USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 636 hydrogens (7 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 NoAdj-H: A 15 HIP H2 : A 15 HIP N : A 14 ILE C :(H bumps) USER MOD Set 1.1: A 34 ASN : amide:sc= -0.8 K(o=-2,f=-6.2!) USER MOD Set 1.2: A 43 ASN : amide:sc= -1.16 K(o=-2,f=-6.5!) USER MOD Single : A 3 GLN : amide:sc= -0.0439 K(o=-0.044,f=-0.92) USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -0.026 (180deg=-0.335) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0763 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 20 THR OG1 : rot 75:sc= 0.421 USER MOD Single : A 24 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.93) USER MOD Single : A 25 THR OG1 : rot 78:sc= 0.385 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 153:sc= -3.25! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.054) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -57:sc= 0.711 USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= 0.273 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -63:sc= 0.494 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 52:sc= 0.0161 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0743 K(o=-0.074,f=-1.6) USER MOD Single : A 75 ASN : amide:sc= -4.29! C(o=-4.3!,f=-5.2!) USER MOD Single : A 80 THR OG1 : rot 74:sc= 0.275 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -69:sc= 0.85 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.657 -9.185 -10.061 1.00 0.00 N ATOM 2 CA ALA A 2 -6.901 -8.817 -8.638 1.00 0.00 C ATOM 3 C ALA A 2 -6.159 -7.519 -8.310 1.00 0.00 C ATOM 4 O ALA A 2 -6.583 -6.749 -7.470 1.00 0.00 O ATOM 5 CB ALA A 2 -6.393 -9.938 -7.726 1.00 0.00 C ATOM 0 HA ALA A 2 -7.970 -8.674 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.571 -9.669 -6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.921 -10.863 -7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.324 -10.081 -7.886 1.00 0.00 H new ATOM 13 N GLN A 3 -5.054 -7.268 -8.971 1.00 0.00 N ATOM 14 CA GLN A 3 -4.267 -6.019 -8.706 1.00 0.00 C ATOM 15 C GLN A 3 -5.176 -4.786 -8.778 1.00 0.00 C ATOM 16 O GLN A 3 -6.180 -4.783 -9.466 1.00 0.00 O ATOM 17 CB GLN A 3 -3.157 -5.883 -9.752 1.00 0.00 C ATOM 18 CG GLN A 3 -3.750 -6.025 -11.156 1.00 0.00 C ATOM 19 CD GLN A 3 -3.019 -5.089 -12.120 1.00 0.00 C ATOM 20 OE1 GLN A 3 -1.873 -4.746 -11.901 1.00 0.00 O ATOM 21 NE2 GLN A 3 -3.636 -4.658 -13.186 1.00 0.00 N ATOM 0 H GLN A 3 -4.660 -7.878 -9.687 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.835 -6.085 -7.708 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.665 -4.915 -9.651 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.396 -6.646 -9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.660 -7.056 -11.497 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.813 -5.787 -11.138 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.597 -4.945 -13.370 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.157 -4.034 -13.835 1.00 0.00 H new ATOM 30 N LYS A 4 -4.826 -3.744 -8.068 1.00 0.00 N ATOM 31 CA LYS A 4 -5.662 -2.507 -8.084 1.00 0.00 C ATOM 32 C LYS A 4 -4.752 -1.274 -8.082 1.00 0.00 C ATOM 33 O LYS A 4 -3.561 -1.372 -7.852 1.00 0.00 O ATOM 34 CB LYS A 4 -6.567 -2.488 -6.841 1.00 0.00 C ATOM 35 CG LYS A 4 -8.032 -2.349 -7.267 1.00 0.00 C ATOM 36 CD LYS A 4 -8.920 -3.157 -6.319 1.00 0.00 C ATOM 37 CE LYS A 4 -10.389 -2.875 -6.633 1.00 0.00 C ATOM 38 NZ LYS A 4 -10.699 -3.332 -8.016 1.00 0.00 N ATOM 0 H LYS A 4 -3.996 -3.697 -7.477 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.280 -2.494 -8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.431 -3.405 -6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.288 -1.660 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.328 -1.300 -7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.159 -2.702 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.712 -4.221 -6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.701 -2.893 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.030 -3.389 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.594 -1.809 -6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.730 -3.379 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.296 -2.662 -8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.288 -4.275 -8.170 1.00 0.00 H new ATOM 52 N THR A 5 -5.309 -0.117 -8.338 1.00 0.00 N ATOM 53 CA THR A 5 -4.488 1.130 -8.353 1.00 0.00 C ATOM 54 C THR A 5 -4.897 2.020 -7.178 1.00 0.00 C ATOM 55 O THR A 5 -6.030 1.993 -6.734 1.00 0.00 O ATOM 56 CB THR A 5 -4.724 1.879 -9.666 1.00 0.00 C ATOM 57 OG1 THR A 5 -4.518 0.994 -10.759 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.750 3.054 -9.768 1.00 0.00 C ATOM 0 H THR A 5 -6.300 0.017 -8.538 1.00 0.00 H new ATOM 0 HA THR A 5 -3.432 0.873 -8.266 1.00 0.00 H new ATOM 0 HB THR A 5 -5.747 2.255 -9.691 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.671 1.472 -11.601 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.919 3.587 -10.704 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.910 3.733 -8.930 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.726 2.681 -9.743 1.00 0.00 H new ATOM 66 N PHE A 6 -3.982 2.808 -6.673 1.00 0.00 N ATOM 67 CA PHE A 6 -4.309 3.704 -5.525 1.00 0.00 C ATOM 68 C PHE A 6 -3.621 5.058 -5.721 1.00 0.00 C ATOM 69 O PHE A 6 -2.551 5.142 -6.293 1.00 0.00 O ATOM 70 CB PHE A 6 -3.811 3.070 -4.224 1.00 0.00 C ATOM 71 CG PHE A 6 -4.665 1.872 -3.882 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.380 0.624 -4.448 1.00 0.00 C ATOM 73 CD2 PHE A 6 -5.736 2.009 -2.992 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.169 -0.488 -4.124 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.525 0.898 -2.669 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.240 -0.351 -3.234 1.00 0.00 C ATOM 0 H PHE A 6 -3.020 2.869 -7.008 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.389 3.846 -5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.769 2.767 -4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.850 3.799 -3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.553 0.518 -5.134 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.954 2.972 -2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.950 -1.451 -4.561 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.353 1.005 -1.984 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.847 -1.208 -2.983 1.00 0.00 H new ATOM 86 N LYS A 7 -4.227 6.113 -5.241 1.00 0.00 N ATOM 87 CA LYS A 7 -3.613 7.468 -5.385 1.00 0.00 C ATOM 88 C LYS A 7 -3.163 7.958 -4.008 1.00 0.00 C ATOM 89 O LYS A 7 -3.953 8.066 -3.091 1.00 0.00 O ATOM 90 CB LYS A 7 -4.643 8.442 -5.970 1.00 0.00 C ATOM 91 CG LYS A 7 -4.353 8.674 -7.455 1.00 0.00 C ATOM 92 CD LYS A 7 -3.430 9.887 -7.612 1.00 0.00 C ATOM 93 CE LYS A 7 -4.182 11.170 -7.238 1.00 0.00 C ATOM 94 NZ LYS A 7 -4.186 12.098 -8.404 1.00 0.00 N ATOM 0 H LYS A 7 -5.123 6.095 -4.754 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.755 7.415 -6.055 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.649 8.040 -5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.609 9.389 -5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.885 7.789 -7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.284 8.840 -7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.553 9.771 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.072 9.952 -8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.205 10.933 -6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.706 11.647 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.696 12.969 -8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.207 12.333 -8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.658 11.641 -9.210 1.00 0.00 H new ATOM 108 N VAL A 8 -1.896 8.247 -3.861 1.00 0.00 N ATOM 109 CA VAL A 8 -1.380 8.724 -2.544 1.00 0.00 C ATOM 110 C VAL A 8 -1.537 10.243 -2.452 1.00 0.00 C ATOM 111 O VAL A 8 -1.073 10.976 -3.305 1.00 0.00 O ATOM 112 CB VAL A 8 0.100 8.358 -2.407 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.570 8.662 -0.984 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.294 6.865 -2.696 1.00 0.00 C ATOM 0 H VAL A 8 -1.195 8.173 -4.598 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.947 8.249 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 8 0.682 8.943 -3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.624 8.402 -0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.438 9.724 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.016 8.078 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.349 6.609 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.290 6.278 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.039 6.644 -3.710 1.00 0.00 H new ATOM 124 N THR A 9 -2.187 10.719 -1.418 1.00 0.00 N ATOM 125 CA THR A 9 -2.377 12.191 -1.258 1.00 0.00 C ATOM 126 C THR A 9 -2.299 12.568 0.226 1.00 0.00 C ATOM 127 O THR A 9 -2.803 13.598 0.634 1.00 0.00 O ATOM 128 CB THR A 9 -3.748 12.587 -1.811 1.00 0.00 C ATOM 129 OG1 THR A 9 -4.072 11.753 -2.914 1.00 0.00 O ATOM 130 CG2 THR A 9 -3.715 14.047 -2.266 1.00 0.00 C ATOM 0 H THR A 9 -2.594 10.148 -0.677 1.00 0.00 H new ATOM 0 HA THR A 9 -1.593 12.717 -1.803 1.00 0.00 H new ATOM 0 HB THR A 9 -4.501 12.468 -1.032 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.951 12.005 -3.268 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.692 14.328 -2.660 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.468 14.687 -1.419 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.962 14.169 -3.044 1.00 0.00 H new ATOM 138 N ALA A 10 -1.673 11.747 1.036 1.00 0.00 N ATOM 139 CA ALA A 10 -1.564 12.060 2.489 1.00 0.00 C ATOM 140 C ALA A 10 -0.475 13.113 2.704 1.00 0.00 C ATOM 141 O ALA A 10 0.526 13.129 2.013 1.00 0.00 O ATOM 142 CB ALA A 10 -1.204 10.789 3.260 1.00 0.00 C ATOM 0 H ALA A 10 -1.233 10.873 0.749 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.518 12.445 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.124 11.018 4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.980 10.039 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.251 10.403 2.900 1.00 0.00 H new ATOM 148 N ASP A 11 -0.662 13.990 3.661 1.00 0.00 N ATOM 149 CA ASP A 11 0.361 15.046 3.930 1.00 0.00 C ATOM 150 C ASP A 11 1.694 14.390 4.300 1.00 0.00 C ATOM 151 O ASP A 11 2.744 14.798 3.839 1.00 0.00 O ATOM 152 CB ASP A 11 -0.112 15.929 5.087 1.00 0.00 C ATOM 153 CG ASP A 11 -1.329 16.743 4.643 1.00 0.00 C ATOM 154 OD1 ASP A 11 -2.335 16.136 4.314 1.00 0.00 O ATOM 155 OD2 ASP A 11 -1.234 17.959 4.639 1.00 0.00 O ATOM 0 H ASP A 11 -1.481 14.019 4.268 1.00 0.00 H new ATOM 0 HA ASP A 11 0.495 15.656 3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.368 15.312 5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.691 16.597 5.401 1.00 0.00 H new ATOM 160 N SER A 12 1.655 13.374 5.124 1.00 0.00 N ATOM 161 CA SER A 12 2.913 12.679 5.525 1.00 0.00 C ATOM 162 C SER A 12 3.370 11.759 4.391 1.00 0.00 C ATOM 163 O SER A 12 4.548 11.504 4.225 1.00 0.00 O ATOM 164 CB SER A 12 2.659 11.847 6.782 1.00 0.00 C ATOM 165 OG SER A 12 1.405 11.188 6.662 1.00 0.00 O ATOM 0 H SER A 12 0.803 12.996 5.537 1.00 0.00 H new ATOM 0 HA SER A 12 3.687 13.419 5.729 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.456 11.116 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.663 12.488 7.664 1.00 0.00 H new ATOM 0 HG SER A 12 1.239 10.652 7.465 1.00 0.00 H new ATOM 171 N GLY A 13 2.444 11.258 3.612 1.00 0.00 N ATOM 172 CA GLY A 13 2.815 10.350 2.487 1.00 0.00 C ATOM 173 C GLY A 13 2.809 8.904 2.982 1.00 0.00 C ATOM 174 O GLY A 13 2.143 8.572 3.945 1.00 0.00 O ATOM 0 H GLY A 13 1.445 11.440 3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.111 10.467 1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.801 10.611 2.104 1.00 0.00 H new ATOM 178 N ILE A 14 3.547 8.041 2.329 1.00 0.00 N ATOM 179 CA ILE A 14 3.589 6.613 2.758 1.00 0.00 C ATOM 180 C ILE A 14 4.958 6.307 3.378 1.00 0.00 C ATOM 181 O ILE A 14 5.744 5.550 2.836 1.00 0.00 O ATOM 182 CB ILE A 14 3.355 5.710 1.544 1.00 0.00 C ATOM 183 CG1 ILE A 14 2.044 6.109 0.860 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.268 4.251 2.000 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.858 5.291 -0.421 1.00 0.00 C ATOM 0 H ILE A 14 4.122 8.266 1.517 1.00 0.00 H new ATOM 0 HA ILE A 14 2.810 6.429 3.498 1.00 0.00 H new ATOM 0 HB ILE A 14 4.182 5.822 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.205 5.941 1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.055 7.173 0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.101 3.609 1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.200 3.967 2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.441 4.138 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.924 5.578 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.690 5.482 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.827 4.230 -0.174 1.00 0.00 H new HETATM 197 N HIP A 15 5.249 6.897 4.510 1.00 0.00 N HETATM 198 CA HIP A 15 6.564 6.649 5.170 1.00 0.00 C HETATM 199 CB HIP A 15 7.049 7.928 5.890 1.00 0.00 C HETATM 200 CG HIP A 15 6.214 8.253 7.104 1.00 0.00 C HETATM 201 CD2 HIP A 15 4.868 8.456 7.263 1.00 0.00 C HETATM 202 NE2 HIP A 15 4.596 8.766 8.587 1.00 0.00 N HETATM 203 CE1 HIP A 15 5.772 8.748 9.208 1.00 0.00 C HETATM 204 ND1 HIP A 15 6.782 8.446 8.364 1.00 0.00 N HETATM 205 P HIP A 15 8.235 8.660 8.633 1.00 0.00 P HETATM 206 O1P HIP A 15 8.865 9.365 7.494 1.00 0.00 O HETATM 207 O2P HIP A 15 8.908 7.362 8.867 1.00 0.00 O HETATM 208 O3P HIP A 15 8.224 9.500 9.855 1.00 0.00 O HETATM 209 C HIP A 15 6.452 5.443 6.127 1.00 0.00 C HETATM 210 O HIP A 15 5.712 4.515 5.863 1.00 0.00 O HETATM 0 HE2 HIP A 15 3.684 8.966 8.999 1.00 0.00 H new HETATM 0 HE1 HIP A 15 5.905 8.952 10.270 1.00 0.00 H new HETATM 0 HD2 HIP A 15 4.124 8.385 6.469 1.00 0.00 H new HETATM 0 HB3 HIP A 15 8.089 7.801 6.190 1.00 0.00 H new HETATM 0 HB2 HIP A 15 7.018 8.767 5.195 1.00 0.00 H new HETATM 0 HA HIP A 15 7.313 6.401 4.418 1.00 0.00 H new HETATM 0 H HIP A 15 4.809 7.814 4.579 1.00 0.00 H new ATOM 218 N ALA A 16 7.202 5.423 7.204 1.00 0.00 N ATOM 219 CA ALA A 16 7.165 4.252 8.138 1.00 0.00 C ATOM 220 C ALA A 16 5.799 4.098 8.830 1.00 0.00 C ATOM 221 O ALA A 16 5.289 3.001 8.935 1.00 0.00 O ATOM 222 CB ALA A 16 8.248 4.426 9.202 1.00 0.00 C ATOM 0 H ALA A 16 7.840 6.170 7.477 1.00 0.00 H new ATOM 0 HA ALA A 16 7.339 3.353 7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.227 3.577 9.885 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.225 4.480 8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.066 5.345 9.759 1.00 0.00 H new ATOM 228 N ARG A 17 5.215 5.163 9.330 1.00 0.00 N ATOM 229 CA ARG A 17 3.894 5.039 10.043 1.00 0.00 C ATOM 230 C ARG A 17 2.860 4.282 9.177 1.00 0.00 C ATOM 231 O ARG A 17 2.312 3.290 9.623 1.00 0.00 O ATOM 232 CB ARG A 17 3.356 6.434 10.395 1.00 0.00 C ATOM 233 CG ARG A 17 2.956 6.481 11.877 1.00 0.00 C ATOM 234 CD ARG A 17 4.058 7.167 12.690 1.00 0.00 C ATOM 235 NE ARG A 17 4.230 6.458 13.990 1.00 0.00 N ATOM 236 CZ ARG A 17 5.423 6.303 14.496 1.00 0.00 C ATOM 237 NH1 ARG A 17 6.097 7.341 14.908 1.00 0.00 N ATOM 238 NH2 ARG A 17 5.943 5.110 14.587 1.00 0.00 N ATOM 0 H ARG A 17 5.591 6.110 9.277 1.00 0.00 H new ATOM 0 HA ARG A 17 4.055 4.469 10.958 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.115 7.189 10.190 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.495 6.670 9.769 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.016 7.021 11.993 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.791 5.471 12.251 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.995 7.159 12.132 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.800 8.211 12.864 1.00 0.00 H new ATOM 0 HE ARG A 17 3.415 6.094 14.484 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.692 8.274 14.835 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.029 7.220 15.303 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.417 4.298 14.263 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.875 4.989 14.982 1.00 0.00 H new ATOM 252 N PRO A 18 2.609 4.747 7.965 1.00 0.00 N ATOM 253 CA PRO A 18 1.638 4.082 7.077 1.00 0.00 C ATOM 254 C PRO A 18 2.208 2.753 6.570 1.00 0.00 C ATOM 255 O PRO A 18 1.471 1.855 6.208 1.00 0.00 O ATOM 256 CB PRO A 18 1.428 5.085 5.940 1.00 0.00 C ATOM 257 CG PRO A 18 2.667 6.005 5.940 1.00 0.00 C ATOM 258 CD PRO A 18 3.257 5.937 7.358 1.00 0.00 C ATOM 0 HA PRO A 18 0.700 3.831 7.572 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.324 4.573 4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.516 5.661 6.093 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.396 5.675 5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.392 7.028 5.682 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.342 5.831 7.333 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.038 6.842 7.924 1.00 0.00 H new ATOM 266 N ALA A 19 3.510 2.616 6.562 1.00 0.00 N ATOM 267 CA ALA A 19 4.129 1.339 6.105 1.00 0.00 C ATOM 268 C ALA A 19 3.893 0.253 7.164 1.00 0.00 C ATOM 269 O ALA A 19 3.930 -0.926 6.870 1.00 0.00 O ATOM 270 CB ALA A 19 5.632 1.544 5.907 1.00 0.00 C ATOM 0 H ALA A 19 4.171 3.336 6.853 1.00 0.00 H new ATOM 0 HA ALA A 19 3.679 1.031 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.086 0.611 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.798 2.317 5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.085 1.850 6.850 1.00 0.00 H new ATOM 276 N THR A 20 3.646 0.645 8.394 1.00 0.00 N ATOM 277 CA THR A 20 3.403 -0.353 9.472 1.00 0.00 C ATOM 278 C THR A 20 1.931 -0.766 9.448 1.00 0.00 C ATOM 279 O THR A 20 1.585 -1.886 9.772 1.00 0.00 O ATOM 280 CB THR A 20 3.731 0.271 10.830 1.00 0.00 C ATOM 281 OG1 THR A 20 4.760 1.237 10.669 1.00 0.00 O ATOM 282 CG2 THR A 20 4.196 -0.818 11.797 1.00 0.00 C ATOM 0 H THR A 20 3.603 1.619 8.693 1.00 0.00 H new ATOM 0 HA THR A 20 4.035 -1.226 9.312 1.00 0.00 H new ATOM 0 HB THR A 20 2.840 0.753 11.233 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.388 2.046 10.259 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.429 -0.371 12.763 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.404 -1.557 11.920 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.087 -1.303 11.398 1.00 0.00 H new ATOM 290 N VAL A 21 1.066 0.137 9.062 1.00 0.00 N ATOM 291 CA VAL A 21 -0.391 -0.186 9.009 1.00 0.00 C ATOM 292 C VAL A 21 -0.648 -1.152 7.857 1.00 0.00 C ATOM 293 O VAL A 21 -1.435 -2.073 7.961 1.00 0.00 O ATOM 294 CB VAL A 21 -1.193 1.091 8.760 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.682 0.805 8.956 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.751 2.184 9.739 1.00 0.00 C ATOM 0 H VAL A 21 1.307 1.087 8.780 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.694 -0.635 9.955 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.017 1.431 7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.254 1.716 8.778 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.000 0.034 8.254 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.855 0.461 9.976 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.327 3.091 9.556 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.921 1.847 10.762 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.309 2.392 9.597 1.00 0.00 H new ATOM 306 N LEU A 22 0.005 -0.924 6.755 1.00 0.00 N ATOM 307 CA LEU A 22 -0.184 -1.789 5.562 1.00 0.00 C ATOM 308 C LEU A 22 0.518 -3.134 5.763 1.00 0.00 C ATOM 309 O LEU A 22 -0.076 -4.178 5.581 1.00 0.00 O ATOM 310 CB LEU A 22 0.410 -1.073 4.354 1.00 0.00 C ATOM 311 CG LEU A 22 -0.442 0.152 4.024 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.238 0.953 2.914 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.824 -0.301 3.546 1.00 0.00 C ATOM 0 H LEU A 22 0.672 -0.163 6.629 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.246 -1.977 5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.436 -0.771 4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.445 -1.747 3.498 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.550 0.772 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.366 1.828 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.225 1.273 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.341 0.329 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.432 0.573 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.716 -0.919 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.309 -0.880 4.332 1.00 0.00 H new ATOM 325 N VAL A 23 1.779 -3.122 6.125 1.00 0.00 N ATOM 326 CA VAL A 23 2.527 -4.409 6.324 1.00 0.00 C ATOM 327 C VAL A 23 1.746 -5.338 7.269 1.00 0.00 C ATOM 328 O VAL A 23 1.814 -6.548 7.161 1.00 0.00 O ATOM 329 CB VAL A 23 3.917 -4.106 6.913 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.768 -3.444 8.287 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.721 -5.410 7.051 1.00 0.00 C ATOM 0 H VAL A 23 2.325 -2.277 6.292 1.00 0.00 H new ATOM 0 HA VAL A 23 2.642 -4.909 5.362 1.00 0.00 H new ATOM 0 HB VAL A 23 4.446 -3.427 6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.755 -3.232 8.698 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.211 -2.513 8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.232 -4.115 8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.704 -5.189 7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.192 -6.096 7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.839 -5.871 6.070 1.00 0.00 H new ATOM 341 N GLN A 24 1.006 -4.772 8.188 1.00 0.00 N ATOM 342 CA GLN A 24 0.217 -5.606 9.142 1.00 0.00 C ATOM 343 C GLN A 24 -0.995 -6.207 8.424 1.00 0.00 C ATOM 344 O GLN A 24 -1.354 -7.347 8.647 1.00 0.00 O ATOM 345 CB GLN A 24 -0.262 -4.730 10.305 1.00 0.00 C ATOM 346 CG GLN A 24 0.898 -4.465 11.275 1.00 0.00 C ATOM 347 CD GLN A 24 0.549 -5.002 12.667 1.00 0.00 C ATOM 348 OE1 GLN A 24 -0.595 -4.966 13.075 1.00 0.00 O ATOM 349 NE2 GLN A 24 1.494 -5.500 13.417 1.00 0.00 N ATOM 0 H GLN A 24 0.915 -3.765 8.318 1.00 0.00 H new ATOM 0 HA GLN A 24 0.845 -6.411 9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.651 -3.786 9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.080 -5.223 10.830 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.806 -4.944 10.909 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.101 -3.395 11.329 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.454 -5.530 13.074 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.272 -5.859 14.346 1.00 0.00 H new ATOM 358 N THR A 25 -1.630 -5.444 7.569 1.00 0.00 N ATOM 359 CA THR A 25 -2.827 -5.962 6.838 1.00 0.00 C ATOM 360 C THR A 25 -2.409 -7.083 5.882 1.00 0.00 C ATOM 361 O THR A 25 -2.812 -8.222 6.032 1.00 0.00 O ATOM 362 CB THR A 25 -3.467 -4.825 6.040 1.00 0.00 C ATOM 363 OG1 THR A 25 -3.707 -3.721 6.902 1.00 0.00 O ATOM 364 CG2 THR A 25 -4.790 -5.302 5.439 1.00 0.00 C ATOM 0 H THR A 25 -1.370 -4.483 7.346 1.00 0.00 H new ATOM 0 HA THR A 25 -3.545 -6.354 7.558 1.00 0.00 H new ATOM 0 HB THR A 25 -2.795 -4.521 5.237 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.868 -3.239 7.057 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.245 -4.491 4.871 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.605 -6.149 4.778 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.464 -5.607 6.239 1.00 0.00 H new ATOM 372 N ALA A 26 -1.609 -6.767 4.893 1.00 0.00 N ATOM 373 CA ALA A 26 -1.161 -7.802 3.910 1.00 0.00 C ATOM 374 C ALA A 26 -0.495 -8.979 4.634 1.00 0.00 C ATOM 375 O ALA A 26 -0.455 -10.083 4.125 1.00 0.00 O ATOM 376 CB ALA A 26 -0.156 -7.172 2.941 1.00 0.00 C ATOM 0 H ALA A 26 -1.245 -5.829 4.724 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.030 -8.171 3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.175 -7.921 2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.630 -6.345 2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.704 -6.801 3.499 1.00 0.00 H new ATOM 382 N SER A 27 0.027 -8.753 5.815 1.00 0.00 N ATOM 383 CA SER A 27 0.691 -9.858 6.570 1.00 0.00 C ATOM 384 C SER A 27 -0.325 -10.967 6.857 1.00 0.00 C ATOM 385 O SER A 27 -0.032 -12.139 6.713 1.00 0.00 O ATOM 386 CB SER A 27 1.239 -9.317 7.891 1.00 0.00 C ATOM 387 OG SER A 27 1.610 -10.406 8.727 1.00 0.00 O ATOM 0 H SER A 27 0.021 -7.849 6.288 1.00 0.00 H new ATOM 0 HA SER A 27 1.510 -10.261 5.974 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.101 -8.676 7.705 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.486 -8.703 8.386 1.00 0.00 H new ATOM 0 HG SER A 27 1.963 -10.063 9.574 1.00 0.00 H new ATOM 393 N LYS A 28 -1.515 -10.603 7.263 1.00 0.00 N ATOM 394 CA LYS A 28 -2.558 -11.629 7.562 1.00 0.00 C ATOM 395 C LYS A 28 -2.899 -12.410 6.289 1.00 0.00 C ATOM 396 O LYS A 28 -3.323 -13.548 6.349 1.00 0.00 O ATOM 397 CB LYS A 28 -3.819 -10.938 8.085 1.00 0.00 C ATOM 398 CG LYS A 28 -3.563 -10.407 9.499 1.00 0.00 C ATOM 399 CD LYS A 28 -4.360 -9.119 9.713 1.00 0.00 C ATOM 400 CE LYS A 28 -5.717 -9.455 10.334 1.00 0.00 C ATOM 401 NZ LYS A 28 -6.451 -8.194 10.638 1.00 0.00 N ATOM 0 H LYS A 28 -1.809 -9.636 7.400 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.177 -12.317 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.099 -10.119 7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.653 -11.639 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.854 -11.154 10.238 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.499 -10.217 9.640 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.808 -8.441 10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.501 -8.604 8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.300 -10.071 9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.578 -10.036 11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.374 -8.422 11.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.896 -7.622 11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.596 -7.656 9.760 1.00 0.00 H new ATOM 415 N TYR A 29 -2.721 -11.805 5.137 1.00 0.00 N ATOM 416 CA TYR A 29 -3.040 -12.512 3.861 1.00 0.00 C ATOM 417 C TYR A 29 -1.805 -13.265 3.367 1.00 0.00 C ATOM 418 O TYR A 29 -0.744 -12.694 3.195 1.00 0.00 O ATOM 419 CB TYR A 29 -3.475 -11.491 2.806 1.00 0.00 C ATOM 420 CG TYR A 29 -4.701 -10.762 3.298 1.00 0.00 C ATOM 421 CD1 TYR A 29 -5.972 -11.313 3.090 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.569 -9.539 3.967 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.110 -10.640 3.549 1.00 0.00 C ATOM 424 CE2 TYR A 29 -5.707 -8.867 4.428 1.00 0.00 C ATOM 425 CZ TYR A 29 -6.978 -9.418 4.218 1.00 0.00 C ATOM 426 OH TYR A 29 -8.100 -8.756 4.673 1.00 0.00 O ATOM 0 H TYR A 29 -2.369 -10.854 5.029 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.849 -13.222 4.034 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.669 -10.783 2.614 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.690 -11.994 1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.074 -12.257 2.575 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.589 -9.114 4.127 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.090 -11.064 3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.605 -7.924 4.945 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.862 -8.201 5.445 1.00 0.00 H new ATOM 436 N ASP A 30 -1.939 -14.546 3.136 1.00 0.00 N ATOM 437 CA ASP A 30 -0.782 -15.354 2.650 1.00 0.00 C ATOM 438 C ASP A 30 -0.442 -14.964 1.207 1.00 0.00 C ATOM 439 O ASP A 30 0.668 -15.164 0.753 1.00 0.00 O ATOM 440 CB ASP A 30 -1.139 -16.842 2.705 1.00 0.00 C ATOM 441 CG ASP A 30 -1.422 -17.247 4.152 1.00 0.00 C ATOM 442 OD1 ASP A 30 -0.566 -17.015 4.991 1.00 0.00 O ATOM 443 OD2 ASP A 30 -2.490 -17.785 4.399 1.00 0.00 O ATOM 0 H ASP A 30 -2.805 -15.069 3.264 1.00 0.00 H new ATOM 0 HA ASP A 30 0.081 -15.161 3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.012 -17.040 2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.320 -17.438 2.303 1.00 0.00 H new ATOM 448 N ALA A 31 -1.387 -14.411 0.483 1.00 0.00 N ATOM 449 CA ALA A 31 -1.121 -14.007 -0.933 1.00 0.00 C ATOM 450 C ALA A 31 0.054 -13.024 -0.982 1.00 0.00 C ATOM 451 O ALA A 31 0.263 -12.249 -0.068 1.00 0.00 O ATOM 452 CB ALA A 31 -2.368 -13.339 -1.514 1.00 0.00 C ATOM 0 H ALA A 31 -2.333 -14.222 0.814 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.873 -14.892 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.176 -13.044 -2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.202 -14.040 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.616 -12.456 -0.925 1.00 0.00 H new ATOM 458 N ASP A 32 0.821 -13.059 -2.041 1.00 0.00 N ATOM 459 CA ASP A 32 1.989 -12.136 -2.158 1.00 0.00 C ATOM 460 C ASP A 32 1.555 -10.836 -2.840 1.00 0.00 C ATOM 461 O ASP A 32 1.515 -10.745 -4.052 1.00 0.00 O ATOM 462 CB ASP A 32 3.086 -12.805 -2.989 1.00 0.00 C ATOM 463 CG ASP A 32 3.762 -13.897 -2.158 1.00 0.00 C ATOM 464 OD1 ASP A 32 3.142 -14.928 -1.953 1.00 0.00 O ATOM 465 OD2 ASP A 32 4.888 -13.685 -1.741 1.00 0.00 O ATOM 0 H ASP A 32 0.688 -13.689 -2.832 1.00 0.00 H new ATOM 0 HA ASP A 32 2.371 -11.911 -1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.659 -13.235 -3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.822 -12.064 -3.303 1.00 0.00 H new ATOM 470 N VAL A 33 1.239 -9.831 -2.064 1.00 0.00 N ATOM 471 CA VAL A 33 0.814 -8.526 -2.653 1.00 0.00 C ATOM 472 C VAL A 33 2.020 -7.581 -2.700 1.00 0.00 C ATOM 473 O VAL A 33 2.617 -7.278 -1.685 1.00 0.00 O ATOM 474 CB VAL A 33 -0.314 -7.921 -1.798 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.483 -8.916 -1.705 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.203 -7.609 -0.386 1.00 0.00 C ATOM 0 H VAL A 33 1.257 -9.858 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 33 0.441 -8.676 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.655 -6.998 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.280 -8.485 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.861 -9.127 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.137 -9.842 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.603 -7.181 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.554 -8.528 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.025 -6.896 -0.449 1.00 0.00 H new ATOM 486 N ASN A 34 2.388 -7.128 -3.873 1.00 0.00 N ATOM 487 CA ASN A 34 3.564 -6.215 -3.990 1.00 0.00 C ATOM 488 C ASN A 34 3.126 -4.850 -4.525 1.00 0.00 C ATOM 489 O ASN A 34 2.540 -4.745 -5.586 1.00 0.00 O ATOM 490 CB ASN A 34 4.585 -6.828 -4.952 1.00 0.00 C ATOM 491 CG ASN A 34 5.012 -8.203 -4.436 1.00 0.00 C ATOM 492 OD1 ASN A 34 5.618 -8.311 -3.389 1.00 0.00 O ATOM 493 ND2 ASN A 34 4.720 -9.268 -5.133 1.00 0.00 N ATOM 0 H ASN A 34 1.924 -7.352 -4.754 1.00 0.00 H new ATOM 0 HA ASN A 34 4.010 -6.084 -3.004 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.152 -6.920 -5.948 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.454 -6.176 -5.041 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.001 -10.190 -4.798 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.211 -9.178 -6.012 1.00 0.00 H new ATOM 500 N LEU A 35 3.423 -3.803 -3.797 1.00 0.00 N ATOM 501 CA LEU A 35 3.049 -2.431 -4.250 1.00 0.00 C ATOM 502 C LEU A 35 4.198 -1.859 -5.086 1.00 0.00 C ATOM 503 O LEU A 35 5.351 -2.175 -4.857 1.00 0.00 O ATOM 504 CB LEU A 35 2.808 -1.540 -3.029 1.00 0.00 C ATOM 505 CG LEU A 35 2.212 -0.200 -3.477 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.159 0.260 -2.464 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.324 0.849 -3.569 1.00 0.00 C ATOM 0 H LEU A 35 3.912 -3.842 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 35 2.139 -2.470 -4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.131 -2.036 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.745 -1.373 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 35 1.745 -0.322 -4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.737 1.212 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.366 -0.485 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.624 0.380 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.900 1.801 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.793 0.969 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.071 0.524 -4.293 1.00 0.00 H new ATOM 519 N GLU A 36 3.897 -1.027 -6.053 1.00 0.00 N ATOM 520 CA GLU A 36 4.981 -0.444 -6.901 1.00 0.00 C ATOM 521 C GLU A 36 4.880 1.082 -6.904 1.00 0.00 C ATOM 522 O GLU A 36 3.837 1.650 -6.640 1.00 0.00 O ATOM 523 CB GLU A 36 4.849 -0.963 -8.336 1.00 0.00 C ATOM 524 CG GLU A 36 6.052 -0.493 -9.160 1.00 0.00 C ATOM 525 CD GLU A 36 5.995 -1.123 -10.553 1.00 0.00 C ATOM 526 OE1 GLU A 36 6.164 -2.327 -10.644 1.00 0.00 O ATOM 527 OE2 GLU A 36 5.784 -0.390 -11.505 1.00 0.00 O ATOM 0 H GLU A 36 2.951 -0.728 -6.291 1.00 0.00 H new ATOM 0 HA GLU A 36 5.947 -0.740 -6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.796 -2.052 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.924 -0.599 -8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.048 0.594 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.980 -0.773 -8.661 1.00 0.00 H new ATOM 534 N TYR A 37 5.966 1.744 -7.212 1.00 0.00 N ATOM 535 CA TYR A 37 5.965 3.234 -7.249 1.00 0.00 C ATOM 536 C TYR A 37 6.943 3.698 -8.332 1.00 0.00 C ATOM 537 O TYR A 37 8.141 3.638 -8.159 1.00 0.00 O ATOM 538 CB TYR A 37 6.397 3.778 -5.877 1.00 0.00 C ATOM 539 CG TYR A 37 6.436 5.295 -5.892 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.381 6.028 -6.454 1.00 0.00 C ATOM 541 CD2 TYR A 37 7.535 5.965 -5.337 1.00 0.00 C ATOM 542 CE1 TYR A 37 5.428 7.426 -6.463 1.00 0.00 C ATOM 543 CE2 TYR A 37 7.580 7.364 -5.347 1.00 0.00 C ATOM 544 CZ TYR A 37 6.526 8.095 -5.910 1.00 0.00 C ATOM 545 OH TYR A 37 6.571 9.474 -5.919 1.00 0.00 O ATOM 0 H TYR A 37 6.860 1.310 -7.441 1.00 0.00 H new ATOM 0 HA TYR A 37 4.966 3.606 -7.477 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.704 3.434 -5.109 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.380 3.386 -5.618 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.532 5.513 -6.880 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.347 5.402 -4.902 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.616 7.990 -6.897 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.428 7.880 -4.921 1.00 0.00 H new ATOM 0 HH TYR A 37 7.401 9.777 -5.495 1.00 0.00 H new ATOM 555 N ASN A 38 6.428 4.155 -9.450 1.00 0.00 N ATOM 556 CA ASN A 38 7.297 4.629 -10.581 1.00 0.00 C ATOM 557 C ASN A 38 7.932 3.421 -11.283 1.00 0.00 C ATOM 558 O ASN A 38 7.452 2.976 -12.310 1.00 0.00 O ATOM 559 CB ASN A 38 8.393 5.586 -10.067 1.00 0.00 C ATOM 560 CG ASN A 38 8.235 6.961 -10.725 1.00 0.00 C ATOM 561 OD1 ASN A 38 9.193 7.527 -11.214 1.00 0.00 O ATOM 562 ND2 ASN A 38 7.057 7.523 -10.760 1.00 0.00 N ATOM 0 H ASN A 38 5.426 4.221 -9.631 1.00 0.00 H new ATOM 0 HA ASN A 38 6.678 5.176 -11.293 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.325 5.682 -8.983 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.379 5.177 -10.290 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.941 8.437 -11.198 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.253 7.048 -10.350 1.00 0.00 H new ATOM 569 N GLY A 39 9.000 2.886 -10.745 1.00 0.00 N ATOM 570 CA GLY A 39 9.658 1.709 -11.384 1.00 0.00 C ATOM 571 C GLY A 39 10.281 0.816 -10.308 1.00 0.00 C ATOM 572 O GLY A 39 11.234 0.102 -10.561 1.00 0.00 O ATOM 0 H GLY A 39 9.444 3.216 -9.888 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.928 1.142 -11.962 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.426 2.044 -12.081 1.00 0.00 H new ATOM 576 N LYS A 40 9.749 0.848 -9.111 1.00 0.00 N ATOM 577 CA LYS A 40 10.305 -0.001 -8.015 1.00 0.00 C ATOM 578 C LYS A 40 9.184 -0.857 -7.425 1.00 0.00 C ATOM 579 O LYS A 40 8.244 -0.348 -6.845 1.00 0.00 O ATOM 580 CB LYS A 40 10.896 0.892 -6.923 1.00 0.00 C ATOM 581 CG LYS A 40 12.234 1.466 -7.400 1.00 0.00 C ATOM 582 CD LYS A 40 12.015 2.869 -7.973 1.00 0.00 C ATOM 583 CE LYS A 40 13.350 3.447 -8.449 1.00 0.00 C ATOM 584 NZ LYS A 40 13.452 3.306 -9.929 1.00 0.00 N ATOM 0 H LYS A 40 8.952 1.427 -8.846 1.00 0.00 H new ATOM 0 HA LYS A 40 11.088 -0.646 -8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.205 1.701 -6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.040 0.318 -6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.940 1.507 -6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.670 0.816 -8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.309 2.827 -8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.577 3.518 -7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.425 4.497 -8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.177 2.927 -7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.359 3.698 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.398 2.300 -10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.670 3.821 -10.382 1.00 0.00 H new ATOM 598 N THR A 41 9.275 -2.154 -7.577 1.00 0.00 N ATOM 599 CA THR A 41 8.214 -3.051 -7.035 1.00 0.00 C ATOM 600 C THR A 41 8.554 -3.457 -5.601 1.00 0.00 C ATOM 601 O THR A 41 9.197 -4.463 -5.369 1.00 0.00 O ATOM 602 CB THR A 41 8.112 -4.306 -7.906 1.00 0.00 C ATOM 603 OG1 THR A 41 7.994 -3.928 -9.270 1.00 0.00 O ATOM 604 CG2 THR A 41 6.883 -5.117 -7.491 1.00 0.00 C ATOM 0 H THR A 41 10.041 -2.630 -8.054 1.00 0.00 H new ATOM 0 HA THR A 41 7.262 -2.520 -7.041 1.00 0.00 H new ATOM 0 HB THR A 41 9.008 -4.913 -7.775 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.212 -3.348 -9.382 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.810 -6.010 -8.111 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.975 -5.408 -6.445 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.986 -4.511 -7.621 1.00 0.00 H new ATOM 612 N VAL A 42 8.108 -2.692 -4.638 1.00 0.00 N ATOM 613 CA VAL A 42 8.385 -3.044 -3.208 1.00 0.00 C ATOM 614 C VAL A 42 7.256 -3.933 -2.697 1.00 0.00 C ATOM 615 O VAL A 42 6.120 -3.806 -3.112 1.00 0.00 O ATOM 616 CB VAL A 42 8.474 -1.793 -2.313 1.00 0.00 C ATOM 617 CG1 VAL A 42 9.875 -1.187 -2.408 1.00 0.00 C ATOM 618 CG2 VAL A 42 7.428 -0.748 -2.727 1.00 0.00 C ATOM 0 H VAL A 42 7.565 -1.840 -4.777 1.00 0.00 H new ATOM 0 HA VAL A 42 9.345 -3.558 -3.166 1.00 0.00 H new ATOM 0 HB VAL A 42 8.274 -2.092 -1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.933 -0.303 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.611 -1.920 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.081 -0.906 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.511 0.126 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.600 -0.451 -3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.430 -1.175 -2.633 1.00 0.00 H new ATOM 628 N ASN A 43 7.561 -4.830 -1.799 1.00 0.00 N ATOM 629 CA ASN A 43 6.509 -5.732 -1.253 1.00 0.00 C ATOM 630 C ASN A 43 5.719 -4.989 -0.176 1.00 0.00 C ATOM 631 O ASN A 43 6.279 -4.266 0.627 1.00 0.00 O ATOM 632 CB ASN A 43 7.169 -6.969 -0.638 1.00 0.00 C ATOM 633 CG ASN A 43 6.106 -8.038 -0.367 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.044 -8.023 -0.958 1.00 0.00 O ATOM 635 ND2 ASN A 43 6.350 -8.974 0.510 1.00 0.00 N ATOM 0 H ASN A 43 8.496 -4.977 -1.419 1.00 0.00 H new ATOM 0 HA ASN A 43 5.837 -6.039 -2.054 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.930 -7.361 -1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.674 -6.701 0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.650 -9.691 0.698 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.241 -8.988 1.007 1.00 0.00 H new ATOM 642 N LEU A 44 4.420 -5.169 -0.145 1.00 0.00 N ATOM 643 CA LEU A 44 3.577 -4.484 0.890 1.00 0.00 C ATOM 644 C LEU A 44 4.143 -4.792 2.286 1.00 0.00 C ATOM 645 O LEU A 44 4.013 -4.009 3.208 1.00 0.00 O ATOM 646 CB LEU A 44 2.131 -5.001 0.770 1.00 0.00 C ATOM 647 CG LEU A 44 1.118 -4.026 1.407 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.316 -3.987 2.921 1.00 0.00 C ATOM 649 CD2 LEU A 44 1.284 -2.611 0.833 1.00 0.00 C ATOM 0 H LEU A 44 3.904 -5.763 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 44 3.587 -3.405 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.883 -5.147 -0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.052 -5.975 1.254 1.00 0.00 H new ATOM 0 HG LEU A 44 0.113 -4.380 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.598 -3.297 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.163 -4.984 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.328 -3.652 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.559 -1.943 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.292 -2.251 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.118 -2.634 -0.244 1.00 0.00 H new ATOM 661 N LYS A 45 4.796 -5.919 2.431 1.00 0.00 N ATOM 662 CA LYS A 45 5.401 -6.281 3.743 1.00 0.00 C ATOM 663 C LYS A 45 6.841 -5.749 3.790 1.00 0.00 C ATOM 664 O LYS A 45 7.787 -6.492 3.974 1.00 0.00 O ATOM 665 CB LYS A 45 5.403 -7.806 3.897 1.00 0.00 C ATOM 666 CG LYS A 45 3.996 -8.288 4.259 1.00 0.00 C ATOM 667 CD LYS A 45 3.192 -8.540 2.980 1.00 0.00 C ATOM 668 CE LYS A 45 3.374 -9.992 2.524 1.00 0.00 C ATOM 669 NZ LYS A 45 2.099 -10.738 2.724 1.00 0.00 N ATOM 0 H LYS A 45 4.935 -6.606 1.690 1.00 0.00 H new ATOM 0 HA LYS A 45 4.823 -5.841 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.731 -8.275 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.110 -8.102 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.055 -9.203 4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.493 -7.543 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.136 -8.336 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.520 -7.860 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.664 -10.021 1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.177 -10.464 3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.306 -11.681 3.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.492 -10.216 3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.609 -10.838 1.812 1.00 0.00 H new ATOM 683 N SER A 46 7.005 -4.460 3.623 1.00 0.00 N ATOM 684 CA SER A 46 8.369 -3.853 3.653 1.00 0.00 C ATOM 685 C SER A 46 8.254 -2.433 4.207 1.00 0.00 C ATOM 686 O SER A 46 7.698 -1.555 3.575 1.00 0.00 O ATOM 687 CB SER A 46 8.952 -3.811 2.235 1.00 0.00 C ATOM 688 OG SER A 46 10.371 -3.805 2.311 1.00 0.00 O ATOM 0 H SER A 46 6.245 -3.798 3.466 1.00 0.00 H new ATOM 0 HA SER A 46 9.028 -4.449 4.284 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.611 -4.674 1.663 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.601 -2.922 1.711 1.00 0.00 H new ATOM 0 HG SER A 46 10.747 -3.780 1.406 1.00 0.00 H new ATOM 694 N ILE A 47 8.752 -2.211 5.395 1.00 0.00 N ATOM 695 CA ILE A 47 8.652 -0.855 6.012 1.00 0.00 C ATOM 696 C ILE A 47 9.864 -0.006 5.624 1.00 0.00 C ATOM 697 O ILE A 47 9.736 1.166 5.320 1.00 0.00 O ATOM 698 CB ILE A 47 8.588 -0.990 7.535 1.00 0.00 C ATOM 699 CG1 ILE A 47 7.497 -2.011 7.902 1.00 0.00 C ATOM 700 CG2 ILE A 47 8.257 0.379 8.143 1.00 0.00 C ATOM 701 CD1 ILE A 47 7.363 -2.118 9.423 1.00 0.00 C ATOM 0 H ILE A 47 9.225 -2.912 5.966 1.00 0.00 H new ATOM 0 HA ILE A 47 7.748 -0.367 5.649 1.00 0.00 H new ATOM 0 HB ILE A 47 9.546 -1.334 7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.545 -1.709 7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.745 -2.986 7.482 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.209 0.293 9.229 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.032 1.095 7.870 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.295 0.723 7.764 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.588 -2.844 9.670 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.312 -2.442 9.850 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.093 -1.145 9.834 1.00 0.00 H new ATOM 713 N MET A 48 11.037 -0.584 5.637 1.00 0.00 N ATOM 714 CA MET A 48 12.262 0.189 5.275 1.00 0.00 C ATOM 715 C MET A 48 12.377 0.314 3.751 1.00 0.00 C ATOM 716 O MET A 48 13.012 1.220 3.246 1.00 0.00 O ATOM 717 CB MET A 48 13.498 -0.532 5.819 1.00 0.00 C ATOM 718 CG MET A 48 14.601 0.490 6.099 1.00 0.00 C ATOM 719 SD MET A 48 16.078 -0.367 6.697 1.00 0.00 S ATOM 720 CE MET A 48 17.277 0.492 5.650 1.00 0.00 C ATOM 0 H MET A 48 11.200 -1.560 5.883 1.00 0.00 H new ATOM 0 HA MET A 48 12.194 1.186 5.710 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.246 -1.070 6.733 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.847 -1.272 5.099 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.833 1.048 5.192 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.262 1.213 6.840 1.00 0.00 H new ATOM 0 HE1 MET A 48 18.278 0.113 5.857 1.00 0.00 H new ATOM 0 HE2 MET A 48 17.033 0.321 4.602 1.00 0.00 H new ATOM 0 HE3 MET A 48 17.243 1.561 5.860 1.00 0.00 H new ATOM 730 N GLY A 49 11.775 -0.590 3.016 1.00 0.00 N ATOM 731 CA GLY A 49 11.858 -0.527 1.526 1.00 0.00 C ATOM 732 C GLY A 49 10.892 0.535 0.992 1.00 0.00 C ATOM 733 O GLY A 49 11.127 1.130 -0.042 1.00 0.00 O ATOM 0 H GLY A 49 11.230 -1.369 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.877 -0.290 1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.615 -1.500 1.099 1.00 0.00 H new ATOM 737 N VAL A 50 9.806 0.771 1.685 1.00 0.00 N ATOM 738 CA VAL A 50 8.818 1.789 1.214 1.00 0.00 C ATOM 739 C VAL A 50 9.251 3.183 1.677 1.00 0.00 C ATOM 740 O VAL A 50 9.181 4.142 0.930 1.00 0.00 O ATOM 741 CB VAL A 50 7.437 1.464 1.792 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.397 2.427 1.213 1.00 0.00 C ATOM 743 CG2 VAL A 50 7.058 0.028 1.424 1.00 0.00 C ATOM 0 H VAL A 50 9.561 0.302 2.557 1.00 0.00 H new ATOM 0 HA VAL A 50 8.772 1.770 0.125 1.00 0.00 H new ATOM 0 HB VAL A 50 7.465 1.570 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.416 2.194 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.665 3.451 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.369 2.323 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.076 -0.206 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.032 -0.075 0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.796 -0.660 1.836 1.00 0.00 H new ATOM 753 N VAL A 51 9.693 3.302 2.903 1.00 0.00 N ATOM 754 CA VAL A 51 10.127 4.633 3.424 1.00 0.00 C ATOM 755 C VAL A 51 11.313 5.146 2.598 1.00 0.00 C ATOM 756 O VAL A 51 11.430 6.326 2.327 1.00 0.00 O ATOM 757 CB VAL A 51 10.529 4.489 4.899 1.00 0.00 C ATOM 758 CG1 VAL A 51 11.717 3.530 5.037 1.00 0.00 C ATOM 759 CG2 VAL A 51 10.910 5.860 5.467 1.00 0.00 C ATOM 0 H VAL A 51 9.772 2.532 3.567 1.00 0.00 H new ATOM 0 HA VAL A 51 9.308 5.348 3.344 1.00 0.00 H new ATOM 0 HB VAL A 51 9.682 4.086 5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.990 3.438 6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.441 2.550 4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.566 3.919 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.195 5.754 6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.749 6.267 4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.058 6.536 5.389 1.00 0.00 H new ATOM 769 N SER A 52 12.190 4.260 2.203 1.00 0.00 N ATOM 770 CA SER A 52 13.381 4.671 1.396 1.00 0.00 C ATOM 771 C SER A 52 12.930 5.382 0.116 1.00 0.00 C ATOM 772 O SER A 52 13.624 6.236 -0.404 1.00 0.00 O ATOM 773 CB SER A 52 14.196 3.430 1.029 1.00 0.00 C ATOM 774 OG SER A 52 13.475 2.662 0.074 1.00 0.00 O ATOM 0 H SER A 52 12.133 3.262 2.406 1.00 0.00 H new ATOM 0 HA SER A 52 13.993 5.354 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.164 3.723 0.622 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.393 2.833 1.920 1.00 0.00 H new ATOM 0 HG SER A 52 12.634 2.352 0.471 1.00 0.00 H new ATOM 780 N LEU A 53 11.773 5.038 -0.393 1.00 0.00 N ATOM 781 CA LEU A 53 11.275 5.694 -1.639 1.00 0.00 C ATOM 782 C LEU A 53 11.035 7.181 -1.368 1.00 0.00 C ATOM 783 O LEU A 53 11.538 8.036 -2.073 1.00 0.00 O ATOM 784 CB LEU A 53 9.963 5.037 -2.078 1.00 0.00 C ATOM 785 CG LEU A 53 10.265 3.719 -2.794 1.00 0.00 C ATOM 786 CD1 LEU A 53 8.986 2.886 -2.895 1.00 0.00 C ATOM 787 CD2 LEU A 53 10.792 4.013 -4.200 1.00 0.00 C ATOM 0 H LEU A 53 11.152 4.331 0.001 1.00 0.00 H new ATOM 0 HA LEU A 53 12.017 5.581 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.328 4.855 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.414 5.705 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 53 11.016 3.165 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.202 1.947 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.608 2.676 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.235 3.440 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.008 3.075 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.040 4.568 -4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.704 4.606 -4.130 1.00 0.00 H new ATOM 799 N GLY A 54 10.273 7.492 -0.350 1.00 0.00 N ATOM 800 CA GLY A 54 9.998 8.922 -0.023 1.00 0.00 C ATOM 801 C GLY A 54 8.759 9.395 -0.787 1.00 0.00 C ATOM 802 O GLY A 54 8.816 10.338 -1.553 1.00 0.00 O ATOM 0 H GLY A 54 9.829 6.814 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.842 9.037 1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.858 9.538 -0.287 1.00 0.00 H new ATOM 806 N ILE A 55 7.642 8.746 -0.579 1.00 0.00 N ATOM 807 CA ILE A 55 6.391 9.151 -1.287 1.00 0.00 C ATOM 808 C ILE A 55 5.803 10.387 -0.603 1.00 0.00 C ATOM 809 O ILE A 55 6.155 10.710 0.516 1.00 0.00 O ATOM 810 CB ILE A 55 5.384 8.000 -1.237 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.034 6.733 -1.800 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.158 8.357 -2.078 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.208 5.510 -1.399 1.00 0.00 C ATOM 0 H ILE A 55 7.543 7.951 0.052 1.00 0.00 H new ATOM 0 HA ILE A 55 6.614 9.386 -2.328 1.00 0.00 H new ATOM 0 HB ILE A 55 5.079 7.828 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.101 6.799 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.052 6.636 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.441 7.537 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.696 9.261 -1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.462 8.528 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.673 4.610 -1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.164 5.441 -0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.198 5.606 -1.798 1.00 0.00 H new ATOM 825 N ALA A 56 4.916 11.084 -1.270 1.00 0.00 N ATOM 826 CA ALA A 56 4.312 12.306 -0.664 1.00 0.00 C ATOM 827 C ALA A 56 2.846 12.435 -1.103 1.00 0.00 C ATOM 828 O ALA A 56 2.237 11.475 -1.535 1.00 0.00 O ATOM 829 CB ALA A 56 5.102 13.535 -1.125 1.00 0.00 C ATOM 0 H ALA A 56 4.586 10.858 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 56 4.349 12.233 0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.667 14.433 -0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.140 13.441 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.062 13.606 -2.212 1.00 0.00 H new ATOM 835 N LYS A 57 2.280 13.612 -0.985 1.00 0.00 N ATOM 836 CA LYS A 57 0.853 13.818 -1.386 1.00 0.00 C ATOM 837 C LYS A 57 0.770 14.138 -2.887 1.00 0.00 C ATOM 838 O LYS A 57 0.395 15.227 -3.282 1.00 0.00 O ATOM 839 CB LYS A 57 0.255 14.977 -0.581 1.00 0.00 C ATOM 840 CG LYS A 57 1.148 16.213 -0.720 1.00 0.00 C ATOM 841 CD LYS A 57 0.304 17.484 -0.556 1.00 0.00 C ATOM 842 CE LYS A 57 0.010 18.098 -1.928 1.00 0.00 C ATOM 843 NZ LYS A 57 -1.434 18.456 -2.010 1.00 0.00 N ATOM 0 H LYS A 57 2.749 14.444 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 57 0.291 12.906 -1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.750 15.200 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.166 14.696 0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.937 16.190 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.636 16.213 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.630 17.247 -0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.833 18.204 0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.625 18.985 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.266 17.392 -2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.636 18.873 -2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.012 17.601 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.664 19.144 -1.265 1.00 0.00 H new ATOM 857 N GLY A 58 1.114 13.196 -3.724 1.00 0.00 N ATOM 858 CA GLY A 58 1.058 13.433 -5.197 1.00 0.00 C ATOM 859 C GLY A 58 1.830 12.327 -5.916 1.00 0.00 C ATOM 860 O GLY A 58 2.722 12.590 -6.700 1.00 0.00 O ATOM 0 H GLY A 58 1.433 12.267 -3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.022 13.448 -5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.486 14.406 -5.437 1.00 0.00 H new ATOM 864 N ALA A 59 1.494 11.091 -5.648 1.00 0.00 N ATOM 865 CA ALA A 59 2.206 9.957 -6.307 1.00 0.00 C ATOM 866 C ALA A 59 1.199 8.865 -6.676 1.00 0.00 C ATOM 867 O ALA A 59 0.061 8.887 -6.248 1.00 0.00 O ATOM 868 CB ALA A 59 3.249 9.385 -5.342 1.00 0.00 C ATOM 0 H ALA A 59 0.755 10.819 -4.999 1.00 0.00 H new ATOM 0 HA ALA A 59 2.700 10.313 -7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.771 8.556 -5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.966 10.162 -5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.753 9.029 -4.439 1.00 0.00 H new ATOM 874 N GLU A 60 1.617 7.909 -7.467 1.00 0.00 N ATOM 875 CA GLU A 60 0.696 6.805 -7.869 1.00 0.00 C ATOM 876 C GLU A 60 1.348 5.463 -7.538 1.00 0.00 C ATOM 877 O GLU A 60 2.508 5.239 -7.830 1.00 0.00 O ATOM 878 CB GLU A 60 0.424 6.886 -9.372 1.00 0.00 C ATOM 879 CG GLU A 60 -0.341 8.173 -9.682 1.00 0.00 C ATOM 880 CD GLU A 60 -1.068 8.028 -11.020 1.00 0.00 C ATOM 881 OE1 GLU A 60 -1.815 7.075 -11.165 1.00 0.00 O ATOM 882 OE2 GLU A 60 -0.866 8.873 -11.877 1.00 0.00 O ATOM 0 H GLU A 60 2.559 7.846 -7.852 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.246 6.898 -7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.364 6.867 -9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.154 6.020 -9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.058 8.382 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.348 9.017 -9.720 1.00 0.00 H new ATOM 889 N ILE A 61 0.612 4.571 -6.927 1.00 0.00 N ATOM 890 CA ILE A 61 1.182 3.240 -6.567 1.00 0.00 C ATOM 891 C ILE A 61 0.310 2.130 -7.160 1.00 0.00 C ATOM 892 O ILE A 61 -0.904 2.190 -7.109 1.00 0.00 O ATOM 893 CB ILE A 61 1.222 3.105 -5.043 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.176 3.373 -4.471 1.00 0.00 C ATOM 895 CG2 ILE A 61 2.214 4.121 -4.468 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.173 3.171 -2.950 1.00 0.00 C ATOM 0 H ILE A 61 -0.363 4.709 -6.661 1.00 0.00 H new ATOM 0 HA ILE A 61 2.192 3.154 -6.968 1.00 0.00 H new ATOM 0 HB ILE A 61 1.538 2.097 -4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.486 4.390 -4.710 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.901 2.703 -4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.244 4.026 -3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.207 3.931 -4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.898 5.129 -4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.171 3.364 -2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.116 2.146 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.538 3.860 -2.493 1.00 0.00 H new ATOM 908 N THR A 62 0.923 1.118 -7.724 1.00 0.00 N ATOM 909 CA THR A 62 0.137 0.001 -8.327 1.00 0.00 C ATOM 910 C THR A 62 0.354 -1.278 -7.513 1.00 0.00 C ATOM 911 O THR A 62 1.436 -1.834 -7.492 1.00 0.00 O ATOM 912 CB THR A 62 0.596 -0.231 -9.769 1.00 0.00 C ATOM 913 OG1 THR A 62 0.835 1.021 -10.396 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.490 -0.988 -10.535 1.00 0.00 C ATOM 0 H THR A 62 1.936 1.019 -7.792 1.00 0.00 H new ATOM 0 HA THR A 62 -0.921 0.262 -8.320 1.00 0.00 H new ATOM 0 HB THR A 62 1.514 -0.818 -9.769 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.131 0.874 -11.319 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.163 -1.153 -11.562 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.673 -1.949 -10.053 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.409 -0.402 -10.537 1.00 0.00 H new ATOM 922 N ILE A 63 -0.670 -1.744 -6.846 1.00 0.00 N ATOM 923 CA ILE A 63 -0.539 -2.986 -6.028 1.00 0.00 C ATOM 924 C ILE A 63 -0.968 -4.195 -6.868 1.00 0.00 C ATOM 925 O ILE A 63 -1.726 -4.071 -7.810 1.00 0.00 O ATOM 926 CB ILE A 63 -1.428 -2.860 -4.781 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.914 -1.704 -3.919 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.386 -4.158 -3.964 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.870 -1.471 -2.748 1.00 0.00 C ATOM 0 H ILE A 63 -1.595 -1.315 -6.833 1.00 0.00 H new ATOM 0 HA ILE A 63 0.497 -3.123 -5.717 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.456 -2.671 -5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.085 -1.931 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.831 -0.798 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.020 -4.054 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.747 -4.985 -4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.361 -4.358 -3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.502 -0.648 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.860 -1.224 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.930 -2.375 -2.142 1.00 0.00 H new ATOM 941 N SER A 64 -0.482 -5.362 -6.524 1.00 0.00 N ATOM 942 CA SER A 64 -0.853 -6.588 -7.288 1.00 0.00 C ATOM 943 C SER A 64 -0.835 -7.795 -6.349 1.00 0.00 C ATOM 944 O SER A 64 0.214 -8.292 -5.984 1.00 0.00 O ATOM 945 CB SER A 64 0.151 -6.807 -8.421 1.00 0.00 C ATOM 946 OG SER A 64 1.447 -6.422 -7.981 1.00 0.00 O ATOM 0 H SER A 64 0.157 -5.516 -5.744 1.00 0.00 H new ATOM 0 HA SER A 64 -1.852 -6.468 -7.708 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.153 -7.854 -8.723 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.137 -6.224 -9.295 1.00 0.00 H new ATOM 0 HG SER A 64 1.650 -6.867 -7.131 1.00 0.00 H new ATOM 952 N ALA A 65 -1.991 -8.268 -5.959 1.00 0.00 N ATOM 953 CA ALA A 65 -2.054 -9.443 -5.044 1.00 0.00 C ATOM 954 C ALA A 65 -2.086 -10.725 -5.877 1.00 0.00 C ATOM 955 O ALA A 65 -2.807 -10.820 -6.854 1.00 0.00 O ATOM 956 CB ALA A 65 -3.321 -9.357 -4.190 1.00 0.00 C ATOM 0 H ALA A 65 -2.896 -7.888 -6.237 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.180 -9.450 -4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.368 -10.216 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.302 -8.439 -3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.197 -9.354 -4.838 1.00 0.00 H new ATOM 962 N SER A 66 -1.310 -11.711 -5.502 1.00 0.00 N ATOM 963 CA SER A 66 -1.291 -12.988 -6.274 1.00 0.00 C ATOM 964 C SER A 66 -1.068 -14.163 -5.315 1.00 0.00 C ATOM 965 O SER A 66 0.020 -14.365 -4.811 1.00 0.00 O ATOM 966 CB SER A 66 -0.164 -12.937 -7.310 1.00 0.00 C ATOM 967 OG SER A 66 -0.724 -13.036 -8.614 1.00 0.00 O ATOM 0 H SER A 66 -0.689 -11.685 -4.693 1.00 0.00 H new ATOM 0 HA SER A 66 -2.244 -13.122 -6.786 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.396 -12.007 -7.211 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.540 -13.752 -7.140 1.00 0.00 H new ATOM 0 HG SER A 66 -0.007 -13.002 -9.281 1.00 0.00 H new ATOM 973 N GLY A 67 -2.093 -14.937 -5.065 1.00 0.00 N ATOM 974 CA GLY A 67 -1.955 -16.103 -4.143 1.00 0.00 C ATOM 975 C GLY A 67 -3.326 -16.746 -3.923 1.00 0.00 C ATOM 976 O GLY A 67 -4.146 -16.800 -4.821 1.00 0.00 O ATOM 0 H GLY A 67 -3.024 -14.810 -5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.263 -16.833 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.537 -15.779 -3.190 1.00 0.00 H new ATOM 980 N ALA A 68 -3.579 -17.232 -2.733 1.00 0.00 N ATOM 981 CA ALA A 68 -4.898 -17.873 -2.447 1.00 0.00 C ATOM 982 C ALA A 68 -5.965 -16.790 -2.276 1.00 0.00 C ATOM 983 O ALA A 68 -6.800 -16.589 -3.136 1.00 0.00 O ATOM 984 CB ALA A 68 -4.796 -18.700 -1.162 1.00 0.00 C ATOM 0 H ALA A 68 -2.928 -17.212 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.173 -18.525 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.758 -19.168 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.036 -19.472 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.521 -18.050 -0.332 1.00 0.00 H new ATOM 990 N ASP A 69 -5.939 -16.090 -1.169 1.00 0.00 N ATOM 991 CA ASP A 69 -6.946 -15.014 -0.931 1.00 0.00 C ATOM 992 C ASP A 69 -6.357 -13.666 -1.357 1.00 0.00 C ATOM 993 O ASP A 69 -6.462 -12.677 -0.655 1.00 0.00 O ATOM 994 CB ASP A 69 -7.306 -14.974 0.557 1.00 0.00 C ATOM 995 CG ASP A 69 -6.029 -14.840 1.391 1.00 0.00 C ATOM 996 OD1 ASP A 69 -5.319 -13.866 1.202 1.00 0.00 O ATOM 997 OD2 ASP A 69 -5.782 -15.715 2.205 1.00 0.00 O ATOM 0 H ASP A 69 -5.261 -16.219 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.845 -15.216 -1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.973 -14.136 0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.841 -15.881 0.836 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.733 -13.624 -2.508 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.124 -12.351 -3.001 1.00 0.00 C ATOM 1004 C GLU A 70 -6.190 -11.251 -3.090 1.00 0.00 C ATOM 1005 O GLU A 70 -5.957 -10.120 -2.709 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.509 -12.583 -4.386 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.582 -13.090 -5.355 1.00 0.00 C ATOM 1008 CD GLU A 70 -4.914 -13.663 -6.607 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.429 -12.880 -7.407 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -4.897 -14.875 -6.743 1.00 0.00 O ATOM 0 H GLU A 70 -5.619 -14.423 -3.131 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.349 -12.035 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.077 -11.656 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.698 -13.308 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.190 -13.855 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.253 -12.276 -5.629 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.351 -11.580 -3.595 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.436 -10.562 -3.717 1.00 0.00 C ATOM 1019 C ASN A 71 -8.831 -10.053 -2.328 1.00 0.00 C ATOM 1020 O ASN A 71 -9.134 -8.890 -2.150 1.00 0.00 O ATOM 1021 CB ASN A 71 -9.655 -11.197 -4.388 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.492 -11.139 -5.909 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -8.658 -11.823 -6.468 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -10.260 -10.346 -6.606 1.00 0.00 N ATOM 0 H ASN A 71 -7.595 -12.513 -3.929 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.077 -9.726 -4.318 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.764 -12.232 -4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.562 -10.672 -4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.160 -10.301 -7.620 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.960 -9.772 -6.136 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.838 -10.922 -1.351 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.229 -10.511 0.032 1.00 0.00 C ATOM 1033 C ASP A 72 -8.193 -9.553 0.634 1.00 0.00 C ATOM 1034 O ASP A 72 -8.527 -8.685 1.420 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.328 -11.756 0.916 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.269 -12.773 0.267 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -9.789 -13.584 -0.507 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -11.453 -12.723 0.557 1.00 0.00 O ATOM 0 H ASP A 72 -8.588 -11.906 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.190 -9.999 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.340 -12.196 1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.697 -11.484 1.905 1.00 0.00 H new ATOM 1043 N ALA A 73 -6.939 -9.720 0.297 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.878 -8.842 0.880 1.00 0.00 C ATOM 1045 C ALA A 73 -5.920 -7.434 0.282 1.00 0.00 C ATOM 1046 O ALA A 73 -5.951 -6.457 1.003 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.505 -9.448 0.605 1.00 0.00 C ATOM 0 H ALA A 73 -6.603 -10.427 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.060 -8.770 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.733 -8.807 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.446 -10.437 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.354 -9.533 -0.471 1.00 0.00 H new ATOM 1053 N LEU A 74 -5.880 -7.315 -1.023 1.00 0.00 N ATOM 1054 CA LEU A 74 -5.873 -5.956 -1.655 1.00 0.00 C ATOM 1055 C LEU A 74 -7.060 -5.114 -1.177 1.00 0.00 C ATOM 1056 O LEU A 74 -6.896 -3.956 -0.842 1.00 0.00 O ATOM 1057 CB LEU A 74 -5.907 -6.085 -3.179 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.123 -6.899 -3.620 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -8.280 -5.950 -3.951 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -6.755 -7.709 -4.866 1.00 0.00 C ATOM 0 H LEU A 74 -5.852 -8.097 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.955 -5.451 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.941 -5.095 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.994 -6.565 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.427 -7.572 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.148 -6.530 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.535 -5.365 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.981 -5.279 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.617 -8.293 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.457 -7.031 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.929 -8.380 -4.633 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.247 -5.670 -1.143 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.421 -4.868 -0.684 1.00 0.00 C ATOM 1074 C ASN A 75 -9.258 -4.549 0.805 1.00 0.00 C ATOM 1075 O ASN A 75 -9.750 -3.548 1.286 1.00 0.00 O ATOM 1076 CB ASN A 75 -10.736 -5.626 -0.941 1.00 0.00 C ATOM 1077 CG ASN A 75 -10.850 -6.859 -0.039 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -10.713 -7.970 -0.499 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -11.115 -6.707 1.230 1.00 0.00 N ATOM 0 H ASN A 75 -8.451 -6.633 -1.410 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.464 -3.937 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.582 -4.962 -0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.785 -5.931 -1.986 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.206 -7.524 1.833 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.231 -5.771 1.618 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.564 -5.389 1.534 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.357 -5.130 2.988 1.00 0.00 C ATOM 1088 C ALA A 76 -7.568 -3.829 3.157 1.00 0.00 C ATOM 1089 O ALA A 76 -7.969 -2.940 3.881 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.572 -6.287 3.609 1.00 0.00 C ATOM 0 H ALA A 76 -8.132 -6.243 1.182 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.323 -5.043 3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.422 -6.096 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.130 -7.215 3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.604 -6.376 3.116 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.446 -3.713 2.490 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.628 -2.471 2.605 1.00 0.00 C ATOM 1098 C LEU A 77 -6.409 -1.280 2.041 1.00 0.00 C ATOM 1099 O LEU A 77 -6.245 -0.160 2.488 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.327 -2.645 1.821 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.615 -3.931 2.278 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.397 -4.854 1.077 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.261 -3.580 2.898 1.00 0.00 C ATOM 0 H LEU A 77 -6.063 -4.427 1.871 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.401 -2.286 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.538 -2.695 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.678 -1.783 1.978 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.234 -4.437 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.893 -5.763 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.360 -5.111 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.783 -4.345 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.761 -4.493 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.644 -3.069 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.413 -2.927 3.757 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.250 -1.506 1.061 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.036 -0.380 0.465 1.00 0.00 C ATOM 1117 C GLU A 78 -8.926 0.265 1.538 1.00 0.00 C ATOM 1118 O GLU A 78 -8.904 1.468 1.725 1.00 0.00 O ATOM 1119 CB GLU A 78 -8.907 -0.919 -0.680 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.697 0.225 -1.324 1.00 0.00 C ATOM 1121 CD GLU A 78 -9.876 -0.052 -2.819 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -8.970 -0.615 -3.410 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -10.918 0.302 -3.346 1.00 0.00 O ATOM 0 H GLU A 78 -7.426 -2.422 0.648 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.351 0.374 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.279 -1.404 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.593 -1.676 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.670 0.324 -0.843 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.172 1.169 -1.179 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.710 -0.520 2.239 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.603 0.051 3.290 1.00 0.00 C ATOM 1132 C GLU A 79 -9.760 0.736 4.370 1.00 0.00 C ATOM 1133 O GLU A 79 -10.205 1.666 5.014 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.442 -1.066 3.915 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.525 -2.165 4.452 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.293 -3.023 5.459 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -11.289 -2.676 6.628 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -11.871 -4.014 5.044 1.00 0.00 O ATOM 0 H GLU A 79 -9.768 -1.532 2.126 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.267 0.787 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.055 -0.665 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.124 -1.480 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.163 -2.785 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.650 -1.723 4.928 1.00 0.00 H new ATOM 1145 N THR A 80 -8.542 0.292 4.563 1.00 0.00 N ATOM 1146 CA THR A 80 -7.665 0.926 5.590 1.00 0.00 C ATOM 1147 C THR A 80 -7.264 2.317 5.094 1.00 0.00 C ATOM 1148 O THR A 80 -7.110 3.244 5.867 1.00 0.00 O ATOM 1149 CB THR A 80 -6.412 0.065 5.795 1.00 0.00 C ATOM 1150 OG1 THR A 80 -6.799 -1.246 6.182 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.532 0.677 6.887 1.00 0.00 C ATOM 0 H THR A 80 -8.119 -0.483 4.052 1.00 0.00 H new ATOM 0 HA THR A 80 -8.195 1.009 6.539 1.00 0.00 H new ATOM 0 HB THR A 80 -5.849 0.023 4.862 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.161 -1.723 5.406 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.644 0.060 7.027 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.232 1.683 6.592 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.092 0.725 7.821 1.00 0.00 H new ATOM 1159 N MET A 81 -7.101 2.461 3.805 1.00 0.00 N ATOM 1160 CA MET A 81 -6.718 3.781 3.228 1.00 0.00 C ATOM 1161 C MET A 81 -7.906 4.741 3.319 1.00 0.00 C ATOM 1162 O MET A 81 -7.740 5.939 3.453 1.00 0.00 O ATOM 1163 CB MET A 81 -6.324 3.592 1.761 1.00 0.00 C ATOM 1164 CG MET A 81 -5.057 2.737 1.676 1.00 0.00 C ATOM 1165 SD MET A 81 -3.599 3.810 1.649 1.00 0.00 S ATOM 1166 CE MET A 81 -2.719 2.960 0.317 1.00 0.00 C ATOM 0 H MET A 81 -7.218 1.713 3.122 1.00 0.00 H new ATOM 0 HA MET A 81 -5.876 4.195 3.783 1.00 0.00 H new ATOM 0 HB2 MET A 81 -7.136 3.112 1.215 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.153 4.561 1.292 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.006 2.059 2.528 1.00 0.00 H new ATOM 0 HG3 MET A 81 -5.083 2.119 0.778 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.771 3.463 0.128 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.530 1.927 0.607 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.325 2.977 -0.589 1.00 0.00 H new ATOM 1176 N LYS A 82 -9.104 4.220 3.243 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.316 5.089 3.317 1.00 0.00 C ATOM 1178 C LYS A 82 -10.717 5.321 4.781 1.00 0.00 C ATOM 1179 O LYS A 82 -11.471 6.228 5.080 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.473 4.409 2.578 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.404 4.742 1.080 1.00 0.00 C ATOM 1182 CD LYS A 82 -11.326 3.448 0.262 1.00 0.00 C ATOM 1183 CE LYS A 82 -12.670 2.721 0.326 1.00 0.00 C ATOM 1184 NZ LYS A 82 -13.592 3.292 -0.696 1.00 0.00 N ATOM 0 H LYS A 82 -9.295 3.224 3.132 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.091 6.050 2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.424 3.330 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.425 4.743 2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.282 5.317 0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.533 5.364 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.072 3.675 -0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.535 2.807 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.528 1.655 0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.104 2.823 1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.506 2.798 -0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.736 4.304 -0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.178 3.172 -1.643 1.00 0.00 H new ATOM 1198 N SER A 83 -10.229 4.511 5.692 1.00 0.00 N ATOM 1199 CA SER A 83 -10.593 4.689 7.131 1.00 0.00 C ATOM 1200 C SER A 83 -10.143 6.071 7.613 1.00 0.00 C ATOM 1201 O SER A 83 -10.908 6.810 8.204 1.00 0.00 O ATOM 1202 CB SER A 83 -9.906 3.609 7.967 1.00 0.00 C ATOM 1203 OG SER A 83 -8.509 3.865 8.007 1.00 0.00 O ATOM 0 H SER A 83 -9.595 3.736 5.499 1.00 0.00 H new ATOM 0 HA SER A 83 -11.674 4.605 7.242 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.315 3.600 8.977 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.095 2.625 7.538 1.00 0.00 H new ATOM 0 HG SER A 83 -8.123 3.713 7.119 1.00 0.00 H new ATOM 1209 N GLU A 84 -8.907 6.424 7.363 1.00 0.00 N ATOM 1210 CA GLU A 84 -8.399 7.756 7.803 1.00 0.00 C ATOM 1211 C GLU A 84 -8.332 8.700 6.601 1.00 0.00 C ATOM 1212 O GLU A 84 -8.896 9.779 6.617 1.00 0.00 O ATOM 1213 CB GLU A 84 -7.002 7.594 8.405 1.00 0.00 C ATOM 1214 CG GLU A 84 -7.121 7.087 9.844 1.00 0.00 C ATOM 1215 CD GLU A 84 -5.814 7.356 10.592 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -4.771 7.000 10.069 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -5.879 7.911 11.676 1.00 0.00 O ATOM 0 H GLU A 84 -8.227 5.844 6.871 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.072 8.172 8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.417 6.894 7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.474 8.547 8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.949 7.584 10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.341 6.019 9.847 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.646 8.301 5.561 1.00 0.00 N ATOM 1225 CA GLY A 85 -7.535 9.168 4.351 1.00 0.00 C ATOM 1226 C GLY A 85 -6.079 9.213 3.888 1.00 0.00 C ATOM 1227 O GLY A 85 -5.509 10.271 3.704 1.00 0.00 O ATOM 0 H GLY A 85 -7.156 7.408 5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.169 8.781 3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.887 10.174 4.578 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.474 8.067 3.701 1.00 0.00 N ATOM 1232 CA LEU A 86 -4.052 8.030 3.250 1.00 0.00 C ATOM 1233 C LEU A 86 -3.991 8.212 1.733 1.00 0.00 C ATOM 1234 O LEU A 86 -3.438 9.177 1.239 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.435 6.682 3.628 1.00 0.00 C ATOM 1236 CG LEU A 86 -3.289 6.594 5.148 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.783 5.204 5.529 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -2.288 7.648 5.631 1.00 0.00 C ATOM 0 H LEU A 86 -5.906 7.154 3.842 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.496 8.834 3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.063 5.868 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.461 6.570 3.152 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.257 6.773 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.678 5.139 6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.494 4.452 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.815 5.028 5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.186 7.583 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.319 7.471 5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.646 8.641 5.359 1.00 0.00 H new ATOM 1250 N GLY A 87 -4.554 7.291 0.993 1.00 0.00 N ATOM 1251 CA GLY A 87 -4.534 7.402 -0.495 1.00 0.00 C ATOM 1252 C GLY A 87 -5.748 6.679 -1.080 1.00 0.00 C ATOM 1253 O GLY A 87 -6.072 5.576 -0.685 1.00 0.00 O ATOM 0 H GLY A 87 -5.028 6.465 1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.545 8.451 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.615 6.969 -0.890 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.418 7.296 -2.021 1.00 0.00 N ATOM 1258 CA GLU A 88 -7.614 6.652 -2.641 1.00 0.00 C ATOM 1259 C GLU A 88 -7.613 6.915 -4.148 1.00 0.00 C ATOM 1260 O GLU A 88 -7.709 5.955 -4.896 1.00 0.00 O ATOM 1261 CB GLU A 88 -8.888 7.233 -2.018 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.896 8.757 -2.173 1.00 0.00 C ATOM 1263 CD GLU A 88 -9.627 9.387 -0.987 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -10.629 8.829 -0.570 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -9.172 10.416 -0.515 1.00 0.00 O ATOM 1266 OXT GLU A 88 -7.517 8.070 -4.529 1.00 0.00 O ATOM 0 H GLU A 88 -6.187 8.220 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.582 5.577 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.767 6.805 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.942 6.966 -0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.874 9.133 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.386 9.036 -3.106 1.00 0.00 H new TER 1273 GLU A 88