU A 5 13.203 7.691 -6.057 1.00 0.71 C ATOM 69 O GLU A 5 13.171 8.919 -6.127 1.00 1.25 O ATOM 70 CB GLU A 5 14.171 7.528 -8.376 1.00 1.05 C ATOM 71 CG GLU A 5 15.618 7.742 -7.954 1.00 1.70 C ATOM 72 CD GLU A 5 16.314 6.448 -7.584 1.00 2.55 C ATOM 73 OE1 GLU A 5 16.125 5.966 -6.446 1.00 3.43 O ATOM 74 OE2 GLU A 5 17.045 5.900 -8.432 1.00 2.70 O ATOM 0 H GLU A 5 11.692 7.137 -8.586 1.00 0.65 H new ATOM 0 HA GLU A 5 13.818 5.893 -7.055 1.00 0.77 H new ATOM 0 HB2 GLU A 5 14.152 6.936 -9.291 1.00 1.05 H new ATOM 0 HB3 GLU A 5 13.723 8.493 -8.612 1.00 1.05 H new ATOM 0 HG2 GLU A 5 16.162 8.224 -8.766 1.00 1.70 H new ATOM 0 HG3 GLU A 5 15.648 8.423 -7.103 1.00 1.70 H new ATOM 81 N GLU A 6 13.111 7.024 -4.923 1.00 0.58 N ATOM 82 CA GLU A 6 12.899 7.679 -3.641 1.00 0.45 C ATOM 83 C GLU A 6 13.337 6.752 -2.544 1.00 0.38 C ATOM 84 O GLU A 6 14.496 6.710 -2.137 1.00 0.44 O ATOM 85 CB GLU A 6 11.411 7.921 -3.415 1.00 0.45 C ATOM 86 CG GLU A 6 11.037 9.313 -2.948 1.00 0.66 C ATOM 87 CD GLU A 6 11.579 9.617 -1.572 1.00 1.75 C ATOM 88 OE1 GLU A 6 11.204 8.902 -0.618 1.00 2.53 O ATOM 89 OE2 GLU A 6 12.377 10.569 -1.441 1.00 2.17 O ATOM 0 H GLU A 6 13.181 6.008 -4.862 1.00 0.58 H new ATOM 0 HA GLU A 6 13.455 8.617 -3.639 1.00 0.45 H new ATOM 0 HB2 GLU A 6 10.882 7.715 -4.346 1.00 0.45 H new ATOM 0 HB3 GLU A 6 11.052 7.202 -2.679 1.00 0.45 H new ATOM 0 HG2 GLU A 6 11.419 10.047 -3.657 1.00 0.66 H new ATOM 0 HG3 GLU A 6 9.952 9.412 -2.939 1.00 0.66 H new ATOM 96 N MET A 7 12.351 5.979 -2.123 1.00 0.32 N ATOM 97 CA MET A 7 12.497 5.000 -1.065 1.00 0.29 C ATOM 98 C MET A 7 13.031 5.620 0.220 1.00 0.34 C ATOM 99 O MET A 7 13.999 5.126 0.778 1.00 0.70 O ATOM 100 CB MET A 7 13.388 3.834 -1.517 1.00 0.35 C ATOM 101 CG MET A 7 12.639 2.780 -2.309 1.00 0.30 C ATOM 102 SD MET A 7 13.725 1.753 -3.319 1.00 0.45 S ATOM 103 CE MET A 7 14.782 1.041 -2.060 1.00 1.60 C ATOM 0 H MET A 7 11.410 6.016 -2.515 1.00 0.32 H new ATOM 0 HA MET A 7 11.502 4.612 -0.848 1.00 0.29 H new ATOM 0 HB2 MET A 7 14.204 4.224 -2.125 1.00 0.35 H new ATOM 0 HB3 MET A 7 13.838 3.368 -0.640 1.00 0.35 H new ATOM 0 HG2 MET A 7 12.083 2.144 -1.621 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.908 3.269 -2.953 1.00 0.30 H new ATOM 0 HE1 MET A 7 15.427 0.287 -2.511 1.00 1.60 H new ATOM 0 HE2 MET A 7 15.395 1.824 -1.614 1.00 1.60 H new ATOM 0 HE3 MET A 7 14.167 0.578 -1.288 1.00 1.60 H new ATOM 113 N VAL A 8 12.416 6.726 0.655 1.00 0.31 N ATOM 114 CA VAL A 8 12.682 7.303 1.978 1.00 0.30 C ATOM 115 C VAL A 8 11.573 8.281 2.405 1.00 0.31 C ATOM 116 O VAL A 8 11.830 9.470 2.596 1.00 0.46 O ATOM 117 CB VAL A 8 14.041 8.058 2.062 1.00 0.39 C ATOM 118 CG1 VAL A 8 15.172 7.138 2.501 1.00 1.50 C ATOM 119 CG2 VAL A 8 14.384 8.725 0.735 1.00 1.12 C ATOM 0 H VAL A 8 11.727 7.241 0.107 1.00 0.31 H new ATOM 0 HA VAL A 8 12.716 6.446 2.650 1.00 0.30 H new ATOM 0 HB VAL A 8 13.928 8.834 2.819 1.00 0.39 H new ATOM 0 HG11 VAL A 8 16.103 7.703 2.547 1.00 1.50 H new ATOM 0 HG12 VAL A 8 14.947 6.729 3.486 1.00 1.50 H new ATOM 0 HG13 VAL A 8 15.277 6.323 1.785 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.338 9.244 0.825 1.00 1.12 H new ATOM 0 HG22 VAL A 8 14.455 7.967 -0.045 1.00 1.12 H new ATOM 0 HG23 VAL A 8 13.604 9.441 0.475 1.00 1.12 H new ATOM 129 N GLN A 9 10.345 7.787 2.576 1.00 0.23 N ATOM 130 CA GLN A 9 9.263 8.627 3.087 1.00 0.24 C ATOM 131 C GLN A 9 8.852 8.227 4.514 1.00 0.26 C ATOM 132 O GLN A 9 8.853 9.063 5.417 1.00 0.38 O ATOM 133 CB GLN A 9 8.053 8.588 2.154 1.00 0.26 C ATOM 134 CG GLN A 9 8.256 9.325 0.838 1.00 0.31 C ATOM 135 CD GLN A 9 8.601 10.788 1.027 1.00 1.15 C ATOM 136 OE1 GLN A 9 7.717 11.639 1.144 1.00 1.97 O ATOM 137 NE2 GLN A 9 9.885 11.096 1.030 1.00 1.86 N ATOM 0 H GLN A 9 10.078 6.824 2.371 1.00 0.23 H new ATOM 0 HA GLN A 9 9.642 9.648 3.125 1.00 0.24 H new ATOM 0 HB2 GLN A 9 7.806 7.548 1.941 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.196 9.020 2.671 1.00 0.26 H new ATOM 0 HG2 GLN A 9 9.053 8.839 0.275 1.00 0.31 H new ATOM 0 HG3 GLN A 9 7.348 9.246 0.240 1.00 0.31 H new ATOM 0 HE21 GLN A 9 10.586 10.362 0.931 1.00 1.86 H new ATOM 0 HE22 GLN A 9 10.176 12.068 1.132 1.00 1.86 H new ATOM 146 N THR A 10 8.502 6.958 4.721 1.00 0.21 N ATOM 147 CA THR A 10 8.089 6.479 6.047 1.00 0.21 C ATOM 148 C THR A 10 8.847 5.209 6.433 1.00 0.21 C ATOM 149 O THR A 10 8.615 4.142 5.863 1.00 0.21 O ATOM 150 CB THR A 10 6.577 6.185 6.086 1.00 0.23 C ATOM 151 OG1 THR A 10 5.847 7.334 5.638 1.00 0.26 O ATOM 152 CG2 THR A 10 6.122 5.820 7.491 1.00 0.28 C ATOM 0 H THR A 10 8.495 6.243 3.993 1.00 0.21 H new ATOM 0 HA THR A 10 8.322 7.271 6.759 1.00 0.21 H new ATOM 0 HB THR A 10 6.383 5.339 5.427 1.00 0.23 H new ATOM 0 HG1 THR A 10 4.886 7.141 5.663 1.00 0.26 H new ATOM 0 HG21 THR A 10 5.051 5.618 7.486 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.657 4.932 7.827 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.332 6.648 8.168 1.00 0.28 H new ATOM 160 N GLU A 11 9.757 5.326 7.389 1.00 0.25 N ATOM 161 CA GLU A 11 10.609 4.206 7.773 1.00 0.28 C ATOM 162 C GLU A 11 10.086 3.491 9.018 1.00 0.25 C ATOM 163 O GLU A 11 9.499 4.102 9.909 1.00 0.40 O ATOM 164 CB GLU A 11 12.049 4.691 7.993 1.00 0.45 C ATOM 165 CG GLU A 11 12.992 3.636 8.548 1.00 0.47 C ATOM 166 CD GLU A 11 14.274 4.228 9.094 1.00 0.70 C ATOM 167 OE1 GLU A 11 15.174 4.564 8.296 1.00 1.15 O ATOM 168 OE2 GLU A 11 14.389 4.363 10.333 1.00 1.50 O ATOM 0 H GLU A 11 9.926 6.184 7.914 1.00 0.25 H new ATOM 0 HA GLU A 11 10.595 3.483 6.957 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.446 5.052 7.044 1.00 0.45 H new ATOM 0 HB3 GLU A 11 12.032 5.541 8.676 1.00 0.45 H new ATOM 0 HG2 GLU A 11 12.486 3.083 9.339 1.00 0.47 H new ATOM 0 HG3 GLU A 11 13.233 2.920 7.762 1.00 0.47 H new ATOM 175 N GLU A 12 10.297 2.184 9.038 1.00 0.31 N ATOM 176 CA GLU A 12 9.937 1.330 10.155 1.00 0.31 C ATOM 177 C GLU A 12 11.117 0.390 10.418 1.00 0.33 C ATOM 178 O GLU A 12 12.258 0.760 10.142 1.00 0.50 O ATOM 179 CB GLU A 12 8.663 0.545 9.828 1.00 0.38 C ATOM 180 CG GLU A 12 7.950 -0.009 11.049 1.00 0.56 C ATOM 181 CD GLU A 12 7.606 -1.471 10.893 1.00 0.89 C ATOM 182 OE1 GLU A 12 8.544 -2.296 10.884 1.00 1.37 O ATOM 183 OE2 GLU A 12 6.410 -1.799 10.774 1.00 1.56 O ATOM 0 H GLU A 12 10.731 1.680 8.264 1.00 0.31 H new ATOM 0 HA GLU A 12 9.732 1.922 11.047 1.00 0.31 H new ATOM 0 HB2 GLU A 12 7.978 1.194 9.283 1.00 0.38 H new ATOM 0 HB3 GLU A 12 8.917 -0.280 9.163 1.00 0.38 H new ATOM 0 HG2 GLU A 12 8.582 0.122 11.927 1.00 0.56 H new ATOM 0 HG3 GLU A 12 7.037 0.561 11.225 1.00 0.56 H new ATOM 190 N MET A 13 10.869 -0.812 10.929 1.00 0.38 N ATOM 191 CA MET A 13 11.969 -1.699 11.283 1.00 0.46 C ATOM 192 C MET A 13 12.617 -2.341 10.054 1.00 0.40 C ATOM 193 O MET A 13 13.843 -2.434 9.986 1.00 0.49 O ATOM 194 CB MET A 13 11.501 -2.790 12.250 1.00 0.61 C ATOM 195 CG MET A 13 10.968 -2.249 13.568 1.00 0.92 C ATOM 196 SD MET A 13 10.689 -3.547 14.790 1.00 1.76 S ATOM 197 CE MET A 13 9.954 -2.603 16.125 1.00 2.64 C ATOM 0 H MET A 13 9.937 -1.187 11.104 1.00 0.38 H new ATOM 0 HA MET A 13 12.722 -1.081 11.773 1.00 0.46 H new ATOM 0 HB2 MET A 13 10.722 -3.381 11.768 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.333 -3.464 12.454 1.00 0.61 H new ATOM 0 HG2 MET A 13 11.674 -1.522 13.970 1.00 0.92 H new ATOM 0 HG3 MET A 13 10.033 -1.719 13.387 1.00 0.92 H new ATOM 0 HE1 MET A 13 9.724 -3.268 16.957 1.00 2.64 H new ATOM 0 HE2 MET A 13 10.654 -1.836 16.456 1.00 2.64 H new ATOM 0 HE3 MET A 13 9.037 -2.130 15.774 1.00 2.64 H new ATOM 207 N GLU A 14 11.820 -2.790 9.081 1.00 0.30 N ATOM 208 CA GLU A 14 12.401 -3.377 7.871 1.00 0.28 C ATOM 209 C GLU A 14 12.206 -2.484 6.651 1.00 0.31 C ATOM 210 O GLU A 14 12.909 -2.627 5.661 1.00 0.61 O ATOM 211 CB GLU A 14 11.808 -4.757 7.586 1.00 0.33 C ATOM 212 CG GLU A 14 12.501 -5.504 6.448 1.00 0.45 C ATOM 213 CD GLU A 14 13.916 -5.919 6.799 1.00 0.86 C ATOM 214 OE1 GLU A 14 14.842 -5.112 6.573 1.00 1.19 O ATOM 215 OE2 GLU A 14 14.108 -7.042 7.304 1.00 1.33 O ATOM 0 H GLU A 14 10.801 -2.761 9.103 1.00 0.30 H new ATOM 0 HA GLU A 14 13.470 -3.475 8.059 1.00 0.28 H new ATOM 0 HB2 GLU A 14 11.865 -5.361 8.492 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.751 -4.645 7.344 1.00 0.33 H new ATOM 0 HG2 GLU A 14 11.919 -6.390 6.193 1.00 0.45 H new ATOM 0 HG3 GLU A 14 12.522 -4.870 5.562 1.00 0.45 H new ATOM 222 N THR A 15 11.269 -1.554 6.721 1.00 0.20 N ATOM 223 CA THR A 15 10.958 -0.730 5.563 1.00 0.18 C ATOM 224 C THR A 15 12.089 0.240 5.296 1.00 0.21 C ATOM 225 O THR A 15 12.710 0.755 6.228 1.00 0.30 O ATOM 226 CB THR A 15 9.641 0.045 5.749 1.00 0.23 C ATOM 227 OG1 THR A 15 9.781 1.011 6.783 1.00 1.04 O ATOM 228 CG2 THR A 15 8.517 -0.906 6.104 1.00 0.90 C ATOM 0 H THR A 15 10.717 -1.351 7.554 1.00 0.20 H new ATOM 0 HA THR A 15 10.836 -1.396 4.709 1.00 0.18 H new ATOM 0 HB THR A 15 9.405 0.549 4.812 1.00 0.23 H new ATOM 0 HG1 THR A 15 9.297 1.827 6.537 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.592 -0.344 6.233 1.00 0.90 H new ATOM 0 HG22 THR A 15 8.391 -1.635 5.303 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.758 -1.424 7.032 1.00 0.90 H new ATOM 236 N PRO A 16 12.374 0.515 4.021 1.00 0.21 N ATOM 237 CA PRO A 16 13.447 1.398 3.643 1.00 0.24 C ATOM 238 C PRO A 16 12.930 2.807 3.595 1.00 0.21 C ATOM 239 O PRO A 16 13.263 3.579 2.709 1.00 0.22 O ATOM 240 CB PRO A 16 13.843 0.890 2.259 1.00 0.28 C ATOM 241 CG PRO A 16 12.612 0.246 1.701 1.00 0.26 C ATOM 242 CD PRO A 16 11.628 0.056 2.842 1.00 0.19 C ATOM 0 HA PRO A 16 14.292 1.406 4.331 1.00 0.24 H new ATOM 0 HB2 PRO A 16 14.181 1.708 1.623 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.664 0.176 2.323 1.00 0.28 H new ATOM 0 HG2 PRO A 16 12.176 0.869 0.920 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.856 -0.713 1.244 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.720 0.640 2.690 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.324 -0.986 2.940 1.00 0.19 H new ATOM 250 N ARG A 17 12.085 3.110 4.572 1.00 0.21 N ATOM 251 CA ARG A 17 11.369 4.359 4.615 1.00 0.21 C ATOM 252 C ARG A 17 10.470 4.449 3.387 1.00 0.19 C ATOM 253 O ARG A 17 10.634 5.299 2.535 1.00 0.28 O ATOM 254 CB ARG A 17 12.367 5.522 4.699 1.00 0.26 C ATOM 255 CG ARG A 17 11.818 6.779 5.347 1.00 0.39 C ATOM 256 CD ARG A 17 12.933 7.754 5.665 1.00 0.37 C ATOM 257 NE ARG A 17 13.926 7.155 6.560 1.00 1.13 N ATOM 258 CZ ARG A 17 14.752 7.849 7.338 1.00 1.48 C ATOM 259 NH1 ARG A 17 14.708 9.175 7.352 1.00 1.46 N ATOM 260 NH2 ARG A 17 15.613 7.206 8.117 1.00 2.42 N ATOM 0 H ARG A 17 11.883 2.488 5.355 1.00 0.21 H new ATOM 0 HA ARG A 17 10.736 4.416 5.501 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.242 5.193 5.259 1.00 0.26 H new ATOM 0 HB3 ARG A 17 12.706 5.766 3.692 1.00 0.26 H new ATOM 0 HG2 ARG A 17 11.096 7.251 4.681 1.00 0.39 H new ATOM 0 HG3 ARG A 17 11.285 6.519 6.262 1.00 0.39 H new ATOM 0 HD2 ARG A 17 13.417 8.070 4.741 1.00 0.37 H new ATOM 0 HD3 ARG A 17 12.516 8.648 6.128 1.00 0.37 H new ATOM 0 HE ARG A 17 13.988 6.137 6.588 1.00 1.13 H new ATOM 0 HH11 ARG A 17 14.037 9.669 6.763 1.00 1.46 H new ATOM 0 HH12 ARG A 17 15.345 9.700 7.951 1.00 1.46 H new ATOM 0 HH21 ARG A 17 15.638 6.186 8.116 1.00 2.42 H new ATOM 0 HH22 ARG A 17 16.249 7.732 8.716 1.00 2.42 H new ATOM 274 N LEU A 18 9.535 3.524 3.273 1.00 0.16 N ATOM 275 CA LEU A 18 8.635 3.517 2.130 1.00 0.14 C ATOM 276 C LEU A 18 7.198 3.846 2.508 1.00 0.13 C ATOM 277 O LEU A 18 6.547 3.102 3.256 1.00 0.15 O ATOM 278 CB LEU A 18 8.669 2.177 1.435 1.00 0.19 C ATOM 279 CG LEU A 18 9.619 2.059 0.250 1.00 0.23 C ATOM 280 CD1 LEU A 18 10.958 2.673 0.574 1.00 0.25 C ATOM 281 CD2 LEU A 18 9.776 0.603 -0.164 1.00 0.27 C ATOM 0 H LEU A 18 9.378 2.775 3.948 1.00 0.16 H new ATOM 0 HA LEU A 18 8.990 4.298 1.458 1.00 0.14 H new ATOM 0 HB2 LEU A 18 8.940 1.417 2.168 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.661 1.943 1.091 1.00 0.19 H new ATOM 0 HG LEU A 18 9.192 2.609 -0.589 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.620 2.577 -0.287 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.826 3.728 0.814 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.397 2.158 1.429 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.458 0.537 -1.012 1.00 0.27 H new ATOM 0 HD22 LEU A 18 10.178 0.029 0.671 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.804 0.199 -0.448 1.00 0.27 H new ATOM 293 N SER A 19 6.705 4.938 1.933 1.00 0.16 N ATOM 294 CA SER A 19 5.366 5.426 2.194 1.00 0.16 C ATOM 295 C SER A 19 4.528 5.429 0.920 1.00 0.14 C ATOM 296 O SER A 19 4.916 5.983 -0.104 1.00 0.18 O ATOM 297 CB SER A 19 5.455 6.826 2.762 1.00 0.23 C ATOM 298 OG SER A 19 4.178 7.375 3.029 1.00 0.67 O ATOM 0 H SER A 19 7.230 5.508 1.270 1.00 0.16 H new ATOM 0 HA SER A 19 4.880 4.765 2.912 1.00 0.16 H new ATOM 0 HB2 SER A 19 6.040 6.807 3.681 1.00 0.23 H new ATOM 0 HB3 SER A 19 5.986 7.469 2.059 1.00 0.23 H new ATOM 0 HG SER A 19 4.280 8.278 3.396 1.00 0.67 H new ATOM 304 N VAL A 20 3.370 4.828 1.020 1.00 0.14 N ATOM 305 CA VAL A 20 2.471 4.639 -0.102 1.00 0.14 C ATOM 306 C VAL A 20 1.331 5.638 -0.054 1.00 0.13 C ATOM 307 O VAL A 20 0.962 6.152 1.010 1.00 0.14 O ATOM 308 CB VAL A 20 1.863 3.221 -0.109 1.00 0.19 C ATOM 309 CG1 VAL A 20 0.929 3.043 1.055 1.00 0.89 C ATOM 310 CG2 VAL A 20 1.120 2.933 -1.401 1.00 0.85 C ATOM 0 H VAL A 20 3.014 4.448 1.897 1.00 0.14 H new ATOM 0 HA VAL A 20 3.064 4.786 -1.005 1.00 0.14 H new ATOM 0 HB VAL A 20 2.690 2.516 -0.026 1.00 0.19 H new ATOM 0 HG11 VAL A 20 0.509 2.037 1.034 1.00 0.89 H new ATOM 0 HG12 VAL A 20 1.476 3.189 1.986 1.00 0.89 H new ATOM 0 HG13 VAL A 20 0.123 3.774 0.990 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.707 1.925 -1.366 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.311 3.653 -1.524 1.00 0.85 H new ATOM 0 HG23 VAL A 20 1.808 3.014 -2.242 1.00 0.85 H new ATOM 320 N ILE A 21 0.784 5.898 -1.219 1.00 0.16 N ATOM 321 CA ILE A 21 -0.360 6.763 -1.352 1.00 0.18 C ATOM 322 C ILE A 21 -1.614 5.920 -1.353 1.00 0.16 C ATOM 323 O ILE A 21 -1.850 5.151 -2.281 1.00 0.20 O ATOM 324 CB ILE A 21 -0.263 7.519 -2.685 1.00 0.28 C ATOM 325 CG1 ILE A 21 1.189 7.934 -2.916 1.00 0.23 C ATOM 326 CG2 ILE A 21 -1.188 8.724 -2.696 1.00 0.50 C ATOM 327 CD1 ILE A 21 1.458 8.495 -4.297 1.00 0.73 C ATOM 0 H ILE A 21 1.122 5.514 -2.101 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.389 7.472 -0.525 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.581 6.864 -3.496 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.465 8.681 -2.172 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.833 7.070 -2.755 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -1.100 9.242 -3.651 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -2.217 8.394 -2.556 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.911 9.402 -1.889 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.510 8.766 -4.381 1.00 0.73 H new ATOM 0 HD12 ILE A 21 1.215 7.744 -5.049 1.00 0.73 H new ATOM 0 HD13 ILE A 21 0.842 9.380 -4.457 1.00 0.73 H new ATOM 339 N VAL A 22 -2.411 6.072 -0.309 1.00 0.14 N ATOM 340 CA VAL A 22 -3.678 5.385 -0.231 1.00 0.13 C ATOM 341 C VAL A 22 -4.776 6.383 -0.446 1.00 0.13 C ATOM 342 O VAL A 22 -4.795 7.441 0.183 1.00 0.20 O ATOM 343 CB VAL A 22 -3.909 4.692 1.119 1.00 0.15 C ATOM 344 CG1 VAL A 22 -5.092 3.751 1.022 1.00 0.16 C ATOM 345 CG2 VAL A 22 -2.662 3.957 1.565 1.00 0.20 C ATOM 0 H VAL A 22 -2.199 6.666 0.493 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.672 4.610 -0.997 1.00 0.13 H new ATOM 0 HB VAL A 22 -4.132 5.450 1.870 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.249 3.263 1.984 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -5.984 4.315 0.751 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -4.895 2.996 0.261 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.848 3.473 2.524 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.399 3.203 0.823 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.840 4.665 1.669 1.00 0.20 H new ATOM 355 N THR A 23 -5.676 6.062 -1.333 1.00 0.15 N ATOM 356 CA THR A 23 -6.682 7.002 -1.716 1.00 0.18 C ATOM 357 C THR A 23 -8.030 6.333 -1.956 1.00 0.15 C ATOM 358 O THR A 23 -8.127 5.280 -2.582 1.00 0.16 O ATOM 359 CB THR A 23 -6.201 7.788 -2.958 1.00 0.33 C ATOM 360 OG1 THR A 23 -5.272 8.801 -2.550 1.00 1.21 O ATOM 361 CG2 THR A 23 -7.353 8.422 -3.728 1.00 0.87 C ATOM 0 H THR A 23 -5.731 5.158 -1.801 1.00 0.15 H new ATOM 0 HA THR A 23 -6.837 7.701 -0.894 1.00 0.18 H new ATOM 0 HB THR A 23 -5.717 7.079 -3.630 1.00 0.33 H new ATOM 0 HG1 THR A 23 -4.965 9.299 -3.336 1.00 1.21 H new ATOM 0 HG21 THR A 23 -6.961 8.962 -4.590 1.00 0.87 H new ATOM 0 HG22 THR A 23 -8.036 7.643 -4.067 1.00 0.87 H new ATOM 0 HG23 THR A 23 -7.887 9.115 -3.078 1.00 0.87 H new ATOM 369 N HIS A 24 -9.052 6.915 -1.370 1.00 0.20 N ATOM 370 CA HIS A 24 -10.419 6.618 -1.737 1.00 0.24 C ATOM 371 C HIS A 24 -11.011 7.899 -2.269 1.00 0.34 C ATOM 372 O HIS A 24 -11.208 8.852 -1.512 1.00 0.38 O ATOM 373 CB HIS A 24 -11.219 6.105 -0.533 1.00 0.31 C ATOM 374 CG HIS A 24 -12.701 5.968 -0.771 1.00 0.47 C ATOM 375 ND1 HIS A 24 -13.249 5.583 -1.979 1.00 1.20 N ATOM 376 CD2 HIS A 24 -13.751 6.183 0.059 1.00 1.13 C ATOM 377 CE1 HIS A 24 -14.568 5.573 -1.877 1.00 1.08 C ATOM 378 NE2 HIS A 24 -14.894 5.929 -0.654 1.00 0.96 N ATOM 0 H HIS A 24 -8.960 7.607 -0.626 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.453 5.829 -2.488 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.821 5.134 -0.237 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -11.061 6.783 0.306 1.00 0.31 H new ATOM 0 HD2 HIS A 24 -13.697 6.496 1.091 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.260 5.316 -2.665 1.00 1.08 H new ATOM 0 HE2 HIS A 24 -15.845 6.004 -0.293 1.00 0.96 H new ATOM 387 N SER A 25 -11.257 7.917 -3.570 1.00 0.41 N ATOM 388 CA SER A 25 -11.746 9.111 -4.262 1.00 0.55 C ATOM 389 C SER A 25 -10.637 10.165 -4.397 1.00 0.60 C ATOM 390 O SER A 25 -10.200 10.493 -5.500 1.00 0.99 O ATOM 391 CB SER A 25 -12.953 9.683 -3.512 1.00 0.63 C ATOM 392 OG SER A 25 -14.083 8.838 -3.653 1.00 1.17 O ATOM 0 H SER A 25 -11.125 7.109 -4.179 1.00 0.41 H new ATOM 0 HA SER A 25 -12.055 8.830 -5.269 1.00 0.55 H new ATOM 0 HB2 SER A 25 -12.709 9.798 -2.456 1.00 0.63 H new ATOM 0 HB3 SER A 25 -13.187 10.676 -3.895 1.00 0.63 H new ATOM 0 HG SER A 25 -14.841 9.222 -3.165 1.00 1.17 H new ATOM 398 N ASN A 26 -10.172 10.642 -3.253 1.00 0.44 N ATOM 399 CA ASN A 26 -9.164 11.703 -3.152 1.00 0.50 C ATOM 400 C ASN A 26 -8.555 11.625 -1.766 1.00 0.43 C ATOM 401 O ASN A 26 -7.398 11.979 -1.549 1.00 0.47 O ATOM 402 CB ASN A 26 -9.764 13.106 -3.350 1.00 0.65 C ATOM 403 CG ASN A 26 -10.213 13.386 -4.771 1.00 1.42 C ATOM 404 OD1 ASN A 26 -9.413 13.777 -5.620 1.00 2.19 O ATOM 405 ND2 ASN A 26 -11.502 13.225 -5.032 1.00 2.02 N ATOM 0 H ASN A 26 -10.487 10.299 -2.345 1.00 0.44 H new ATOM 0 HA ASN A 26 -8.424 11.553 -3.938 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -10.616 13.224 -2.680 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -9.024 13.852 -3.059 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -11.863 13.427 -5.964 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -12.134 12.899 -4.301 1.00 2.02 H new ATOM 412 N GLU A 27 -9.400 11.174 -0.841 1.00 0.41 N ATOM 413 CA GLU A 27 -9.034 10.876 0.536 1.00 0.42 C ATOM 414 C GLU A 27 -7.705 10.136 0.590 1.00 0.37 C ATOM 415 O GLU A 27 -7.614 8.974 0.190 1.00 0.49 O ATOM 416 CB GLU A 27 -10.148 10.020 1.118 1.00 0.50 C ATOM 417 CG GLU A 27 -10.068 9.774 2.613 1.00 0.58 C ATOM 418 CD GLU A 27 -11.222 8.922 3.098 1.00 1.21 C ATOM 419 OE1 GLU A 27 -11.675 8.042 2.330 1.00 1.58 O ATOM 420 OE2 GLU A 27 -11.702 9.140 4.227 1.00 1.75 O ATOM 0 H GLU A 27 -10.386 11.002 -1.038 1.00 0.41 H new ATOM 0 HA GLU A 27 -8.913 11.795 1.110 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -11.103 10.497 0.896 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -10.147 9.057 0.608 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -9.125 9.282 2.852 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -10.072 10.728 3.140 1.00 0.58 H new ATOM 427 N ARG A 28 -6.688 10.810 1.092 1.00 0.33 N ATOM 428 CA ARG A 28 -5.324 10.323 0.970 1.00 0.33 C ATOM 429 C ARG A 28 -4.684 10.113 2.341 1.00 0.30 C ATOM 430 O ARG A 28 -4.647 11.019 3.176 1.00 0.36 O ATOM 431 CB ARG A 28 -4.510 11.322 0.136 1.00 0.48 C ATOM 432 CG ARG A 28 -3.360 10.706 -0.649 1.00 0.72 C ATOM 433 CD ARG A 28 -2.231 10.242 0.251 1.00 0.76 C ATOM 434 NE ARG A 28 -1.683 11.337 1.041 1.00 1.75 N ATOM 435 CZ ARG A 28 -0.549 11.267 1.726 1.00 2.38 C ATOM 436 NH1 ARG A 28 0.196 10.169 1.684 1.00 2.45 N ATOM 437 NH2 ARG A 28 -0.150 12.303 2.442 1.00 3.31 N ATOM 0 H ARG A 28 -6.779 11.696 1.588 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.336 9.355 0.470 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -5.181 11.824 -0.562 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -4.110 12.088 0.800 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -3.731 9.860 -1.228 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -2.977 11.437 -1.361 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -2.595 9.460 0.917 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -1.440 9.801 -0.356 1.00 0.76 H new ATOM 0 HE ARG A 28 -2.205 12.213 1.069 1.00 1.75 H new ATOM 0 HH11 ARG A 28 -0.102 9.372 1.122 1.00 2.45 H new ATOM 0 HH12 ARG A 28 1.067 10.123 2.213 1.00 2.45 H new ATOM 0 HH21 ARG A 28 -0.713 13.153 2.467 1.00 3.31 H new ATOM 0 HH22 ARG A 28 0.721 12.253 2.970 1.00 3.31 H new ATOM 451 N TYR A 29 -4.179 8.906 2.547 1.00 0.28 N ATOM 452 CA TYR A 29 -3.506 8.519 3.783 1.00 0.27 C ATOM 453 C TYR A 29 -2.110 7.986 3.486 1.00 0.25 C ATOM 454 O TYR A 29 -1.917 7.271 2.497 1.00 0.27 O ATOM 455 CB TYR A 29 -4.311 7.452 4.524 1.00 0.34 C ATOM 456 CG TYR A 29 -5.515 7.979 5.271 1.00 0.93 C ATOM 457 CD1 TYR A 29 -6.705 8.222 4.601 1.00 1.65 C ATOM 458 CD2 TYR A 29 -5.460 8.249 6.633 1.00 1.30 C ATOM 459 CE1 TYR A 29 -7.809 8.717 5.265 1.00 2.31 C ATOM 460 CE2 TYR A 29 -6.562 8.746 7.304 1.00 1.95 C ATOM 461 CZ TYR A 29 -7.723 8.919 6.674 1.00 2.36 C ATOM 462 OH TYR A 29 -8.833 9.479 7.272 1.00 3.09 O ATOM 0 H TYR A 29 -4.224 8.158 1.855 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.425 9.405 4.413 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -4.644 6.703 3.806 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -3.654 6.945 5.231 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -6.769 8.020 3.542 1.00 1.65 H new ATOM 0 HD2 TYR A 29 -4.544 8.068 7.175 1.00 1.30 H new ATOM 0 HE1 TYR A 29 -8.718 8.946 4.729 1.00 2.31 H new ATOM 0 HE2 TYR A 29 -6.481 8.997 8.351 1.00 1.95 H new ATOM 0 HH TYR A 29 -8.673 9.574 8.234 1.00 3.09 H new ATOM 472 N ASP A 30 -1.136 8.361 4.310 1.00 0.27 N ATOM 473 CA ASP A 30 0.212 7.810 4.197 1.00 0.30 C ATOM 474 C ASP A 30 0.223 6.425 4.820 1.00 0.25 C ATOM 475 O ASP A 30 -0.072 6.269 6.007 1.00 0.34 O ATOM 476 CB ASP A 30 1.248 8.662 4.949 1.00 0.50 C ATOM 477 CG ASP A 30 1.254 10.123 4.563 1.00 1.27 C ATOM 478 OD1 ASP A 30 1.994 10.500 3.631 1.00 1.99 O ATOM 479 OD2 ASP A 30 0.533 10.912 5.207 1.00 2.01 O ATOM 0 H ASP A 30 -1.253 9.041 5.061 1.00 0.27 H new ATOM 0 HA ASP A 30 0.474 7.789 3.139 1.00 0.30 H new ATOM 0 HB2 ASP A 30 1.058 8.582 6.019 1.00 0.50 H new ATOM 0 HB3 ASP A 30 2.240 8.247 4.770 1.00 0.50 H new ATOM 484 N LEU A 31 0.564 5.428 4.032 1.00 0.18 N ATOM 485 CA LEU A 31 0.631 4.061 4.519 1.00 0.15 C ATOM 486 C LEU A 31 2.019 3.516 4.226 1.00 0.14 C ATOM 487 O LEU A 31 2.693 4.005 3.336 1.00 0.18 O ATOM 488 CB LEU A 31 -0.464 3.209 3.869 1.00 0.15 C ATOM 489 CG LEU A 31 -1.328 2.389 4.825 1.00 0.14 C ATOM 490 CD1 LEU A 31 -0.552 1.195 5.358 1.00 0.17 C ATOM 491 CD2 LEU A 31 -1.799 3.260 5.978 1.00 0.16 C ATOM 0 H LEU A 31 0.801 5.536 3.046 1.00 0.18 H new ATOM 0 HA LEU A 31 0.459 4.031 5.595 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.116 3.867 3.295 1.00 0.15 H new ATOM 0 HB3 LEU A 31 0.006 2.528 3.160 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.196 2.021 4.278 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.185 0.624 6.037 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.245 0.560 4.527 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.331 1.544 5.893 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.414 2.667 6.654 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -0.935 3.647 6.518 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.386 4.092 5.589 1.00 0.16 H new ATOM 503 N LEU A 32 2.480 2.553 4.991 1.00 0.15 N ATOM 504 CA LEU A 32 3.852 2.106 4.851 1.00 0.16 C ATOM 505 C LEU A 32 3.910 0.646 4.405 1.00 0.14 C ATOM 506 O LEU A 32 3.092 -0.172 4.829 1.00 0.14 O ATOM 507 CB LEU A 32 4.606 2.379 6.166 1.00 0.19 C ATOM 508 CG LEU A 32 5.701 1.389 6.568 1.00 0.22 C ATOM 509 CD1 LEU A 32 6.748 2.103 7.403 1.00 0.52 C ATOM 510 CD2 LEU A 32 5.114 0.232 7.368 1.00 0.73 C ATOM 0 H LEU A 32 1.938 2.069 5.706 1.00 0.15 H new ATOM 0 HA LEU A 32 4.353 2.668 4.063 1.00 0.16 H new ATOM 0 HB2 LEU A 32 5.056 3.369 6.097 1.00 0.19 H new ATOM 0 HB3 LEU A 32 3.874 2.417 6.973 1.00 0.19 H new ATOM 0 HG LEU A 32 6.159 0.990 5.663 1.00 0.22 H new ATOM 0 HD11 LEU A 32 7.528 1.398 7.689 1.00 0.52 H new ATOM 0 HD12 LEU A 32 7.187 2.913 6.821 1.00 0.52 H new ATOM 0 HD13 LEU A 32 6.282 2.512 8.299 1.00 0.52 H new ATOM 0 HD21 LEU A 32 5.910 -0.460 7.644 1.00 0.73 H new ATOM 0 HD22 LEU A 32 4.639 0.617 8.270 1.00 0.73 H new ATOM 0 HD23 LEU A 32 4.373 -0.290 6.763 1.00 0.73 H new ATOM 522 N VAL A 33 4.904 0.344 3.563 1.00 0.14 N ATOM 523 CA VAL A 33 5.049 -0.972 2.931 1.00 0.14 C ATOM 524 C VAL A 33 5.306 -2.033 3.985 1.00 0.14 C ATOM 525 O VAL A 33 5.894 -1.744 5.021 1.00 0.15 O ATOM 526 CB VAL A 33 6.232 -0.964 1.925 1.00 0.17 C ATOM 527 CG1 VAL A 33 5.966 0.003 0.799 1.00 0.98 C ATOM 528 CG2 VAL A 33 7.535 -0.626 2.633 1.00 1.15 C ATOM 0 H VAL A 33 5.633 1.007 3.300 1.00 0.14 H new ATOM 0 HA VAL A 33 4.124 -1.198 2.400 1.00 0.14 H new ATOM 0 HB VAL A 33 6.327 -1.963 1.499 1.00 0.17 H new ATOM 0 HG11 VAL A 33 6.807 -0.006 0.105 1.00 0.98 H new ATOM 0 HG12 VAL A 33 5.058 -0.292 0.273 1.00 0.98 H new ATOM 0 HG13 VAL A 33 5.841 1.007 1.204 1.00 0.98 H new ATOM 0 HG21 VAL A 33 8.352 -0.625 1.911 1.00 1.15 H new ATOM 0 HG22 VAL A 33 7.455 0.360 3.091 1.00 1.15 H new ATOM 0 HG23 VAL A 33 7.733 -1.370 3.405 1.00 1.15 H new ATOM 538 N THR A 34 4.873 -3.257 3.732 1.00 0.14 N ATOM 539 CA THR A 34 4.869 -4.258 4.778 1.00 0.17 C ATOM 540 C THR A 34 6.244 -4.885 4.920 1.00 0.17 C ATOM 541 O THR A 34 6.744 -5.570 4.024 1.00 0.18 O ATOM 542 CB THR A 34 3.816 -5.344 4.506 1.00 0.19 C ATOM 543 OG1 THR A 34 2.558 -4.728 4.207 1.00 0.21 O ATOM 544 CG2 THR A 34 3.654 -6.261 5.710 1.00 0.23 C ATOM 0 H THR A 34 4.526 -3.575 2.827 1.00 0.14 H new ATOM 0 HA THR A 34 4.610 -3.761 5.713 1.00 0.17 H new ATOM 0 HB THR A 34 4.151 -5.941 3.658 1.00 0.19 H new ATOM 0 HG1 THR A 34 1.832 -5.360 4.391 1.00 0.21 H new ATOM 0 HG21 THR A 34 2.903 -7.020 5.491 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.606 -6.745 5.930 1.00 0.23 H new ATOM 0 HG23 THR A 34 3.337 -5.676 6.573 1.00 0.23 H new ATOM 552 N PRO A 35 6.868 -4.615 6.076 1.00 0.18 N ATOM 553 CA PRO A 35 8.246 -4.987 6.358 1.00 0.20 C ATOM 554 C PRO A 35 8.434 -6.486 6.515 1.00 0.23 C ATOM 555 O PRO A 35 7.476 -7.230 6.729 1.00 0.35 O ATOM 556 CB PRO A 35 8.551 -4.272 7.677 1.00 0.27 C ATOM 557 CG PRO A 35 7.229 -4.122 8.336 1.00 0.32 C ATOM 558 CD PRO A 35 6.241 -3.926 7.223 1.00 0.22 C ATOM 0 HA PRO A 35 8.909 -4.706 5.539 1.00 0.20 H new ATOM 0 HB2 PRO A 35 9.237 -4.853 8.293 1.00 0.27 H new ATOM 0 HB3 PRO A 35 9.020 -3.303 7.504 1.00 0.27 H new ATOM 0 HG2 PRO A 35 6.983 -5.005 8.927 1.00 0.32 H new ATOM 0 HG3 PRO A 35 7.225 -3.271 9.017 1.00 0.32 H new ATOM 0 HD2 PRO A 35 5.270 -4.357 7.468 1.00 0.22 H new ATOM 0 HD3 PRO A 35 6.077 -2.869 7.015 1.00 0.22 H new ATOM 566 N GLN A 36 9.686 -6.897 6.346 1.00 0.26 N ATOM 567 CA GLN A 36 10.138 -8.274 6.572 1.00 0.29 C ATOM 568 C GLN A 36 9.971 -9.117 5.319 1.00 0.30 C ATOM 569 O GLN A 36 9.862 -10.339 5.382 1.00 0.73 O ATOM 570 CB GLN A 36 9.452 -8.926 7.778 1.00 0.42 C ATOM 571 CG GLN A 36 9.803 -8.268 9.104 1.00 0.59 C ATOM 572 CD GLN A 36 9.157 -8.959 10.287 1.00 0.98 C ATOM 573 OE1 GLN A 36 8.922 -10.169 10.266 1.00 1.69 O ATOM 574 NE2 GLN A 36 8.864 -8.197 11.330 1.00 1.72 N ATOM 0 H GLN A 36 10.434 -6.273 6.042 1.00 0.26 H new ATOM 0 HA GLN A 36 11.201 -8.223 6.808 1.00 0.29 H new ATOM 0 HB2 GLN A 36 8.372 -8.887 7.637 1.00 0.42 H new ATOM 0 HB3 GLN A 36 9.730 -9.979 7.819 1.00 0.42 H new ATOM 0 HG2 GLN A 36 10.885 -8.273 9.232 1.00 0.59 H new ATOM 0 HG3 GLN A 36 9.489 -7.224 9.082 1.00 0.59 H new ATOM 0 HE21 GLN A 36 9.075 -7.199 11.308 1.00 1.72 H new ATOM 0 HE22 GLN A 36 8.428 -8.608 12.155 1.00 1.72 H new ATOM 583 N GLN A 37 9.936 -8.438 4.185 1.00 0.33 N ATOM 584 CA GLN A 37 10.069 -9.083 2.891 1.00 0.26 C ATOM 585 C GLN A 37 11.514 -8.936 2.448 1.00 0.30 C ATOM 586 O GLN A 37 12.289 -9.893 2.406 1.00 0.74 O ATOM 587 CB GLN A 37 9.163 -8.409 1.863 1.00 0.23 C ATOM 588 CG GLN A 37 8.279 -9.378 1.091 1.00 0.26 C ATOM 589 CD GLN A 37 9.074 -10.432 0.334 1.00 0.44 C ATOM 590 OE1 GLN A 37 9.457 -10.237 -0.821 1.00 1.02 O ATOM 591 NE2 GLN A 37 9.326 -11.565 0.973 1.00 1.42 N ATOM 0 H GLN A 37 9.815 -7.426 4.136 1.00 0.33 H new ATOM 0 HA GLN A 37 9.784 -10.132 2.970 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.530 -7.682 2.372 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.781 -7.855 1.157 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.599 -9.872 1.784 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.664 -8.818 0.386 1.00 0.26 H new ATOM 0 HE21 GLN A 37 8.995 -11.696 1.929 1.00 1.42 H new ATOM 0 HE22 GLN A 37 9.851 -12.306 0.509 1.00 1.42 H new ATOM 600 N GLY A 38 11.839 -7.701 2.125 1.00 0.43 N ATOM 601 CA GLY A 38 13.197 -7.270 1.923 1.00 0.34 C ATOM 602 C GLY A 38 13.287 -5.869 2.440 1.00 0.38 C ATOM 603 O GLY A 38 14.053 -5.564 3.351 1.00 0.83 O ATOM 0 H GLY A 38 11.151 -6.960 1.994 1.00 0.43 H new ATOM 0 HA2 GLY A 38 13.892 -7.922 2.451 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.462 -7.310 0.867 1.00 0.34 H new ATOM 607 N ASN A 39 12.435 -5.054 1.833 1.00 0.27 N ATOM 608 CA ASN A 39 12.118 -3.686 2.238 1.00 0.22 C ATOM 609 C ASN A 39 11.537 -2.977 1.041 1.00 0.21 C ATOM 610 O ASN A 39 10.628 -2.162 1.151 1.00 0.27 O ATOM 611 CB ASN A 39 13.318 -2.889 2.787 1.00 0.29 C ATOM 612 CG ASN A 39 14.587 -2.955 1.939 1.00 0.40 C ATOM 613 OD1 ASN A 39 14.547 -3.081 0.716 1.00 1.06 O ATOM 614 ND2 ASN A 39 15.732 -2.887 2.599 1.00 1.11 N ATOM 0 H ASN A 39 11.918 -5.341 1.002 1.00 0.27 H new ATOM 0 HA ASN A 39 11.412 -3.745 3.066 1.00 0.22 H new ATOM 0 HB2 ASN A 39 13.023 -1.845 2.890 1.00 0.29 H new ATOM 0 HB3 ASN A 39 13.549 -3.255 3.787 1.00 0.29 H new ATOM 0 HD21 ASN A 39 16.616 -2.939 2.093 1.00 1.11 H new ATOM 0 HD22 ASN A 39 15.730 -2.782 3.614 1.00 1.11 H new ATOM 621 N SER A 40 12.042 -3.363 -0.108 1.00 0.24 N ATOM 622 CA SER A 40 11.692 -2.759 -1.365 1.00 0.32 C ATOM 623 C SER A 40 10.494 -3.467 -1.960 1.00 0.32 C ATOM 624 O SER A 40 9.657 -2.860 -2.609 1.00 0.50 O ATOM 625 CB SER A 40 12.891 -2.875 -2.301 1.00 0.40 C ATOM 626 OG SER A 40 14.008 -2.168 -1.786 1.00 1.42 O ATOM 0 H SER A 40 12.720 -4.120 -0.193 1.00 0.24 H new ATOM 0 HA SER A 40 11.433 -1.710 -1.221 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.151 -3.925 -2.436 1.00 0.40 H new ATOM 0 HB3 SER A 40 12.629 -2.483 -3.284 1.00 0.40 H new ATOM 0 HG SER A 40 14.260 -2.543 -0.916 1.00 1.42 H new ATOM 632 N GLU A 41 10.399 -4.750 -1.677 1.00 0.24 N ATOM 633 CA GLU A 41 9.427 -5.603 -2.313 1.00 0.31 C ATOM 634 C GLU A 41 8.490 -6.148 -1.257 1.00 0.26 C ATOM 635 O GLU A 41 8.727 -7.200 -0.697 1.00 0.30 O ATOM 636 CB GLU A 41 10.128 -6.740 -3.087 1.00 0.45 C ATOM 637 CG GLU A 41 11.138 -7.556 -2.273 1.00 1.12 C ATOM 638 CD GLU A 41 12.421 -6.807 -1.957 1.00 1.32 C ATOM 639 OE1 GLU A 41 13.368 -6.877 -2.768 1.00 1.66 O ATOM 640 OE2 GLU A 41 12.498 -6.150 -0.890 1.00 1.83 O ATOM 0 H GLU A 41 10.995 -5.227 -1.000 1.00 0.24 H new ATOM 0 HA GLU A 41 8.848 -5.030 -3.037 1.00 0.31 H new ATOM 0 HB2 GLU A 41 9.367 -7.417 -3.475 1.00 0.45 H new ATOM 0 HB3 GLU A 41 10.641 -6.310 -3.947 1.00 0.45 H new ATOM 0 HG2 GLU A 41 10.671 -7.867 -1.339 1.00 1.12 H new ATOM 0 HG3 GLU A 41 11.385 -8.464 -2.823 1.00 1.12 H new ATOM 647 N PRO A 42 7.428 -5.405 -0.949 1.00 0.22 N ATOM 648 CA PRO A 42 6.487 -5.748 0.120 1.00 0.21 C ATOM 649 C PRO A 42 5.787 -7.089 -0.107 1.00 0.20 C ATOM 650 O PRO A 42 5.831 -7.656 -1.194 1.00 0.20 O ATOM 651 CB PRO A 42 5.478 -4.603 0.096 1.00 0.23 C ATOM 652 CG PRO A 42 6.165 -3.493 -0.611 1.00 0.26 C ATOM 653 CD PRO A 42 7.057 -4.150 -1.617 1.00 0.24 C ATOM 0 HA PRO A 42 6.997 -5.863 1.077 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.564 -4.894 -0.422 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.192 -4.309 1.106 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.446 -2.833 -1.096 1.00 0.26 H new ATOM 0 HG3 PRO A 42 6.741 -2.882 0.084 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.540 -4.330 -2.560 1.00 0.24 H new ATOM 0 HD3 PRO A 42 7.930 -3.539 -1.844 1.00 0.24 H new ATOM 661 N VAL A 43 5.170 -7.609 0.941 1.00 0.21 N ATOM 662 CA VAL A 43 4.549 -8.924 0.888 1.00 0.22 C ATOM 663 C VAL A 43 3.200 -8.869 0.174 1.00 0.19 C ATOM 664 O VAL A 43 2.666 -7.788 -0.052 1.00 0.17 O ATOM 665 CB VAL A 43 4.336 -9.520 2.296 1.00 0.26 C ATOM 666 CG1 VAL A 43 5.655 -9.708 3.024 1.00 0.32 C ATOM 667 CG2 VAL A 43 3.403 -8.650 3.116 1.00 0.24 C ATOM 0 H VAL A 43 5.085 -7.139 1.842 1.00 0.21 H new ATOM 0 HA VAL A 43 5.235 -9.563 0.333 1.00 0.22 H new ATOM 0 HB VAL A 43 3.877 -10.500 2.169 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.469 -10.129 4.012 1.00 0.32 H new ATOM 0 HG12 VAL A 43 6.291 -10.386 2.455 1.00 0.32 H new ATOM 0 HG13 VAL A 43 6.153 -8.744 3.129 1.00 0.32 H new ATOM 0 HG21 VAL A 43 3.269 -9.091 4.104 1.00 0.24 H new ATOM 0 HG22 VAL A 43 3.832 -7.653 3.219 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.437 -8.580 2.616 1.00 0.24 H new ATOM 677 N VAL A 44 2.635 -10.035 -0.132 1.00 0.22 N ATOM 678 CA VAL A 44 1.318 -10.127 -0.776 1.00 0.22 C ATOM 679 C VAL A 44 0.276 -9.339 0.010 1.00 0.20 C ATOM 680 O VAL A 44 -0.668 -8.784 -0.551 1.00 0.25 O ATOM 681 CB VAL A 44 0.858 -11.593 -0.914 1.00 0.27 C ATOM 682 CG1 VAL A 44 1.590 -12.277 -2.056 1.00 0.36 C ATOM 683 CG2 VAL A 44 1.078 -12.356 0.388 1.00 0.36 C ATOM 0 H VAL A 44 3.070 -10.938 0.056 1.00 0.22 H new ATOM 0 HA VAL A 44 1.416 -9.699 -1.774 1.00 0.22 H new ATOM 0 HB VAL A 44 -0.209 -11.593 -1.135 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.252 -13.310 -2.138 1.00 0.36 H new ATOM 0 HG12 VAL A 44 1.381 -11.752 -2.988 1.00 0.36 H new ATOM 0 HG13 VAL A 44 2.663 -12.260 -1.863 1.00 0.36 H new ATOM 0 HG21 VAL A 44 0.746 -13.387 0.266 1.00 0.36 H new ATOM 0 HG22 VAL A 44 2.138 -12.344 0.642 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.507 -11.883 1.188 1.00 0.36 H new ATOM 693 N GLN A 45 0.482 -9.290 1.310 1.00 0.19 N ATOM 694 CA GLN A 45 -0.418 -8.604 2.234 1.00 0.19 C ATOM 695 C GLN A 45 -0.464 -7.113 1.946 1.00 0.16 C ATOM 696 O GLN A 45 -1.517 -6.497 2.046 1.00 0.19 O ATOM 697 CB GLN A 45 0.051 -8.796 3.669 1.00 0.25 C ATOM 698 CG GLN A 45 -0.016 -10.225 4.158 1.00 0.62 C ATOM 699 CD GLN A 45 -1.398 -10.629 4.644 1.00 0.89 C ATOM 700 OE1 GLN A 45 -2.189 -9.792 5.083 1.00 1.66 O ATOM 701 NE2 GLN A 45 -1.675 -11.922 4.615 1.00 1.44 N ATOM 0 H GLN A 45 1.283 -9.727 1.766 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.411 -9.033 2.100 1.00 0.19 H new ATOM 0 HB2 GLN A 45 1.079 -8.443 3.754 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -0.556 -8.171 4.324 1.00 0.25 H new ATOM 0 HG2 GLN A 45 0.288 -10.892 3.351 1.00 0.62 H new ATOM 0 HG3 GLN A 45 0.700 -10.358 4.969 1.00 0.62 H new ATOM 0 HE21 GLN A 45 -0.992 -12.582 4.243 1.00 1.44 H new ATOM 0 HE22 GLN A 45 -2.572 -12.259 4.965 1.00 1.44 H new ATOM 710 N ASP A 46 0.682 -6.567 1.541 1.00 0.15 N ATOM 711 CA ASP A 46 0.937 -5.127 1.566 1.00 0.14 C ATOM 712 C ASP A 46 -0.061 -4.332 0.751 1.00 0.14 C ATOM 713 O ASP A 46 -0.596 -3.336 1.218 1.00 0.15 O ATOM 714 CB ASP A 46 2.344 -4.854 1.044 1.00 0.17 C ATOM 715 CG ASP A 46 2.581 -3.389 0.769 1.00 0.14 C ATOM 716 OD1 ASP A 46 3.008 -2.683 1.696 1.00 0.16 O ATOM 717 OD2 ASP A 46 2.340 -2.948 -0.379 1.00 0.17 O ATOM 0 H ASP A 46 1.465 -7.115 1.184 1.00 0.15 H new ATOM 0 HA ASP A 46 0.834 -4.803 2.602 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.074 -5.207 1.773 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.506 -5.424 0.129 1.00 0.17 H new ATOM 722 N LEU A 47 -0.329 -4.780 -0.453 1.00 0.18 N ATOM 723 CA LEU A 47 -1.147 -4.040 -1.365 1.00 0.22 C ATOM 724 C LEU A 47 -2.553 -3.829 -0.782 1.00 0.19 C ATOM 725 O LEU A 47 -3.085 -2.713 -0.787 1.00 0.22 O ATOM 726 CB LEU A 47 -1.153 -4.816 -2.676 1.00 0.28 C ATOM 727 CG LEU A 47 -1.735 -6.231 -2.599 1.00 0.62 C ATOM 728 CD1 LEU A 47 -3.105 -6.279 -3.232 1.00 1.07 C ATOM 729 CD2 LEU A 47 -0.810 -7.239 -3.258 1.00 1.01 C ATOM 0 H LEU A 47 0.016 -5.667 -0.821 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.756 -3.038 -1.541 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -1.721 -4.247 -3.413 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.129 -4.882 -3.044 1.00 0.28 H new ATOM 0 HG LEU A 47 -1.830 -6.497 -1.546 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -3.501 -7.293 -3.167 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -3.772 -5.595 -2.708 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -3.033 -5.984 -4.279 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -1.248 -8.235 -3.189 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -0.673 -6.975 -4.307 1.00 1.01 H new ATOM 0 HD23 LEU A 47 0.156 -7.232 -2.752 1.00 1.01 H new ATOM 741 N ALA A 48 -3.120 -4.894 -0.227 1.00 0.18 N ATOM 742 CA ALA A 48 -4.392 -4.808 0.473 1.00 0.17 C ATOM 743 C ALA A 48 -4.222 -4.042 1.771 1.00 0.14 C ATOM 744 O ALA A 48 -5.065 -3.237 2.153 1.00 0.16 O ATOM 745 CB ALA A 48 -4.934 -6.197 0.764 1.00 0.19 C ATOM 0 H ALA A 48 -2.715 -5.830 -0.250 1.00 0.18 H new ATOM 0 HA ALA A 48 -5.101 -4.280 -0.165 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.886 -6.114 1.288 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -5.081 -6.734 -0.173 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -4.224 -6.742 1.386 1.00 0.19 H new ATOM 751 N GLN A 49 -3.090 -4.289 2.408 1.00 0.13 N ATOM 752 CA GLN A 49 -2.788 -3.773 3.730 1.00 0.13 C ATOM 753 C GLN A 49 -2.768 -2.271 3.739 1.00 0.12 C ATOM 754 O GLN A 49 -3.333 -1.636 4.611 1.00 0.13 O ATOM 755 CB GLN A 49 -1.412 -4.266 4.170 1.00 0.15 C ATOM 756 CG GLN A 49 -0.905 -3.659 5.467 1.00 0.20 C ATOM 757 CD GLN A 49 -1.438 -4.355 6.711 1.00 0.33 C ATOM 758 OE1 GLN A 49 -0.764 -4.408 7.740 1.00 0.94 O ATOM 759 NE2 GLN A 49 -2.653 -4.880 6.636 1.00 1.35 N ATOM 0 H GLN A 49 -2.344 -4.863 2.014 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.565 -4.126 4.408 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.448 -5.350 4.282 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.694 -4.051 3.379 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.184 -3.699 5.476 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -1.186 -2.606 5.501 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -3.183 -4.817 5.767 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -3.058 -5.347 7.448 1.00 1.35 H new ATOM 768 N LEU A 50 -2.095 -1.727 2.762 1.00 0.12 N ATOM 769 CA LEU A 50 -1.923 -0.293 2.660 1.00 0.12 C ATOM 770 C LEU A 50 -3.281 0.410 2.578 1.00 0.12 C ATOM 771 O LEU A 50 -3.606 1.290 3.386 1.00 0.13 O ATOM 772 CB LEU A 50 -1.101 0.005 1.415 1.00 0.12 C ATOM 773 CG LEU A 50 0.350 -0.516 1.425 1.00 0.11 C ATOM 774 CD1 LEU A 50 1.016 -0.247 0.090 1.00 0.12 C ATOM 775 CD2 LEU A 50 1.138 0.129 2.543 1.00 0.13 C ATOM 0 H LEU A 50 -1.650 -2.258 2.014 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.408 0.078 3.546 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.614 -0.423 0.554 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -1.078 1.085 1.268 1.00 0.12 H new ATOM 0 HG LEU A 50 0.328 -1.593 1.594 1.00 0.11 H new ATOM 0 HD11 LEU A 50 2.040 -0.620 0.112 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.462 -0.753 -0.701 1.00 0.12 H new ATOM 0 HD13 LEU A 50 1.025 0.826 -0.102 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.160 -0.251 2.534 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.152 1.210 2.402 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.672 -0.106 3.500 1.00 0.13 H new ATOM 787 N VAL A 51 -4.097 -0.036 1.642 1.00 0.11 N ATOM 788 CA VAL A 51 -5.440 0.494 1.469 1.00 0.10 C ATOM 789 C VAL A 51 -6.295 0.224 2.715 1.00 0.10 C ATOM 790 O VAL A 51 -7.095 1.068 3.122 1.00 0.10 O ATOM 791 CB VAL A 51 -6.044 -0.118 0.209 1.00 0.11 C ATOM 792 CG1 VAL A 51 -7.327 -0.869 0.480 1.00 0.21 C ATOM 793 CG2 VAL A 51 -6.252 0.967 -0.826 1.00 0.18 C ATOM 0 H VAL A 51 -3.851 -0.773 0.981 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.406 1.577 1.349 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.341 -0.857 -0.174 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.711 -1.282 -0.453 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -7.133 -1.679 1.183 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -8.064 -0.188 0.905 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.684 0.532 -1.727 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -6.928 1.724 -0.429 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.294 1.427 -1.068 1.00 0.18 H new ATOM 803 N GLU A 52 -6.069 -0.931 3.338 1.00 0.11 N ATOM 804 CA GLU A 52 -6.816 -1.350 4.520 1.00 0.12 C ATOM 805 C GLU A 52 -6.421 -0.530 5.749 1.00 0.13 C ATOM 806 O GLU A 52 -7.275 0.027 6.441 1.00 0.16 O ATOM 807 CB GLU A 52 -6.554 -2.841 4.781 1.00 0.17 C ATOM 808 CG GLU A 52 -7.232 -3.394 6.024 1.00 0.50 C ATOM 809 CD GLU A 52 -6.956 -4.870 6.233 1.00 0.53 C ATOM 810 OE1 GLU A 52 -7.644 -5.702 5.605 1.00 0.74 O ATOM 811 OE2 GLU A 52 -6.043 -5.210 7.016 1.00 0.74 O ATOM 0 H GLU A 52 -5.362 -1.602 3.037 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.877 -1.184 4.335 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -6.889 -3.412 3.915 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.479 -2.998 4.869 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -6.891 -2.838 6.897 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -8.308 -3.237 5.946 1.00 0.50 H new ATOM 818 N GLU A 53 -5.120 -0.413 5.977 1.00 0.13 N ATOM 819 CA GLU A 53 -4.598 0.183 7.198 1.00 0.15 C ATOM 820 C GLU A 53 -4.769 1.692 7.188 1.00 0.16 C ATOM 821 O GLU A 53 -4.819 2.322 8.247 1.00 0.19 O ATOM 822 CB GLU A 53 -3.124 -0.199 7.396 1.00 0.19 C ATOM 823 CG GLU A 53 -2.448 0.534 8.546 1.00 0.24 C ATOM 824 CD GLU A 53 -1.165 -0.125 9.001 1.00 0.84 C ATOM 825 OE1 GLU A 53 -0.154 -0.045 8.276 1.00 1.51 O ATOM 826 OE2 GLU A 53 -1.163 -0.710 10.104 1.00 1.32 O ATOM 0 H GLU A 53 -4.401 -0.727 5.325 1.00 0.13 H new ATOM 0 HA GLU A 53 -5.171 -0.210 8.038 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -3.057 -1.273 7.573 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.578 0.007 6.475 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -2.234 1.558 8.240 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -3.138 0.591 9.388 1.00 0.24 H new ATOM 833 N ALA A 54 -4.889 2.268 5.996 1.00 0.16 N ATOM 834 CA ALA A 54 -5.011 3.713 5.869 1.00 0.18 C ATOM 835 C ALA A 54 -6.182 4.250 6.681 1.00 0.21 C ATOM 836 O ALA A 54 -6.058 5.271 7.345 1.00 0.30 O ATOM 837 CB ALA A 54 -5.166 4.097 4.412 1.00 0.24 C ATOM 0 H ALA A 54 -4.904 1.760 5.112 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.099 4.161 6.264 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.256 5.180 4.329 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.293 3.762 3.852 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -6.061 3.626 4.005 1.00 0.24 H new ATOM 843 N THR A 55 -7.320 3.574 6.633 1.00 0.25 N ATOM 844 CA THR A 55 -8.448 3.983 7.458 1.00 0.33 C ATOM 845 C THR A 55 -8.793 2.950 8.530 1.00 0.29 C ATOM 846 O THR A 55 -9.560 3.234 9.447 1.00 0.39 O ATOM 847 CB THR A 55 -9.682 4.280 6.595 1.00 0.51 C ATOM 848 OG1 THR A 55 -9.639 3.480 5.406 1.00 1.14 O ATOM 849 CG2 THR A 55 -9.744 5.754 6.226 1.00 1.66 C ATOM 0 H THR A 55 -7.487 2.757 6.045 1.00 0.25 H new ATOM 0 HA THR A 55 -8.143 4.896 7.969 1.00 0.33 H new ATOM 0 HB THR A 55 -10.575 4.035 7.169 1.00 0.51 H new ATOM 0 HG1 THR A 55 -10.545 3.377 5.048 1.00 1.14 H new ATOM 0 HG21 THR A 55 -10.627 5.939 5.614 1.00 1.66 H new ATOM 0 HG22 THR A 55 -9.799 6.354 7.134 1.00 1.66 H new ATOM 0 HG23 THR A 55 -8.850 6.026 5.665 1.00 1.66 H new ATOM 857 N GLY A 56 -8.206 1.763 8.430 1.00 0.25 N ATOM 858 CA GLY A 56 -8.536 0.701 9.363 1.00 0.26 C ATOM 859 C GLY A 56 -9.767 -0.058 8.919 1.00 0.29 C ATOM 860 O GLY A 56 -10.420 -0.737 9.712 1.00 0.34 O ATOM 0 H GLY A 56 -7.512 1.517 7.724 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.694 0.014 9.448 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -8.704 1.124 10.354 1.00 0.26 H new ATOM 864 N VAL A 57 -10.073 0.065 7.638 1.00 0.30 N ATOM 865 CA VAL A 57 -11.277 -0.509 7.064 1.00 0.36 C ATOM 866 C VAL A 57 -10.978 -1.890 6.470 1.00 0.29 C ATOM 867 O VAL A 57 -9.934 -2.098 5.863 1.00 0.26 O ATOM 868 CB VAL A 57 -11.862 0.449 5.995 1.00 0.50 C ATOM 869 CG1 VAL A 57 -10.841 0.764 4.924 1.00 1.62 C ATOM 870 CG2 VAL A 57 -13.122 -0.110 5.371 1.00 1.33 C ATOM 0 H VAL A 57 -9.492 0.567 6.966 1.00 0.30 H new ATOM 0 HA VAL A 57 -12.022 -0.638 7.849 1.00 0.36 H new ATOM 0 HB VAL A 57 -12.123 1.375 6.507 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -11.281 1.438 4.189 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -9.972 1.240 5.378 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -10.533 -0.159 4.432 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -13.501 0.591 4.627 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -12.899 -1.063 4.891 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -13.875 -0.261 6.144 1.00 1.33 H new ATOM 880 N PRO A 58 -11.886 -2.857 6.687 1.00 0.32 N ATOM 881 CA PRO A 58 -11.726 -4.257 6.245 1.00 0.34 C ATOM 882 C PRO A 58 -11.765 -4.444 4.727 1.00 0.31 C ATOM 883 O PRO A 58 -12.356 -3.654 3.986 1.00 0.27 O ATOM 884 CB PRO A 58 -12.936 -4.949 6.869 1.00 0.39 C ATOM 885 CG PRO A 58 -13.943 -3.863 6.948 1.00 0.39 C ATOM 886 CD PRO A 58 -13.163 -2.671 7.397 1.00 0.37 C ATOM 0 HA PRO A 58 -10.753 -4.648 6.544 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -13.286 -5.779 6.255 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -12.704 -5.356 7.853 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -14.417 -3.688 5.982 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.738 -4.107 7.653 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.651 -1.736 7.121 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -13.030 -2.654 8.479 1.00 0.37 H new ATOM 894 N LEU A 59 -11.143 -5.550 4.310 1.00 0.35 N ATOM 895 CA LEU A 59 -11.035 -5.977 2.913 1.00 0.36 C ATOM 896 C LEU A 59 -12.357 -5.899 2.125 1.00 0.36 C ATOM 897 O LEU A 59 -12.337 -5.461 0.981 1.00 0.37 O ATOM 898 CB LEU A 59 -10.480 -7.413 2.887 1.00 0.45 C ATOM 899 CG LEU A 59 -10.790 -8.249 1.641 1.00 1.21 C ATOM 900 CD1 LEU A 59 -9.908 -7.841 0.476 1.00 1.79 C ATOM 901 CD2 LEU A 59 -10.622 -9.731 1.943 1.00 2.08 C ATOM 0 H LEU A 59 -10.686 -6.193 4.956 1.00 0.35 H new ATOM 0 HA LEU A 59 -10.362 -5.281 2.412 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -9.397 -7.361 3.001 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -10.867 -7.943 3.757 1.00 0.45 H new ATOM 0 HG LEU A 59 -11.826 -8.064 1.358 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -10.150 -8.451 -0.394 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -10.078 -6.790 0.242 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -8.862 -7.989 0.743 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -10.846 -10.312 1.048 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -9.596 -9.925 2.254 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -11.304 -10.019 2.743 1.00 2.08 H new ATOM 913 N PRO A 60 -13.519 -6.324 2.681 1.00 0.38 N ATOM 914 CA PRO A 60 -14.792 -6.287 1.944 1.00 0.41 C ATOM 915 C PRO A 60 -15.299 -4.870 1.680 1.00 0.38 C ATOM 916 O PRO A 60 -16.142 -4.657 0.809 1.00 0.46 O ATOM 917 CB PRO A 60 -15.774 -7.035 2.853 1.00 0.47 C ATOM 918 CG PRO A 60 -14.922 -7.743 3.842 1.00 0.52 C ATOM 919 CD PRO A 60 -13.718 -6.876 4.027 1.00 0.42 C ATOM 0 HA PRO A 60 -14.677 -6.732 0.955 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -16.459 -6.345 3.345 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -16.383 -7.737 2.283 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -15.451 -7.886 4.784 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -14.641 -8.732 3.481 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -13.890 -6.093 4.766 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -12.853 -7.448 4.364 1.00 0.42 H new ATOM 927 N PHE A 61 -14.791 -3.901 2.433 1.00 0.33 N ATOM 928 CA PHE A 61 -15.282 -2.532 2.331 1.00 0.34 C ATOM 929 C PHE A 61 -14.478 -1.700 1.346 1.00 0.28 C ATOM 930 O PHE A 61 -14.964 -0.688 0.841 1.00 0.31 O ATOM 931 CB PHE A 61 -15.257 -1.860 3.692 1.00 0.37 C ATOM 932 CG PHE A 61 -16.559 -1.957 4.433 1.00 0.44 C ATOM 933 CD1 PHE A 61 -17.551 -1.010 4.238 1.00 0.66 C ATOM 934 CD2 PHE A 61 -16.795 -2.996 5.317 1.00 0.45 C ATOM 935 CE1 PHE A 61 -18.753 -1.096 4.913 1.00 0.77 C ATOM 936 CE2 PHE A 61 -17.995 -3.090 5.994 1.00 0.56 C ATOM 937 CZ PHE A 61 -18.976 -2.138 5.791 1.00 0.68 C ATOM 0 H PHE A 61 -14.045 -4.036 3.116 1.00 0.33 H new ATOM 0 HA PHE A 61 -16.306 -2.591 1.962 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.470 -2.311 4.296 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -14.998 -0.809 3.564 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -17.383 -0.195 3.550 1.00 0.66 H new ATOM 0 HD2 PHE A 61 -16.031 -3.742 5.479 1.00 0.45 H new ATOM 0 HE1 PHE A 61 -19.517 -0.349 4.754 1.00 0.77 H new ATOM 0 HE2 PHE A 61 -18.166 -3.906 6.681 1.00 0.56 H new ATOM 0 HZ PHE A 61 -19.916 -2.209 6.318 1.00 0.68 H new ATOM 947 N GLN A 62 -13.267 -2.126 1.048 1.00 0.22 N ATOM 948 CA GLN A 62 -12.455 -1.406 0.090 1.00 0.19 C ATOM 949 C GLN A 62 -12.210 -2.260 -1.144 1.00 0.19 C ATOM 950 O GLN A 62 -12.159 -3.484 -1.064 1.00 0.33 O ATOM 951 CB GLN A 62 -11.113 -0.978 0.680 1.00 0.19 C ATOM 952 CG GLN A 62 -10.274 -2.121 1.192 1.00 0.25 C ATOM 953 CD GLN A 62 -9.687 -1.854 2.550 1.00 0.40 C ATOM 954 OE1 GLN A 62 -9.410 -0.712 2.902 1.00 0.96 O ATOM 955 NE2 GLN A 62 -9.473 -2.909 3.309 1.00 0.29 N ATOM 0 H GLN A 62 -12.829 -2.955 1.449 1.00 0.22 H new ATOM 0 HA GLN A 62 -13.008 -0.507 -0.183 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.549 -0.439 -0.081 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -11.293 -0.279 1.497 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.886 -3.022 1.237 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.468 -2.318 0.486 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -9.721 -3.839 2.971 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -9.060 -2.796 4.235 1.00 0.29 H new ATOM 964 N LYS A 63 -12.077 -1.619 -2.283 1.00 0.19 N ATOM 965 CA LYS A 63 -11.663 -2.303 -3.492 1.00 0.18 C ATOM 966 C LYS A 63 -10.346 -1.690 -3.941 1.00 0.13 C ATOM 967 O LYS A 63 -10.328 -0.729 -4.708 1.00 0.14 O ATOM 968 CB LYS A 63 -12.745 -2.169 -4.576 1.00 0.26 C ATOM 969 CG LYS A 63 -12.727 -3.257 -5.648 1.00 1.14 C ATOM 970 CD LYS A 63 -11.501 -3.167 -6.543 1.00 1.68 C ATOM 971 CE LYS A 63 -11.597 -4.120 -7.726 1.00 2.52 C ATOM 972 NZ LYS A 63 -12.728 -3.778 -8.633 1.00 3.15 N ATOM 0 H LYS A 63 -12.250 -0.621 -2.400 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.527 -3.369 -3.308 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -13.723 -2.172 -4.094 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.632 -1.200 -5.062 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -12.753 -4.236 -5.169 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -13.626 -3.177 -6.259 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -11.390 -2.145 -6.907 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -10.608 -3.397 -5.962 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -10.663 -4.095 -8.287 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -11.722 -5.139 -7.360 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -12.584 -4.235 -9.556 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -13.620 -4.113 -8.217 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -12.771 -2.747 -8.761 1.00 3.15 H new ATOM 986 N LEU A 64 -9.245 -2.240 -3.447 1.00 0.12 N ATOM 987 CA LEU A 64 -7.936 -1.663 -3.680 1.00 0.10 C ATOM 988 C LEU A 64 -7.442 -2.024 -5.063 1.00 0.12 C ATOM 989 O LEU A 64 -7.309 -3.206 -5.408 1.00 0.14 O ATOM 990 CB LEU A 64 -6.953 -2.127 -2.582 1.00 0.11 C ATOM 991 CG LEU A 64 -5.441 -1.912 -2.815 1.00 0.13 C ATOM 992 CD1 LEU A 64 -4.823 -3.052 -3.608 1.00 0.48 C ATOM 993 CD2 LEU A 64 -5.168 -0.594 -3.512 1.00 0.51 C ATOM 0 H LEU A 64 -9.237 -3.088 -2.881 1.00 0.12 H new ATOM 0 HA LEU A 64 -8.005 -0.576 -3.630 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.223 -1.617 -1.657 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -7.116 -3.192 -2.418 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.976 -1.889 -1.829 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.759 -2.862 -3.750 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.955 -3.987 -3.064 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.311 -3.126 -4.580 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -4.095 -0.476 -3.660 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.671 -0.583 -4.479 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.542 0.226 -2.899 1.00 0.51 H new ATOM 1005 N ILE A 65 -7.224 -0.972 -5.839 1.00 0.12 N ATOM 1006 CA ILE A 65 -6.593 -1.046 -7.136 1.00 0.14 C ATOM 1007 C ILE A 65 -5.429 -0.068 -7.179 1.00 0.15 C ATOM 1008 O ILE A 65 -5.630 1.149 -7.107 1.00 0.16 O ATOM 1009 CB ILE A 65 -7.575 -0.599 -8.219 1.00 0.16 C ATOM 1010 CG1 ILE A 65 -8.867 -1.416 -8.169 1.00 0.17 C ATOM 1011 CG2 ILE A 65 -6.930 -0.688 -9.598 1.00 0.20 C ATOM 1012 CD1 ILE A 65 -9.901 -0.979 -9.186 1.00 1.20 C ATOM 0 H ILE A 65 -7.490 -0.024 -5.572 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.266 -2.072 -7.304 1.00 0.14 H new ATOM 0 HB ILE A 65 -7.835 0.442 -8.027 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -8.629 -2.467 -8.334 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.297 -1.339 -7.170 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -7.645 -0.366 -10.355 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.051 -0.044 -9.631 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.633 -1.718 -9.795 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -10.790 -1.603 -9.092 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -10.168 0.063 -9.009 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -9.490 -1.082 -10.190 1.00 1.20 H new ATOM 1024 N PHE A 66 -4.226 -0.586 -7.198 1.00 0.17 N ATOM 1025 CA PHE A 66 -3.055 0.202 -7.511 1.00 0.18 C ATOM 1026 C PHE A 66 -1.877 -0.706 -7.754 1.00 0.20 C ATOM 1027 O PHE A 66 -1.874 -1.822 -7.248 1.00 0.20 O ATOM 1028 CB PHE A 66 -2.755 1.287 -6.508 1.00 0.19 C ATOM 1029 CG PHE A 66 -2.762 2.655 -7.148 1.00 0.23 C ATOM 1030 CD1 PHE A 66 -1.976 2.932 -8.254 1.00 0.45 C ATOM 1031 CD2 PHE A 66 -3.544 3.672 -6.624 1.00 0.25 C ATOM 1032 CE1 PHE A 66 -1.971 4.189 -8.828 1.00 0.51 C ATOM 1033 CE2 PHE A 66 -3.544 4.933 -7.193 1.00 0.28 C ATOM 1034 CZ PHE A 66 -2.792 5.161 -8.359 1.00 0.36 C ATOM 0 H PHE A 66 -4.029 -1.566 -6.997 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.273 0.747 -8.429 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.493 1.256 -5.706 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.782 1.103 -6.053 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -1.357 2.153 -8.675 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -4.162 3.478 -5.760 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -1.309 4.399 -9.655 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -4.115 5.733 -6.747 1.00 0.28 H new ATOM 0 HZ PHE A 66 -2.868 6.105 -8.878 1.00 0.36 H new ATOM 1044 N LYS A 67 -0.959 -0.291 -8.614 1.00 0.22 N ATOM 1045 CA LYS A 67 0.297 -1.016 -8.877 1.00 0.25 C ATOM 1046 C LYS A 67 0.041 -2.383 -9.486 1.00 0.28 C ATOM 1047 O LYS A 67 0.826 -3.310 -9.298 1.00 0.32 O ATOM 1048 CB LYS A 67 1.223 -1.162 -7.620 1.00 0.25 C ATOM 1049 CG LYS A 67 0.563 -1.285 -6.225 1.00 0.18 C ATOM 1050 CD LYS A 67 1.519 -1.921 -5.212 1.00 0.21 C ATOM 1051 CE LYS A 67 0.929 -1.986 -3.811 1.00 0.18 C ATOM 1052 NZ LYS A 67 1.971 -1.837 -2.751 1.00 0.19 N ATOM 0 H LYS A 67 -1.056 0.565 -9.159 1.00 0.22 H new ATOM 0 HA LYS A 67 0.831 -0.394 -9.595 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.848 -2.042 -7.770 1.00 0.25 H new ATOM 0 HB3 LYS A 67 1.888 -0.299 -7.597 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.262 -0.298 -5.874 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.343 -1.886 -6.301 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.774 -2.928 -5.542 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.447 -1.350 -5.185 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.182 -1.200 -3.697 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.413 -2.937 -3.680 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.749 -2.468 -1.955 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.902 -2.087 -3.142 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 1.989 -0.852 -2.418 1.00 0.19 H new ATOM 1066 N GLY A 68 -1.041 -2.491 -10.255 1.00 0.31 N ATOM 1067 CA GLY A 68 -1.437 -3.775 -10.814 1.00 0.38 C ATOM 1068 C GLY A 68 -1.766 -4.763 -9.730 1.00 0.38 C ATOM 1069 O GLY A 68 -1.887 -5.966 -9.965 1.00 0.47 O ATOM 0 H GLY A 68 -1.651 -1.712 -10.501 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.303 -3.641 -11.462 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -0.632 -4.168 -11.435 1.00 0.38 H new ATOM 1073 N LYS A 69 -1.896 -4.229 -8.537 1.00 0.30 N ATOM 1074 CA LYS A 69 -2.265 -4.992 -7.381 1.00 0.33 C ATOM 1075 C LYS A 69 -3.678 -4.662 -6.997 1.00 0.24 C ATOM 1076 O LYS A 69 -4.045 -3.497 -6.835 1.00 0.23 O ATOM 1077 CB LYS A 69 -1.343 -4.704 -6.200 1.00 0.41 C ATOM 1078 CG LYS A 69 -0.161 -5.642 -6.094 1.00 0.62 C ATOM 1079 CD LYS A 69 0.822 -5.454 -7.223 1.00 0.58 C ATOM 1080 CE LYS A 69 2.011 -6.367 -7.049 1.00 0.44 C ATOM 1081 NZ LYS A 69 1.691 -7.777 -7.356 1.00 1.21 N ATOM 0 H LYS A 69 -1.745 -3.238 -8.347 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.176 -6.049 -7.632 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -0.975 -3.681 -6.282 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -1.922 -4.762 -5.279 1.00 0.41 H new ATOM 0 HG2 LYS A 69 0.346 -5.478 -5.143 1.00 0.62 H new ATOM 0 HG3 LYS A 69 -0.517 -6.672 -6.093 1.00 0.62 H new ATOM 0 HD2 LYS A 69 0.334 -5.661 -8.176 1.00 0.58 H new ATOM 0 HD3 LYS A 69 1.155 -4.416 -7.254 1.00 0.58 H new ATOM 0 HE2 LYS A 69 2.820 -6.032 -7.698 1.00 0.44 H new ATOM 0 HE3 LYS A 69 2.374 -6.295 -6.024 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 2.435 -8.394 -6.971 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 0.778 -8.027 -6.926 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 1.635 -7.904 -8.387 1.00 1.21 H new ATOM 1095 N SER A 70 -4.467 -5.682 -6.884 1.00 0.23 N ATOM 1096 CA SER A 70 -5.795 -5.540 -6.382 1.00 0.21 C ATOM 1097 C SER A 70 -5.895 -6.342 -5.095 1.00 0.23 C ATOM 1098 O SER A 70 -5.369 -7.447 -5.007 1.00 0.31 O ATOM 1099 CB SER A 70 -6.800 -5.989 -7.440 1.00 0.24 C ATOM 1100 OG SER A 70 -6.773 -5.114 -8.555 1.00 1.27 O ATOM 0 H SER A 70 -4.209 -6.636 -7.137 1.00 0.23 H new ATOM 0 HA SER A 70 -6.029 -4.499 -6.158 1.00 0.21 H new ATOM 0 HB2 SER A 70 -6.569 -7.004 -7.762 1.00 0.24 H new ATOM 0 HB3 SER A 70 -7.802 -6.011 -7.012 1.00 0.24 H new ATOM 0 HG SER A 70 -7.422 -5.417 -9.224 1.00 1.27 H new ATOM 1106 N LEU A 71 -6.561 -5.779 -4.101 1.00 0.19 N ATOM 1107 CA LEU A 71 -6.349 -6.202 -2.709 1.00 0.21 C ATOM 1108 C LEU A 71 -6.772 -7.635 -2.404 1.00 0.26 C ATOM 1109 O LEU A 71 -7.797 -8.129 -2.873 1.00 0.32 O ATOM 1110 CB LEU A 71 -7.067 -5.259 -1.741 1.00 0.23 C ATOM 1111 CG LEU A 71 -8.568 -5.512 -1.552 1.00 0.31 C ATOM 1112 CD1 LEU A 71 -9.112 -4.597 -0.479 1.00 1.34 C ATOM 1113 CD2 LEU A 71 -9.339 -5.320 -2.849 1.00 1.21 C ATOM 0 H LEU A 71 -7.248 -5.035 -4.220 1.00 0.19 H new ATOM 0 HA LEU A 71 -5.269 -6.159 -2.570 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.581 -5.329 -0.768 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.932 -4.236 -2.092 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.697 -6.550 -1.244 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -10.178 -4.782 -0.350 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -8.594 -4.790 0.460 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -8.957 -3.559 -0.773 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -10.398 -5.508 -2.674 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -9.206 -4.298 -3.204 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -8.966 -6.016 -3.600 1.00 1.21 H new ATOM 1125 N LYS A 72 -5.925 -8.275 -1.605 1.00 0.34 N ATOM 1126 CA LYS A 72 -6.174 -9.576 -1.008 1.00 0.46 C ATOM 1127 C LYS A 72 -5.069 -9.851 0.000 1.00 0.66 C ATOM 1128 O LYS A 72 -4.049 -9.161 -0.014 1.00 1.33 O ATOM 1129 CB LYS A 72 -6.209 -10.683 -2.061 1.00 0.47 C ATOM 1130 CG LYS A 72 -7.608 -11.185 -2.382 1.00 0.87 C ATOM 1131 CD LYS A 72 -7.604 -12.081 -3.606 1.00 1.37 C ATOM 1132 CE LYS A 72 -6.724 -13.302 -3.408 1.00 2.01 C ATOM 1133 NZ LYS A 72 -6.469 -14.004 -4.690 1.00 2.72 N ATOM 0 H LYS A 72 -5.017 -7.887 -1.349 1.00 0.34 H new ATOM 0 HA LYS A 72 -7.149 -9.565 -0.521 1.00 0.46 H new ATOM 0 HB2 LYS A 72 -5.747 -10.314 -2.977 1.00 0.47 H new ATOM 0 HB3 LYS A 72 -5.604 -11.521 -1.714 1.00 0.47 H new ATOM 0 HG2 LYS A 72 -8.005 -11.734 -1.528 1.00 0.87 H new ATOM 0 HG3 LYS A 72 -8.271 -10.337 -2.552 1.00 0.87 H new ATOM 0 HD2 LYS A 72 -8.623 -12.399 -3.827 1.00 1.37 H new ATOM 0 HD3 LYS A 72 -7.252 -11.516 -4.469 1.00 1.37 H new ATOM 0 HE2 LYS A 72 -5.776 -13.000 -2.963 1.00 2.01 H new ATOM 0 HE3 LYS A 72 -7.202 -13.986 -2.707 1.00 2.01 H new ATOM 0 HZ1 LYS A 72 -5.951 -14.887 -4.505 1.00 2.72 H new ATOM 0 HZ2 LYS A 72 -7.375 -14.224 -5.152 1.00 2.72 H new ATOM 0 HZ3 LYS A 72 -5.902 -13.394 -5.313 1.00 2.72 H new ATOM 1147 N GLU A 73 -5.250 -10.835 0.863 1.00 0.69 N ATOM 1148 CA GLU A 73 -4.242 -11.137 1.873 1.00 0.83 C ATOM 1149 C GLU A 73 -3.010 -11.761 1.223 1.00 0.82 C ATOM 1150 O GLU A 73 -1.878 -11.426 1.563 1.00 1.56 O ATOM 1151 CB GLU A 73 -4.807 -12.053 2.977 1.00 1.03 C ATOM 1152 CG GLU A 73 -5.231 -13.443 2.516 1.00 1.62 C ATOM 1153 CD GLU A 73 -6.382 -13.414 1.536 1.00 1.93 C ATOM 1154 OE1 GLU A 73 -7.540 -13.280 1.976 1.00 1.93 O ATOM 1155 OE2 GLU A 73 -6.130 -13.500 0.317 1.00 2.84 O ATOM 0 H GLU A 73 -6.075 -11.435 0.888 1.00 0.69 H new ATOM 0 HA GLU A 73 -3.947 -10.200 2.346 1.00 0.83 H new ATOM 0 HB2 GLU A 73 -4.054 -12.161 3.757 1.00 1.03 H new ATOM 0 HB3 GLU A 73 -5.667 -11.560 3.430 1.00 1.03 H new ATOM 0 HG2 GLU A 73 -4.379 -13.942 2.053 1.00 1.62 H new ATOM 0 HG3 GLU A 73 -5.515 -14.037 3.385 1.00 1.62 H new ATOM 1162 N MET A 74 -3.236 -12.650 0.268 1.00 0.58 N ATOM 1163 CA MET A 74 -2.147 -13.267 -0.474 1.00 0.54 C ATOM 1164 C MET A 74 -2.437 -13.193 -1.969 1.00 0.47 C ATOM 1165 O MET A 74 -2.815 -14.180 -2.600 1.00 0.61 O ATOM 1166 CB MET A 74 -1.932 -14.720 -0.017 1.00 0.62 C ATOM 1167 CG MET A 74 -3.182 -15.589 -0.073 1.00 1.44 C ATOM 1168 SD MET A 74 -2.872 -17.286 0.452 1.00 1.93 S ATOM 1169 CE MET A 74 -4.487 -18.018 0.197 1.00 2.96 C ATOM 0 H MET A 74 -4.166 -12.961 -0.012 1.00 0.58 H new ATOM 0 HA MET A 74 -1.225 -12.722 -0.274 1.00 0.54 H new ATOM 0 HB2 MET A 74 -1.161 -15.174 -0.640 1.00 0.62 H new ATOM 0 HB3 MET A 74 -1.554 -14.714 1.005 1.00 0.62 H new ATOM 0 HG2 MET A 74 -3.953 -15.151 0.562 1.00 1.44 H new ATOM 0 HG3 MET A 74 -3.572 -15.593 -1.091 1.00 1.44 H new ATOM 0 HE1 MET A 74 -4.458 -19.071 0.478 1.00 2.96 H new ATOM 0 HE2 MET A 74 -5.223 -17.499 0.811 1.00 2.96 H new ATOM 0 HE3 MET A 74 -4.764 -17.930 -0.853 1.00 2.96 H new ATOM 1179 N GLU A 75 -2.274 -12.004 -2.531 1.00 0.35 N ATOM 1180 CA GLU A 75 -2.673 -11.762 -3.901 1.00 0.33 C ATOM 1181 C GLU A 75 -1.516 -11.937 -4.897 1.00 0.30 C ATOM 1182 O GLU A 75 -1.093 -13.060 -5.177 1.00 0.49 O ATOM 1183 CB GLU A 75 -3.301 -10.369 -4.005 1.00 0.38 C ATOM 1184 CG GLU A 75 -3.915 -10.042 -5.363 1.00 0.92 C ATOM 1185 CD GLU A 75 -4.980 -11.031 -5.805 1.00 1.67 C ATOM 1186 OE1 GLU A 75 -4.697 -12.246 -5.822 1.00 2.03 O ATOM 1187 OE2 GLU A 75 -6.110 -10.609 -6.134 1.00 2.49 O ATOM 0 H GLU A 75 -1.869 -11.197 -2.057 1.00 0.35 H new ATOM 0 HA GLU A 75 -3.413 -12.514 -4.177 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -4.073 -10.276 -3.241 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -2.538 -9.624 -3.779 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -4.352 -9.044 -5.324 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -3.124 -10.014 -6.112 1.00 0.92 H new ATOM 1194 N THR A 76 -1.000 -10.830 -5.417 1.00 0.27 N ATOM 1195 CA THR A 76 -0.083 -10.880 -6.556 1.00 0.26 C ATOM 1196 C THR A 76 1.382 -10.612 -6.182 1.00 0.17 C ATOM 1197 O THR A 76 1.653 -9.927 -5.200 1.00 0.18 O ATOM 1198 CB THR A 76 -0.539 -9.913 -7.663 1.00 0.40 C ATOM 1199 OG1 THR A 76 -0.903 -8.646 -7.092 1.00 0.49 O ATOM 1200 CG2 THR A 76 -1.717 -10.494 -8.430 1.00 0.69 C ATOM 0 H THR A 76 -1.198 -9.890 -5.073 1.00 0.27 H new ATOM 0 HA THR A 76 -0.121 -11.904 -6.926 1.00 0.26 H new ATOM 0 HB THR A 76 0.289 -9.768 -8.356 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.190 -8.037 -7.804 1.00 0.49 H new ATOM 0 HG21 THR A 76 -2.025 -9.795 -9.208 1.00 0.69 H new ATOM 0 HG22 THR A 76 -1.423 -11.439 -8.886 1.00 0.69 H new ATOM 0 HG23 THR A 76 -2.548 -10.664 -7.746 1.00 0.69 H new ATOM 1208 N PRO A 77 2.327 -11.165 -6.988 1.00 0.19 N ATOM 1209 CA PRO A 77 3.788 -11.109 -6.795 1.00 0.18 C ATOM 1210 C PRO A 77 4.327 -9.961 -5.932 1.00 0.14 C ATOM 1211 O PRO A 77 4.059 -8.781 -6.180 1.00 0.16 O ATOM 1212 CB PRO A 77 4.271 -10.961 -8.229 1.00 0.30 C ATOM 1213 CG PRO A 77 3.310 -11.781 -9.035 1.00 0.36 C ATOM 1214 CD PRO A 77 2.037 -11.917 -8.221 1.00 0.28 C ATOM 0 HA PRO A 77 4.136 -11.982 -6.242 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.264 -9.918 -8.544 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.293 -11.322 -8.343 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.104 -11.301 -9.992 1.00 0.36 H new ATOM 0 HG3 PRO A 77 3.732 -12.762 -9.254 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.178 -11.503 -8.749 1.00 0.28 H new ATOM 0 HD3 PRO A 77 1.808 -12.961 -8.008 1.00 0.28 H new ATOM 1222 N LEU A 78 5.116 -10.355 -4.938 1.00 0.14 N ATOM 1223 CA LEU A 78 5.716 -9.459 -3.950 1.00 0.15 C ATOM 1224 C LEU A 78 6.753 -8.516 -4.553 1.00 0.16 C ATOM 1225 O LEU A 78 6.908 -7.387 -4.108 1.00 0.16 O ATOM 1226 CB LEU A 78 6.351 -10.280 -2.827 1.00 0.19 C ATOM 1227 CG LEU A 78 5.372 -11.131 -2.031 1.00 0.19 C ATOM 1228 CD1 LEU A 78 5.002 -12.401 -2.784 1.00 0.22 C ATOM 1229 CD2 LEU A 78 5.945 -11.479 -0.671 1.00 0.24 C ATOM 0 H LEU A 78 5.364 -11.333 -4.791 1.00 0.14 H new ATOM 0 HA LEU A 78 4.913 -8.836 -3.556 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.112 -10.931 -3.257 1.00 0.19 H new ATOM 0 HB3 LEU A 78 6.861 -9.602 -2.143 1.00 0.19 H new ATOM 0 HG LEU A 78 4.465 -10.543 -1.890 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.302 -12.986 -2.188 1.00 0.22 H new ATOM 0 HD12 LEU A 78 4.538 -12.138 -3.735 1.00 0.22 H new ATOM 0 HD13 LEU A 78 5.901 -12.989 -2.969 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.229 -12.088 -0.119 1.00 0.24 H new ATOM 0 HD22 LEU A 78 6.873 -12.037 -0.799 1.00 0.24 H new ATOM 0 HD23 LEU A 78 6.146 -10.563 -0.116 1.00 0.24 H new ATOM 1241 N SER A 79 7.489 -8.982 -5.542 1.00 0.18 N ATOM 1242 CA SER A 79 8.480 -8.135 -6.192 1.00 0.22 C ATOM 1243 C SER A 79 7.805 -6.918 -6.814 1.00 0.22 C ATOM 1244 O SER A 79 8.334 -5.810 -6.791 1.00 0.24 O ATOM 1245 CB SER A 79 9.244 -8.934 -7.246 1.00 0.27 C ATOM 1246 OG SER A 79 9.722 -10.151 -6.697 1.00 1.17 O ATOM 0 H SER A 79 7.425 -9.930 -5.913 1.00 0.18 H new ATOM 0 HA SER A 79 9.193 -7.785 -5.446 1.00 0.22 H new ATOM 0 HB2 SER A 79 8.593 -9.142 -8.095 1.00 0.27 H new ATOM 0 HB3 SER A 79 10.080 -8.345 -7.622 1.00 0.27 H new ATOM 0 HG SER A 79 10.208 -10.652 -7.385 1.00 1.17 H new ATOM 1252 N ALA A 80 6.624 -7.148 -7.357 1.00 0.20 N ATOM 1253 CA ALA A 80 5.816 -6.104 -7.964 1.00 0.22 C ATOM 1254 C ALA A 80 5.063 -5.292 -6.906 1.00 0.18 C ATOM 1255 O ALA A 80 4.331 -4.362 -7.239 1.00 0.19 O ATOM 1256 CB ALA A 80 4.853 -6.706 -8.976 1.00 0.27 C ATOM 0 H ALA A 80 6.194 -8.072 -7.390 1.00 0.20 H new ATOM 0 HA ALA A 80 6.484 -5.418 -8.485 1.00 0.22 H new ATOM 0 HB1 ALA A 80 4.253 -5.913 -9.424 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.417 -7.218 -9.755 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.197 -7.418 -8.475 1.00 0.27 H new ATOM 1262 N LEU A 81 5.248 -5.647 -5.629 1.00 0.14 N ATOM 1263 CA LEU A 81 4.390 -5.177 -4.536 1.00 0.13 C ATOM 1264 C LEU A 81 4.592 -3.689 -4.205 1.00 0.12 C ATOM 1265 O LEU A 81 4.216 -3.241 -3.127 1.00 0.11 O ATOM 1266 CB LEU A 81 4.598 -6.018 -3.268 1.00 0.13 C ATOM 1267 CG LEU A 81 3.322 -6.536 -2.586 1.00 0.15 C ATOM 1268 CD1 LEU A 81 2.305 -5.428 -2.405 1.00 0.16 C ATOM 1269 CD2 LEU A 81 2.722 -7.673 -3.388 1.00 0.19 C ATOM 0 H LEU A 81 5.997 -6.269 -5.325 1.00 0.14 H new ATOM 0 HA LEU A 81 3.367 -5.297 -4.891 1.00 0.13 H new ATOM 0 HB2 LEU A 81 5.223 -6.874 -3.522 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.155 -5.420 -2.546 1.00 0.13 H new ATOM 0 HG LEU A 81 3.596 -6.904 -1.598 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.414 -5.827 -1.920 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.733 -4.639 -1.786 1.00 0.16 H new ATOM 0 HD13 LEU A 81 2.035 -5.019 -3.379 1.00 0.16 H new ATOM 0 HD21 LEU A 81 1.819 -8.030 -2.893 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.472 -7.320 -4.389 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.443 -8.488 -3.460 1.00 0.19 H new ATOM 1281 N GLY A 82 5.149 -2.902 -5.117 1.00 0.12 N ATOM 1282 CA GLY A 82 5.327 -1.499 -4.804 1.00 0.12 C ATOM 1283 C GLY A 82 6.742 -1.105 -4.456 1.00 0.11 C ATOM 1284 O GLY A 82 6.928 -0.294 -3.550 1.00 0.12 O ATOM 0 H GLY A 82 5.471 -3.197 -6.039 1.00 0.12 H new ATOM 0 HA2 GLY A 82 4.999 -0.906 -5.657 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.677 -1.242 -3.968 1.00 0.12 H new ATOM 1288 N MET A 83 7.749 -1.682 -5.128 1.00 0.13 N ATOM 1289 CA MET A 83 9.123 -1.265 -4.861 1.00 0.15 C ATOM 1290 C MET A 83 9.358 0.178 -5.335 1.00 0.15 C ATOM 1291 O MET A 83 9.843 0.456 -6.436 1.00 0.19 O ATOM 1292 CB MET A 83 10.116 -2.236 -5.535 1.00 0.20 C ATOM 1293 CG MET A 83 10.027 -2.312 -7.061 1.00 0.49 C ATOM 1294 SD MET A 83 8.423 -2.875 -7.672 1.00 0.97 S ATOM 1295 CE MET A 83 8.727 -2.901 -9.437 1.00 1.79 C ATOM 0 H MET A 83 7.641 -2.411 -5.833 1.00 0.13 H new ATOM 0 HA MET A 83 9.291 -1.293 -3.784 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.129 -1.941 -5.261 1.00 0.20 H new ATOM 0 HB3 MET A 83 9.954 -3.234 -5.128 1.00 0.20 H new ATOM 0 HG2 MET A 83 10.238 -1.327 -7.477 1.00 0.49 H new ATOM 0 HG3 MET A 83 10.802 -2.986 -7.427 1.00 0.49 H new ATOM 0 HE1 MET A 83 7.827 -3.229 -9.956 1.00 1.79 H new ATOM 0 HE2 MET A 83 8.996 -1.900 -9.775 1.00 1.79 H new ATOM 0 HE3 MET A 83 9.543 -3.589 -9.655 1.00 1.79 H new ATOM 1305 N GLN A 84 8.980 1.079 -4.451 1.00 0.14 N ATOM 1306 CA GLN A 84 9.249 2.504 -4.501 1.00 0.15 C ATOM 1307 C GLN A 84 8.873 2.956 -3.121 1.00 0.16 C ATOM 1308 O GLN A 84 8.400 2.099 -2.385 1.00 0.16 O ATOM 1309 CB GLN A 84 8.455 3.215 -5.598 1.00 0.16 C ATOM 1310 CG GLN A 84 7.081 2.626 -5.855 1.00 0.61 C ATOM 1311 CD GLN A 84 6.568 2.933 -7.248 1.00 1.08 C ATOM 1312 OE1 GLN A 84 6.771 2.161 -8.183 1.00 1.79 O ATOM 1313 NE2 GLN A 84 5.901 4.062 -7.395 1.00 1.61 N ATOM 0 H GLN A 84 8.442 0.819 -3.624 1.00 0.14 H new ATOM 0 HA GLN A 84 10.282 2.738 -4.758 1.00 0.15 H new ATOM 0 HB2 GLN A 84 8.343 4.265 -5.327 1.00 0.16 H new ATOM 0 HB3 GLN A 84 9.029 3.185 -6.524 1.00 0.16 H new ATOM 0 HG2 GLN A 84 7.121 1.546 -5.716 1.00 0.61 H new ATOM 0 HG3 GLN A 84 6.379 3.016 -5.119 1.00 0.61 H new ATOM 0 HE21 GLN A 84 5.754 4.676 -6.594 1.00 1.61 H new ATOM 0 HE22 GLN A 84 5.532 4.321 -8.310 1.00 1.61 H new ATOM 1322 N ASN A 85 9.072 4.203 -2.694 1.00 0.17 N ATOM 1323 CA ASN A 85 8.512 4.528 -1.380 1.00 0.17 C ATOM 1324 C ASN A 85 7.026 4.220 -1.449 1.00 0.16 C ATOM 1325 O ASN A 85 6.284 4.891 -2.126 1.00 0.18 O ATOM 1326 CB ASN A 85 8.738 5.999 -0.936 1.00 0.19 C ATOM 1327 CG ASN A 85 7.980 7.043 -1.749 1.00 0.28 C ATOM 1328 OD1 ASN A 85 6.913 7.495 -1.350 1.00 1.22 O ATOM 1329 ND2 ASN A 85 8.512 7.432 -2.887 1.00 0.99 N ATOM 0 H ASN A 85 9.570 4.946 -3.184 1.00 0.17 H new ATOM 0 HA ASN A 85 9.027 3.930 -0.629 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.448 6.095 0.110 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.804 6.220 -0.993 1.00 0.19 H new ATOM 0 HD21 ASN A 85 8.035 8.127 -3.462 1.00 0.99 H new ATOM 0 HD22 ASN A 85 9.401 7.039 -3.195 1.00 0.99 H new ATOM 1336 N GLY A 86 6.649 3.157 -0.760 1.00 0.15 N ATOM 1337 CA GLY A 86 5.278 2.690 -0.637 1.00 0.14 C ATOM 1338 C GLY A 86 4.515 2.408 -1.939 1.00 0.12 C ATOM 1339 O GLY A 86 3.651 1.529 -1.956 1.00 0.13 O ATOM 0 H GLY A 86 7.314 2.573 -0.252 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.284 1.775 -0.044 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.717 3.433 -0.071 1.00 0.14 H new ATOM 1343 N CYS A 87 4.861 3.101 -3.023 1.00 0.11 N ATOM 1344 CA CYS A 87 4.113 3.059 -4.277 1.00 0.12 C ATOM 1345 C CYS A 87 2.754 3.745 -4.111 1.00 0.12 C ATOM 1346 O CYS A 87 2.629 4.743 -3.394 1.00 0.17 O ATOM 1347 CB CYS A 87 3.915 1.625 -4.725 1.00 0.23 C ATOM 1348 SG CYS A 87 3.557 1.421 -6.485 1.00 0.94 S ATOM 0 H CYS A 87 5.676 3.713 -3.055 1.00 0.11 H new ATOM 0 HA CYS A 87 4.686 3.591 -5.037 1.00 0.12 H new ATOM 0 HB2 CYS A 87 4.813 1.057 -4.483 1.00 0.23 H new ATOM 0 HB3 CYS A 87 3.098 1.189 -4.150 1.00 0.23 H new ATOM 0 HG CYS A 87 4.479 0.687 -7.033 1.00 0.94 H new ATOM 1354 N ARG A 88 1.742 3.221 -4.790 1.00 0.12 N ATOM 1355 CA ARG A 88 0.393 3.757 -4.697 1.00 0.13 C ATOM 1356 C ARG A 88 -0.593 2.609 -4.484 1.00 0.12 C ATOM 1357 O ARG A 88 -0.338 1.496 -4.937 1.00 0.15 O ATOM 1358 CB ARG A 88 0.022 4.530 -5.972 1.00 0.19 C ATOM 1359 CG ARG A 88 1.102 5.480 -6.476 1.00 0.82 C ATOM 1360 CD ARG A 88 2.021 4.805 -7.490 1.00 0.41 C ATOM 1361 NE ARG A 88 1.341 4.538 -8.759 1.00 0.90 N ATOM 1362 CZ ARG A 88 1.546 3.451 -9.508 1.00 1.29 C ATOM 1363 NH1 ARG A 88 2.397 2.513 -9.109 1.00 1.26 N ATOM 1364 NH2 ARG A 88 0.897 3.304 -10.656 1.00 2.07 N ATOM 0 H ARG A 88 1.833 2.420 -5.415 1.00 0.12 H new ATOM 0 HA ARG A 88 0.347 4.446 -3.854 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.210 3.814 -6.760 1.00 0.19 H new ATOM 0 HB3 ARG A 88 -0.887 5.102 -5.783 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.635 6.352 -6.933 1.00 0.82 H new ATOM 0 HG3 ARG A 88 1.692 5.840 -5.633 1.00 0.82 H new ATOM 0 HD2 ARG A 88 2.888 5.440 -7.671 1.00 0.41 H new ATOM 0 HD3 ARG A 88 2.392 3.868 -7.074 1.00 0.41 H new ATOM 0 HE ARG A 88 0.667 5.227 -9.093 1.00 0.90 H new ATOM 0 HH11 ARG A 88 2.898 2.621 -8.227 1.00 1.26 H new ATOM 0 HH12 ARG A 88 2.550 1.685 -9.685 1.00 1.26 H new ATOM 0 HH21 ARG A 88 0.241 4.021 -10.967 1.00 2.07 H new ATOM 0 HH22 ARG A 88 1.054 2.474 -11.228 1.00 2.07 H new ATOM 1378 N VAL A 89 -1.676 2.879 -3.753 1.00 0.11 N ATOM 1379 CA VAL A 89 -2.781 1.929 -3.552 1.00 0.11 C ATOM 1380 C VAL A 89 -4.083 2.680 -3.315 1.00 0.11 C ATOM 1381 O VAL A 89 -4.253 3.337 -2.289 1.00 0.12 O ATOM 1382 CB VAL A 89 -2.550 0.980 -2.353 1.00 0.13 C ATOM 1383 CG1 VAL A 89 -1.563 -0.119 -2.697 1.00 0.20 C ATOM 1384 CG2 VAL A 89 -2.079 1.755 -1.137 1.00 0.18 C ATOM 0 H VAL A 89 -1.816 3.771 -3.278 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.832 1.328 -4.460 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.505 0.510 -2.117 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.424 -0.767 -1.832 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -1.947 -0.705 -3.532 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.607 0.325 -2.975 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.923 1.068 -0.306 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.143 2.262 -1.369 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.833 2.493 -0.861 1.00 0.18 H new ATOM 1394 N MET A 90 -5.007 2.623 -4.251 1.00 0.11 N ATOM 1395 CA MET A 90 -6.279 3.276 -4.007 1.00 0.12 C ATOM 1396 C MET A 90 -7.453 2.331 -4.118 1.00 0.12 C ATOM 1397 O MET A 90 -7.573 1.546 -5.053 1.00 0.13 O ATOM 1398 CB MET A 90 -6.479 4.545 -4.820 1.00 0.16 C ATOM 1399 CG MET A 90 -7.442 4.415 -5.983 1.00 0.68 C ATOM 1400 SD MET A 90 -7.664 5.968 -6.873 1.00 1.30 S ATOM 1401 CE MET A 90 -8.836 5.472 -8.131 1.00 1.92 C ATOM 0 H MET A 90 -4.912 2.153 -5.151 1.00 0.11 H new ATOM 0 HA MET A 90 -6.237 3.599 -2.967 1.00 0.12 H new ATOM 0 HB2 MET A 90 -6.839 5.331 -4.156 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.512 4.869 -5.203 1.00 0.16 H new ATOM 0 HG2 MET A 90 -7.074 3.655 -6.672 1.00 0.68 H new ATOM 0 HG3 MET A 90 -8.408 4.070 -5.614 1.00 0.68 H new ATOM 0 HE1 MET A 90 -8.606 5.985 -9.065 1.00 1.92 H new ATOM 0 HE2 MET A 90 -8.772 4.395 -8.284 1.00 1.92 H new ATOM 0 HE3 MET A 90 -9.845 5.733 -7.812 1.00 1.92 H new ATOM 1411 N LEU A 91 -8.297 2.408 -3.129 1.00 0.12 N ATOM 1412 CA LEU A 91 -9.446 1.547 -3.017 1.00 0.12 C ATOM 1413 C LEU A 91 -10.704 2.317 -3.351 1.00 0.14 C ATOM 1414 O LEU A 91 -10.904 3.444 -2.887 1.00 0.15 O ATOM 1415 CB LEU A 91 -9.532 0.903 -1.615 1.00 0.11 C ATOM 1416 CG LEU A 91 -9.745 1.823 -0.382 1.00 0.12 C ATOM 1417 CD1 LEU A 91 -8.910 3.081 -0.455 1.00 0.15 C ATOM 1418 CD2 LEU A 91 -11.217 2.168 -0.186 1.00 0.14 C ATOM 0 H LEU A 91 -8.208 3.079 -2.366 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.340 0.733 -3.735 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.348 0.181 -1.633 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.612 0.341 -1.453 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.409 1.256 0.486 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -9.094 3.691 0.429 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.854 2.815 -0.499 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -9.179 3.645 -1.348 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.327 2.813 0.686 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.590 2.686 -1.070 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.788 1.252 -0.034 1.00 0.14 H new ATOM 1430 N ILE A 92 -11.535 1.742 -4.183 1.00 0.18 N ATOM 1431 CA ILE A 92 -12.786 2.373 -4.489 1.00 0.23 C ATOM 1432 C ILE A 92 -13.926 1.600 -3.872 1.00 0.23 C ATOM 1433 O ILE A 92 -14.215 0.468 -4.245 1.00 0.26 O ATOM 1434 CB ILE A 92 -13.011 2.518 -6.009 1.00 0.31 C ATOM 1435 CG1 ILE A 92 -11.844 3.270 -6.653 1.00 0.42 C ATOM 1436 CG2 ILE A 92 -14.327 3.230 -6.290 1.00 0.37 C ATOM 1437 CD1 ILE A 92 -11.930 3.349 -8.163 1.00 0.51 C ATOM 0 H ILE A 92 -11.369 0.852 -4.652 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.752 3.377 -4.065 1.00 0.23 H new ATOM 0 HB ILE A 92 -13.062 1.521 -6.446 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.806 4.281 -6.247 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.911 2.780 -6.376 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.468 3.323 -7.367 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -15.150 2.655 -5.865 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.307 4.223 -5.840 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -11.069 3.896 -8.548 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -11.937 2.342 -8.580 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -12.846 3.866 -8.449 1.00 0.51 H new ATOM 1449 N GLY A 93 -14.552 2.231 -2.910 1.00 0.24 N ATOM 1450 CA GLY A 93 -15.686 1.647 -2.242 1.00 0.28 C ATOM 1451 C GLY A 93 -16.028 2.430 -1.007 1.00 0.30 C ATOM 1452 O GLY A 93 -16.809 3.379 -1.063 1.00 0.45 O ATOM 0 H GLY A 93 -14.292 3.157 -2.571 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.542 1.627 -2.916 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.466 0.613 -1.975 1.00 0.28 H new ATOM 1456 N GLU A 94 -15.421 2.059 0.104 1.00 0.25 N ATOM 1457 CA GLU A 94 -15.601 2.790 1.336 1.00 0.26 C ATOM 1458 C GLU A 94 -14.345 2.703 2.196 1.00 0.24 C ATOM 1459 O GLU A 94 -13.715 1.652 2.291 1.00 0.35 O ATOM 1460 CB GLU A 94 -16.811 2.243 2.089 1.00 0.32 C ATOM 1461 CG GLU A 94 -17.176 3.051 3.320 1.00 0.98 C ATOM 1462 CD GLU A 94 -17.301 4.530 3.016 1.00 1.53 C ATOM 1463 OE1 GLU A 94 -18.377 4.964 2.558 1.00 2.02 O ATOM 1464 OE2 GLU A 94 -16.318 5.267 3.229 1.00 2.17 O ATOM 0 H GLU A 94 -14.799 1.254 0.175 1.00 0.25 H new ATOM 0 HA GLU A 94 -15.778 3.840 1.104 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -17.667 2.217 1.415 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.609 1.214 2.387 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -18.118 2.684 3.727 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -16.417 2.902 4.088 1.00 0.98 H new ATOM 1471 N LYS A 95 -13.970 3.821 2.795 1.00 0.25 N ATOM 1472 CA LYS A 95 -12.875 3.849 3.739 1.00 0.26 C ATOM 1473 C LYS A 95 -13.415 4.053 5.143 1.00 0.39 C ATOM 1474 O LYS A 95 -13.155 5.079 5.775 1.00 0.48 O ATOM 1475 CB LYS A 95 -11.870 4.948 3.395 1.00 0.28 C ATOM 1476 CG LYS A 95 -10.738 4.470 2.507 1.00 0.27 C ATOM 1477 CD LYS A 95 -9.560 5.428 2.517 1.00 0.55 C ATOM 1478 CE LYS A 95 -8.288 4.693 2.138 1.00 0.35 C ATOM 1479 NZ LYS A 95 -8.058 3.535 3.044 1.00 1.19 N ATOM 0 H LYS A 95 -14.414 4.726 2.640 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.353 2.894 3.685 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.392 5.765 2.898 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.453 5.351 4.318 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -10.407 3.486 2.840 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -11.102 4.355 1.486 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -9.739 6.245 1.818 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.451 5.873 3.506 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -8.356 4.346 1.107 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -7.439 5.375 2.189 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -7.057 3.256 3.004 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -8.304 3.802 4.018 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -8.652 2.736 2.744 1.00 1.19 H new ATOM 1493 N SER A 96 -14.184 3.080 5.611 1.00 0.46 N ATOM 1494 CA SER A 96 -14.781 3.150 6.940 1.00 0.65 C ATOM 1495 C SER A 96 -13.715 3.311 8.025 1.00 0.80 C ATOM 1496 O SER A 96 -12.800 2.494 8.142 1.00 0.99 O ATOM 1497 CB SER A 96 -15.615 1.898 7.207 1.00 0.74 C ATOM 1498 OG SER A 96 -16.662 1.772 6.260 1.00 1.30 O ATOM 0 H SER A 96 -14.410 2.232 5.091 1.00 0.46 H new ATOM 0 HA SER A 96 -15.426 4.028 6.971 1.00 0.65 H new ATOM 0 HB2 SER A 96 -14.976 1.016 7.167 1.00 0.74 H new ATOM 0 HB3 SER A 96 -16.033 1.943 8.213 1.00 0.74 H new ATOM 0 HG SER A 96 -16.641 0.875 5.867 1.00 1.30 H new ATOM 1504 N ASN A 97 -13.830 4.381 8.798 1.00 1.03 N ATOM 1505 CA ASN A 97 -12.926 4.626 9.909 1.00 1.27 C ATOM 1506 C ASN A 97 -13.732 5.041 11.131 1.00 1.85 C ATOM 1507 O ASN A 97 -14.644 5.886 10.987 1.00 2.21 O ATOM 1508 CB ASN A 97 -11.867 5.689 9.556 1.00 1.62 C ATOM 1509 CG ASN A 97 -12.386 7.119 9.581 1.00 1.97 C ATOM 1510 OD1 ASN A 97 -12.295 7.808 10.599 1.00 2.51 O ATOM 1511 ND2 ASN A 97 -12.923 7.579 8.464 1.00 2.63 N ATOM 1512 OXT ASN A 97 -13.475 4.501 12.222 1.00 2.58 O ATOM 0 H ASN A 97 -14.546 5.097 8.674 1.00 1.03 H new ATOM 0 HA ASN A 97 -12.387 3.705 10.130 1.00 1.27 H new ATOM 0 HB2 ASN A 97 -11.036 5.604 10.256 1.00 1.62 H new ATOM 0 HB3 ASN A 97 -11.471 5.475 8.563 1.00 1.62 H new ATOM 0 HD21 ASN A 97 -13.279 8.534 8.425 1.00 2.63 H new ATOM 0 HD22 ASN A 97 -12.981 6.979 7.641 1.00 2.63 H new TER 1519 ASN A 97