USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 631 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 24 TYR OH : rot 180:sc= -0.185 USER MOD Set 1.2: A 28 ASN : amide:sc= -3.93! C(o=-4.1!,f=-4.1!) USER MOD Set 2.1: A 20 LYS NZ :NH3+ -135:sc= 1.41 (180deg=-0.0848) USER MOD Set 2.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.64! C(o=-1.6!,f=-4.1!) USER MOD Single : A 17 GLN : amide:sc= -6! C(o=-6!,f=-9.4!) USER MOD Single : A 18 LYS NZ :NH3+ 134:sc= -0.804 (180deg=-1.24) USER MOD Single : A 22 THR OG1 : rot 79:sc= 0.375 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= -1.55 K(o=-1.5,f=-2.9) USER MOD Single : A 33 ASN : amide:sc= -0.82 K(o=-0.82,f=-4!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 36 THR OG1 : rot 140:sc=0.000564 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00201 USER MOD Single : A 39 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.1) USER MOD Single : A 43 ASN : amide:sc= -1.02 K(o=-1,f=-3.3!) USER MOD Single : A 48 SER OG : rot 27:sc= 0.00964 USER MOD Single : A 52 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 54 ASN : amide:sc= -0.0168 K(o=-0.017,f=-0.68) USER MOD Single : A 55 ASN : amide:sc= -0.0361 K(o=-0.036,f=-2.1!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.4! K(o=-1.4!,f=-0.026) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0224 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -140:sc= -1.8 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0414 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -138:sc= -0.17 (180deg=-1.23) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 13 -8.698 10.694 -11.724 1.00 0.00 N ATOM 12 CA PHE A 13 -9.161 10.399 -10.335 1.00 0.00 C ATOM 13 C PHE A 13 -8.315 9.275 -9.732 1.00 0.00 C ATOM 14 O PHE A 13 -8.138 9.190 -8.531 1.00 0.00 O ATOM 15 CB PHE A 13 -10.626 9.956 -10.375 1.00 0.00 C ATOM 16 CG PHE A 13 -11.506 11.122 -10.761 1.00 0.00 C ATOM 17 CD1 PHE A 13 -11.921 12.036 -9.786 1.00 0.00 C ATOM 18 CD2 PHE A 13 -11.913 11.284 -12.091 1.00 0.00 C ATOM 19 CE1 PHE A 13 -12.740 13.114 -10.141 1.00 0.00 C ATOM 20 CE2 PHE A 13 -12.732 12.363 -12.446 1.00 0.00 C ATOM 21 CZ PHE A 13 -13.145 13.278 -11.470 1.00 0.00 C ATOM 0 HA PHE A 13 -9.059 11.296 -9.725 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.750 9.143 -11.091 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -10.925 9.571 -9.400 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -11.609 11.910 -8.760 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -11.595 10.577 -12.843 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -13.060 13.820 -9.388 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -13.045 12.489 -13.472 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.776 14.111 -11.743 1.00 0.00 H new ATOM 31 N PHE A 14 -7.807 8.404 -10.557 1.00 0.00 N ATOM 32 CA PHE A 14 -6.982 7.276 -10.042 1.00 0.00 C ATOM 33 C PHE A 14 -5.781 7.832 -9.271 1.00 0.00 C ATOM 34 O PHE A 14 -5.338 7.262 -8.296 1.00 0.00 O ATOM 35 CB PHE A 14 -6.489 6.435 -11.220 1.00 0.00 C ATOM 36 CG PHE A 14 -7.658 5.730 -11.868 1.00 0.00 C ATOM 37 CD1 PHE A 14 -8.152 4.542 -11.316 1.00 0.00 C ATOM 38 CD2 PHE A 14 -8.247 6.262 -13.022 1.00 0.00 C ATOM 39 CE1 PHE A 14 -9.234 3.887 -11.915 1.00 0.00 C ATOM 40 CE2 PHE A 14 -9.330 5.607 -13.622 1.00 0.00 C ATOM 41 CZ PHE A 14 -9.823 4.419 -13.067 1.00 0.00 C ATOM 0 H PHE A 14 -7.928 8.424 -11.570 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.582 6.656 -9.376 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.987 7.071 -11.948 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.757 5.705 -10.876 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.698 4.131 -10.427 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.866 7.178 -13.449 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.614 2.971 -11.488 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.785 6.017 -14.512 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.658 3.914 -13.529 1.00 0.00 H new ATOM 51 N ASN A 15 -5.249 8.939 -9.708 1.00 0.00 N ATOM 52 CA ASN A 15 -4.075 9.538 -9.010 1.00 0.00 C ATOM 53 C ASN A 15 -4.472 9.915 -7.580 1.00 0.00 C ATOM 54 O ASN A 15 -3.718 9.735 -6.645 1.00 0.00 O ATOM 55 CB ASN A 15 -3.641 10.794 -9.767 1.00 0.00 C ATOM 56 CG ASN A 15 -2.440 11.435 -9.069 1.00 0.00 C ATOM 57 OD1 ASN A 15 -2.121 11.097 -7.947 1.00 0.00 O ATOM 58 ND2 ASN A 15 -1.759 12.359 -9.692 1.00 0.00 N ATOM 0 H ASN A 15 -5.578 9.458 -10.522 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.254 8.821 -8.979 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.381 10.538 -10.794 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.467 11.504 -9.814 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.959 12.797 -9.236 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.027 12.642 -10.634 1.00 0.00 H new ATOM 65 N GLU A 16 -5.654 10.444 -7.413 1.00 0.00 N ATOM 66 CA GLU A 16 -6.121 10.848 -6.056 1.00 0.00 C ATOM 67 C GLU A 16 -6.276 9.608 -5.169 1.00 0.00 C ATOM 68 O GLU A 16 -5.965 9.630 -3.993 1.00 0.00 O ATOM 69 CB GLU A 16 -7.475 11.549 -6.191 1.00 0.00 C ATOM 70 CG GLU A 16 -7.288 12.890 -6.908 1.00 0.00 C ATOM 71 CD GLU A 16 -8.651 13.550 -7.129 1.00 0.00 C ATOM 72 OE1 GLU A 16 -9.647 12.953 -6.754 1.00 0.00 O ATOM 73 OE2 GLU A 16 -8.675 14.644 -7.671 1.00 0.00 O ATOM 0 H GLU A 16 -6.321 10.615 -8.165 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.394 11.521 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.168 10.920 -6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.913 11.709 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.648 13.544 -6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.788 12.736 -7.864 1.00 0.00 H new ATOM 80 N GLN A 17 -6.767 8.533 -5.722 1.00 0.00 N ATOM 81 CA GLN A 17 -6.958 7.289 -4.921 1.00 0.00 C ATOM 82 C GLN A 17 -5.591 6.744 -4.483 1.00 0.00 C ATOM 83 O GLN A 17 -5.426 6.266 -3.378 1.00 0.00 O ATOM 84 CB GLN A 17 -7.677 6.246 -5.789 1.00 0.00 C ATOM 85 CG GLN A 17 -9.187 6.506 -5.783 1.00 0.00 C ATOM 86 CD GLN A 17 -9.463 7.963 -6.159 1.00 0.00 C ATOM 87 OE1 GLN A 17 -9.141 8.866 -5.413 1.00 0.00 O ATOM 88 NE2 GLN A 17 -10.054 8.233 -7.291 1.00 0.00 N ATOM 0 H GLN A 17 -7.046 8.462 -6.701 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.555 7.506 -4.035 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.297 6.287 -6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.471 5.244 -5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.683 5.839 -6.488 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.598 6.291 -4.797 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.325 7.476 -7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.245 9.201 -7.548 1.00 0.00 H new ATOM 97 N LYS A 18 -4.620 6.802 -5.350 1.00 0.00 N ATOM 98 CA LYS A 18 -3.268 6.285 -5.004 1.00 0.00 C ATOM 99 C LYS A 18 -2.673 7.108 -3.857 1.00 0.00 C ATOM 100 O LYS A 18 -2.041 6.580 -2.963 1.00 0.00 O ATOM 101 CB LYS A 18 -2.365 6.385 -6.235 1.00 0.00 C ATOM 102 CG LYS A 18 -2.827 5.376 -7.291 1.00 0.00 C ATOM 103 CD LYS A 18 -1.937 5.484 -8.532 1.00 0.00 C ATOM 104 CE LYS A 18 -2.344 4.410 -9.545 1.00 0.00 C ATOM 105 NZ LYS A 18 -3.742 4.658 -9.998 1.00 0.00 N ATOM 0 H LYS A 18 -4.706 7.188 -6.290 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.345 5.245 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.399 7.395 -6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.330 6.188 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.782 4.365 -6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.866 5.566 -7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.033 6.474 -8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.890 5.360 -8.254 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.666 4.424 -10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.267 3.421 -9.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.792 4.573 -11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.377 3.959 -9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.034 5.615 -9.715 1.00 0.00 H new ATOM 119 N GLU A 19 -2.861 8.400 -3.885 1.00 0.00 N ATOM 120 CA GLU A 19 -2.301 9.266 -2.806 1.00 0.00 C ATOM 121 C GLU A 19 -2.948 8.908 -1.465 1.00 0.00 C ATOM 122 O GLU A 19 -2.292 8.845 -0.443 1.00 0.00 O ATOM 123 CB GLU A 19 -2.606 10.730 -3.139 1.00 0.00 C ATOM 124 CG GLU A 19 -1.980 11.644 -2.082 1.00 0.00 C ATOM 125 CD GLU A 19 -2.239 13.108 -2.449 1.00 0.00 C ATOM 126 OE1 GLU A 19 -3.059 13.346 -3.319 1.00 0.00 O ATOM 127 OE2 GLU A 19 -1.611 13.967 -1.851 1.00 0.00 O ATOM 0 H GLU A 19 -3.380 8.895 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.224 9.113 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.214 10.977 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.684 10.887 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.402 11.425 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.908 11.459 -2.016 1.00 0.00 H new ATOM 134 N LYS A 20 -4.234 8.686 -1.462 1.00 0.00 N ATOM 135 CA LYS A 20 -4.939 8.344 -0.193 1.00 0.00 C ATOM 136 C LYS A 20 -4.428 7.004 0.351 1.00 0.00 C ATOM 137 O LYS A 20 -4.217 6.844 1.538 1.00 0.00 O ATOM 138 CB LYS A 20 -6.440 8.252 -0.470 1.00 0.00 C ATOM 139 CG LYS A 20 -6.983 9.644 -0.811 1.00 0.00 C ATOM 140 CD LYS A 20 -8.486 9.559 -1.097 1.00 0.00 C ATOM 141 CE LYS A 20 -9.010 10.942 -1.491 1.00 0.00 C ATOM 142 NZ LYS A 20 -8.787 11.897 -0.367 1.00 0.00 N ATOM 0 H LYS A 20 -4.830 8.727 -2.289 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.746 9.117 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.627 7.565 -1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.958 7.852 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.799 10.329 0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.460 10.046 -1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.675 8.845 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.015 9.196 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.500 11.294 -2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.072 10.886 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.645 12.465 -0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.569 11.367 0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.991 12.526 -0.598 1.00 0.00 H new ATOM 156 N VAL A 21 -4.235 6.041 -0.508 1.00 0.00 N ATOM 157 CA VAL A 21 -3.744 4.708 -0.051 1.00 0.00 C ATOM 158 C VAL A 21 -2.326 4.845 0.514 1.00 0.00 C ATOM 159 O VAL A 21 -1.990 4.263 1.528 1.00 0.00 O ATOM 160 CB VAL A 21 -3.737 3.739 -1.236 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.093 2.414 -0.818 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.174 3.480 -1.693 1.00 0.00 C ATOM 0 H VAL A 21 -4.397 6.120 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.402 4.325 0.729 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.165 4.178 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.090 1.728 -1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.068 2.594 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.662 1.976 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.169 2.790 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.744 3.045 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.634 4.420 -1.996 1.00 0.00 H new ATOM 172 N THR A 22 -1.489 5.595 -0.145 1.00 0.00 N ATOM 173 CA THR A 22 -0.087 5.768 0.334 1.00 0.00 C ATOM 174 C THR A 22 -0.086 6.405 1.725 1.00 0.00 C ATOM 175 O THR A 22 0.646 5.999 2.605 1.00 0.00 O ATOM 176 CB THR A 22 0.664 6.684 -0.636 1.00 0.00 C ATOM 177 OG1 THR A 22 0.732 6.066 -1.913 1.00 0.00 O ATOM 178 CG2 THR A 22 2.079 6.948 -0.114 1.00 0.00 C ATOM 0 H THR A 22 -1.716 6.100 -1.002 1.00 0.00 H new ATOM 0 HA THR A 22 0.399 4.794 0.383 1.00 0.00 H new ATOM 0 HB THR A 22 0.134 7.633 -0.719 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.124 6.177 -2.376 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.607 7.600 -0.809 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.023 7.428 0.863 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.616 6.004 -0.024 1.00 0.00 H new ATOM 186 N LEU A 23 -0.888 7.416 1.922 1.00 0.00 N ATOM 187 CA LEU A 23 -0.922 8.093 3.249 1.00 0.00 C ATOM 188 C LEU A 23 -1.389 7.104 4.320 1.00 0.00 C ATOM 189 O LEU A 23 -0.855 7.055 5.412 1.00 0.00 O ATOM 190 CB LEU A 23 -1.895 9.275 3.185 1.00 0.00 C ATOM 191 CG LEU A 23 -1.916 10.020 4.530 1.00 0.00 C ATOM 192 CD1 LEU A 23 -0.522 10.591 4.842 1.00 0.00 C ATOM 193 CD2 LEU A 23 -2.944 11.159 4.465 1.00 0.00 C ATOM 0 H LEU A 23 -1.521 7.802 1.221 1.00 0.00 H new ATOM 0 HA LEU A 23 0.076 8.451 3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.598 9.957 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.896 8.918 2.943 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.193 9.324 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.549 11.116 5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.201 9.777 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.228 11.285 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.961 11.689 5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.670 11.852 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.932 10.746 4.262 1.00 0.00 H new ATOM 205 N TYR A 24 -2.391 6.330 4.016 1.00 0.00 N ATOM 206 CA TYR A 24 -2.914 5.348 5.006 1.00 0.00 C ATOM 207 C TYR A 24 -1.813 4.349 5.376 1.00 0.00 C ATOM 208 O TYR A 24 -1.647 3.989 6.526 1.00 0.00 O ATOM 209 CB TYR A 24 -4.107 4.612 4.386 1.00 0.00 C ATOM 210 CG TYR A 24 -4.527 3.463 5.276 1.00 0.00 C ATOM 211 CD1 TYR A 24 -5.101 3.719 6.526 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.335 2.142 4.851 1.00 0.00 C ATOM 213 CE1 TYR A 24 -5.482 2.653 7.352 1.00 0.00 C ATOM 214 CE2 TYR A 24 -4.715 1.078 5.676 1.00 0.00 C ATOM 215 CZ TYR A 24 -5.288 1.334 6.927 1.00 0.00 C ATOM 216 OH TYR A 24 -5.661 0.284 7.741 1.00 0.00 O ATOM 0 H TYR A 24 -2.874 6.335 3.118 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.233 5.865 5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.940 5.302 4.252 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.840 4.238 3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.250 4.737 6.854 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.893 1.945 3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.926 2.850 8.317 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.566 0.060 5.348 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.457 -0.564 7.295 1.00 0.00 H new ATOM 226 N LEU A 25 -1.077 3.886 4.406 1.00 0.00 N ATOM 227 CA LEU A 25 0.002 2.896 4.682 1.00 0.00 C ATOM 228 C LEU A 25 1.068 3.507 5.594 1.00 0.00 C ATOM 229 O LEU A 25 1.560 2.868 6.500 1.00 0.00 O ATOM 230 CB LEU A 25 0.648 2.484 3.360 1.00 0.00 C ATOM 231 CG LEU A 25 -0.342 1.648 2.533 1.00 0.00 C ATOM 232 CD1 LEU A 25 0.217 1.459 1.117 1.00 0.00 C ATOM 233 CD2 LEU A 25 -0.572 0.271 3.194 1.00 0.00 C ATOM 0 H LEU A 25 -1.177 4.152 3.426 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.430 2.028 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.947 3.370 2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.553 1.908 3.551 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.297 2.171 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.482 0.867 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.355 2.433 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.176 0.943 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.275 -0.307 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.375 -0.264 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.978 0.412 4.196 1.00 0.00 H new ATOM 245 N LYS A 26 1.437 4.733 5.359 1.00 0.00 N ATOM 246 CA LYS A 26 2.483 5.370 6.208 1.00 0.00 C ATOM 247 C LYS A 26 2.011 5.450 7.664 1.00 0.00 C ATOM 248 O LYS A 26 2.776 5.243 8.587 1.00 0.00 O ATOM 249 CB LYS A 26 2.764 6.779 5.687 1.00 0.00 C ATOM 250 CG LYS A 26 3.517 6.700 4.355 1.00 0.00 C ATOM 251 CD LYS A 26 3.778 8.118 3.833 1.00 0.00 C ATOM 252 CE LYS A 26 4.612 8.048 2.551 1.00 0.00 C ATOM 253 NZ LYS A 26 4.860 9.428 2.043 1.00 0.00 N ATOM 0 H LYS A 26 1.061 5.323 4.617 1.00 0.00 H new ATOM 0 HA LYS A 26 3.391 4.769 6.165 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.828 7.321 5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.353 7.335 6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.460 6.170 4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.934 6.134 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.833 8.624 3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.302 8.704 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.559 7.546 2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.090 7.460 1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.427 9.381 1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.951 9.892 1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.375 9.975 2.762 1.00 0.00 H new ATOM 267 N HIS A 27 0.764 5.768 7.879 1.00 0.00 N ATOM 268 CA HIS A 27 0.249 5.883 9.275 1.00 0.00 C ATOM 269 C HIS A 27 0.270 4.519 9.965 1.00 0.00 C ATOM 270 O HIS A 27 0.590 4.409 11.133 1.00 0.00 O ATOM 271 CB HIS A 27 -1.185 6.401 9.238 1.00 0.00 C ATOM 272 CG HIS A 27 -1.189 7.825 8.766 1.00 0.00 C ATOM 273 ND1 HIS A 27 -0.371 8.792 9.326 1.00 0.00 N ATOM 274 CD2 HIS A 27 -1.908 8.461 7.787 1.00 0.00 C ATOM 275 CE1 HIS A 27 -0.614 9.948 8.685 1.00 0.00 C ATOM 276 NE2 HIS A 27 -1.544 9.804 7.736 1.00 0.00 N ATOM 0 H HIS A 27 0.078 5.954 7.148 1.00 0.00 H new ATOM 0 HA HIS A 27 0.885 6.572 9.831 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.789 5.784 8.573 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.633 6.334 10.229 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.295 8.652 10.086 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.645 7.992 7.152 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.118 10.881 8.910 1.00 0.00 H new ATOM 284 N ASN A 28 -0.087 3.480 9.260 1.00 0.00 N ATOM 285 CA ASN A 28 -0.105 2.123 9.879 1.00 0.00 C ATOM 286 C ASN A 28 1.223 1.423 9.613 1.00 0.00 C ATOM 287 O ASN A 28 1.474 0.335 10.107 1.00 0.00 O ATOM 288 CB ASN A 28 -1.239 1.307 9.267 1.00 0.00 C ATOM 289 CG ASN A 28 -2.584 1.845 9.764 1.00 0.00 C ATOM 290 OD1 ASN A 28 -2.643 2.537 10.762 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.674 1.557 9.106 1.00 0.00 N ATOM 0 H ASN A 28 -0.368 3.512 8.280 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.257 2.215 10.955 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.194 1.361 8.179 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.133 0.257 9.539 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.574 1.912 9.429 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.626 0.977 8.269 1.00 0.00 H new ATOM 298 N ILE A 29 2.084 2.043 8.843 1.00 0.00 N ATOM 299 CA ILE A 29 3.409 1.430 8.540 1.00 0.00 C ATOM 300 C ILE A 29 4.476 2.540 8.475 1.00 0.00 C ATOM 301 O ILE A 29 4.696 3.123 7.432 1.00 0.00 O ATOM 302 CB ILE A 29 3.350 0.696 7.202 1.00 0.00 C ATOM 303 CG1 ILE A 29 2.050 -0.109 7.139 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.548 -0.256 7.100 1.00 0.00 C ATOM 305 CD1 ILE A 29 2.021 -0.945 5.862 1.00 0.00 C ATOM 0 H ILE A 29 1.922 2.952 8.410 1.00 0.00 H new ATOM 0 HA ILE A 29 3.666 0.717 9.323 1.00 0.00 H new ATOM 0 HB ILE A 29 3.382 1.410 6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.971 -0.758 8.011 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.193 0.564 7.163 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.513 -0.784 6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.474 0.316 7.164 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.510 -0.977 7.916 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.093 -1.516 5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.080 -0.287 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.869 -1.630 5.856 1.00 0.00 H new ATOM 317 N PRO A 30 5.127 2.846 9.580 1.00 0.00 N ATOM 318 CA PRO A 30 6.170 3.920 9.627 1.00 0.00 C ATOM 319 C PRO A 30 7.448 3.505 8.891 1.00 0.00 C ATOM 320 O PRO A 30 8.288 4.322 8.565 1.00 0.00 O ATOM 321 CB PRO A 30 6.425 4.118 11.131 1.00 0.00 C ATOM 322 CG PRO A 30 6.054 2.816 11.766 1.00 0.00 C ATOM 323 CD PRO A 30 4.956 2.198 10.896 1.00 0.00 C ATOM 0 HA PRO A 30 5.847 4.835 9.131 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.468 4.367 11.324 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.823 4.935 11.528 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.918 2.155 11.826 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.699 2.970 12.785 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.067 1.116 10.824 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.966 2.390 11.309 1.00 0.00 H new ATOM 331 N ASP A 31 7.598 2.234 8.638 1.00 0.00 N ATOM 332 CA ASP A 31 8.812 1.737 7.932 1.00 0.00 C ATOM 333 C ASP A 31 8.533 1.685 6.427 1.00 0.00 C ATOM 334 O ASP A 31 9.350 1.234 5.649 1.00 0.00 O ATOM 335 CB ASP A 31 9.147 0.335 8.445 1.00 0.00 C ATOM 336 CG ASP A 31 9.604 0.416 9.904 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.892 1.513 10.354 1.00 0.00 O ATOM 338 OD2 ASP A 31 9.653 -0.618 10.547 1.00 0.00 O ATOM 0 H ASP A 31 6.924 1.512 8.893 1.00 0.00 H new ATOM 0 HA ASP A 31 9.654 2.404 8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.273 -0.311 8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.931 -0.109 7.832 1.00 0.00 H new ATOM 343 N PHE A 32 7.380 2.140 6.015 1.00 0.00 N ATOM 344 CA PHE A 32 7.038 2.115 4.567 1.00 0.00 C ATOM 345 C PHE A 32 8.176 2.729 3.748 1.00 0.00 C ATOM 346 O PHE A 32 8.747 3.739 4.110 1.00 0.00 O ATOM 347 CB PHE A 32 5.746 2.909 4.332 1.00 0.00 C ATOM 348 CG PHE A 32 5.549 3.147 2.848 1.00 0.00 C ATOM 349 CD1 PHE A 32 5.226 2.078 2.006 1.00 0.00 C ATOM 350 CD2 PHE A 32 5.703 4.435 2.319 1.00 0.00 C ATOM 351 CE1 PHE A 32 5.056 2.297 0.635 1.00 0.00 C ATOM 352 CE2 PHE A 32 5.529 4.654 0.949 1.00 0.00 C ATOM 353 CZ PHE A 32 5.207 3.586 0.106 1.00 0.00 C ATOM 0 H PHE A 32 6.659 2.529 6.623 1.00 0.00 H new ATOM 0 HA PHE A 32 6.893 1.082 4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.894 2.363 4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.794 3.862 4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.108 1.085 2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.956 5.259 2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.808 1.472 -0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.643 5.648 0.542 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.075 3.754 -0.953 1.00 0.00 H new ATOM 363 N ASN A 33 8.500 2.114 2.636 1.00 0.00 N ATOM 364 CA ASN A 33 9.593 2.632 1.761 1.00 0.00 C ATOM 365 C ASN A 33 9.006 3.155 0.450 1.00 0.00 C ATOM 366 O ASN A 33 9.106 4.325 0.137 1.00 0.00 O ATOM 367 CB ASN A 33 10.556 1.494 1.444 1.00 0.00 C ATOM 368 CG ASN A 33 11.760 2.048 0.687 1.00 0.00 C ATOM 369 OD1 ASN A 33 11.709 3.144 0.163 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.848 1.335 0.603 1.00 0.00 N ATOM 0 H ASN A 33 8.047 1.266 2.296 1.00 0.00 H new ATOM 0 HA ASN A 33 10.113 3.439 2.276 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.882 1.011 2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.054 0.734 0.846 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.657 1.696 0.098 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.890 0.416 1.043 1.00 0.00 H new ATOM 377 N THR A 34 8.403 2.297 -0.331 1.00 0.00 N ATOM 378 CA THR A 34 7.827 2.751 -1.629 1.00 0.00 C ATOM 379 C THR A 34 6.608 1.900 -1.987 1.00 0.00 C ATOM 380 O THR A 34 6.461 0.782 -1.527 1.00 0.00 O ATOM 381 CB THR A 34 8.891 2.620 -2.722 1.00 0.00 C ATOM 382 OG1 THR A 34 8.317 2.935 -3.983 1.00 0.00 O ATOM 383 CG2 THR A 34 9.432 1.189 -2.748 1.00 0.00 C ATOM 0 H THR A 34 8.285 1.305 -0.126 1.00 0.00 H new ATOM 0 HA THR A 34 7.515 3.792 -1.544 1.00 0.00 H new ATOM 0 HB THR A 34 9.709 3.309 -2.513 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.999 2.853 -4.682 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.189 1.100 -3.527 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.876 0.950 -1.782 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.617 0.495 -2.954 1.00 0.00 H new ATOM 391 N VAL A 35 5.728 2.430 -2.807 1.00 0.00 N ATOM 392 CA VAL A 35 4.501 1.677 -3.212 1.00 0.00 C ATOM 393 C VAL A 35 4.402 1.654 -4.732 1.00 0.00 C ATOM 394 O VAL A 35 4.559 2.665 -5.390 1.00 0.00 O ATOM 395 CB VAL A 35 3.259 2.367 -2.630 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.189 3.817 -3.116 1.00 0.00 C ATOM 397 CG2 VAL A 35 2.002 1.617 -3.081 1.00 0.00 C ATOM 0 H VAL A 35 5.811 3.361 -3.215 1.00 0.00 H new ATOM 0 HA VAL A 35 4.559 0.657 -2.833 1.00 0.00 H new ATOM 0 HB VAL A 35 3.322 2.358 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.305 4.299 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.081 4.353 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.131 3.834 -4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.119 2.106 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.945 1.624 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.046 0.587 -2.726 1.00 0.00 H new ATOM 407 N THR A 36 4.131 0.502 -5.295 1.00 0.00 N ATOM 408 CA THR A 36 4.001 0.385 -6.776 1.00 0.00 C ATOM 409 C THR A 36 2.591 -0.086 -7.108 1.00 0.00 C ATOM 410 O THR A 36 2.162 -1.145 -6.689 1.00 0.00 O ATOM 411 CB THR A 36 5.023 -0.626 -7.296 1.00 0.00 C ATOM 412 OG1 THR A 36 6.333 -0.160 -6.997 1.00 0.00 O ATOM 413 CG2 THR A 36 4.865 -0.784 -8.810 1.00 0.00 C ATOM 0 H THR A 36 3.993 -0.370 -4.784 1.00 0.00 H new ATOM 0 HA THR A 36 4.185 1.351 -7.247 1.00 0.00 H new ATOM 0 HB THR A 36 4.860 -1.592 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.892 -0.914 -6.717 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.595 -1.505 -9.179 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.859 -1.138 -9.036 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.029 0.178 -9.295 1.00 0.00 H new ATOM 421 N PHE A 37 1.862 0.701 -7.852 1.00 0.00 N ATOM 422 CA PHE A 37 0.469 0.325 -8.213 1.00 0.00 C ATOM 423 C PHE A 37 0.467 -0.396 -9.558 1.00 0.00 C ATOM 424 O PHE A 37 0.908 0.132 -10.560 1.00 0.00 O ATOM 425 CB PHE A 37 -0.379 1.593 -8.308 1.00 0.00 C ATOM 426 CG PHE A 37 -0.322 2.326 -6.986 1.00 0.00 C ATOM 427 CD1 PHE A 37 -0.999 1.809 -5.875 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.408 3.515 -6.870 1.00 0.00 C ATOM 429 CE1 PHE A 37 -0.950 2.480 -4.650 1.00 0.00 C ATOM 430 CE2 PHE A 37 0.458 4.187 -5.642 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.222 3.670 -4.532 1.00 0.00 C ATOM 0 H PHE A 37 2.177 1.596 -8.227 1.00 0.00 H new ATOM 0 HA PHE A 37 0.056 -0.337 -7.452 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.010 2.233 -9.109 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.410 1.338 -8.553 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.560 0.890 -5.965 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.932 3.914 -7.726 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.474 2.080 -3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.021 5.104 -5.551 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.185 4.189 -3.586 1.00 0.00 H new ATOM 441 N THR A 38 -0.034 -1.604 -9.579 1.00 0.00 N ATOM 442 CA THR A 38 -0.089 -2.394 -10.841 1.00 0.00 C ATOM 443 C THR A 38 -1.547 -2.493 -11.292 1.00 0.00 C ATOM 444 O THR A 38 -1.853 -3.097 -12.300 1.00 0.00 O ATOM 445 CB THR A 38 0.477 -3.792 -10.579 1.00 0.00 C ATOM 446 OG1 THR A 38 -0.066 -4.301 -9.370 1.00 0.00 O ATOM 447 CG2 THR A 38 2.001 -3.705 -10.459 1.00 0.00 C ATOM 0 H THR A 38 -0.413 -2.082 -8.761 1.00 0.00 H new ATOM 0 HA THR A 38 0.500 -1.911 -11.621 1.00 0.00 H new ATOM 0 HB THR A 38 0.213 -4.456 -11.402 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.294 -5.197 -9.201 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.409 -4.699 -10.272 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.417 -3.310 -11.386 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.264 -3.044 -9.633 1.00 0.00 H new ATOM 455 N ASN A 39 -2.443 -1.901 -10.544 1.00 0.00 N ATOM 456 CA ASN A 39 -3.891 -1.941 -10.913 1.00 0.00 C ATOM 457 C ASN A 39 -4.363 -3.391 -10.986 1.00 0.00 C ATOM 458 O ASN A 39 -4.700 -3.970 -9.977 1.00 0.00 O ATOM 459 CB ASN A 39 -4.113 -1.246 -12.263 1.00 0.00 C ATOM 460 CG ASN A 39 -5.606 -1.253 -12.603 1.00 0.00 C ATOM 461 OD1 ASN A 39 -6.442 -1.138 -11.729 1.00 0.00 O ATOM 462 ND2 ASN A 39 -5.977 -1.381 -13.848 1.00 0.00 N ATOM 0 H ASN A 39 -2.232 -1.388 -9.688 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.467 -1.415 -10.152 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.744 -0.221 -12.221 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.549 -1.757 -13.044 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.969 -1.384 -14.087 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.275 -1.478 -14.582 1.00 0.00 H new ATOM 469 N GLU A 40 -4.380 -3.964 -12.161 1.00 0.00 N ATOM 470 CA GLU A 40 -4.822 -5.381 -12.319 1.00 0.00 C ATOM 471 C GLU A 40 -6.267 -5.557 -11.845 1.00 0.00 C ATOM 472 O GLU A 40 -7.202 -5.481 -12.620 1.00 0.00 O ATOM 473 CB GLU A 40 -3.888 -6.309 -11.522 1.00 0.00 C ATOM 474 CG GLU A 40 -4.183 -7.775 -11.875 1.00 0.00 C ATOM 475 CD GLU A 40 -5.454 -8.238 -11.156 1.00 0.00 C ATOM 476 OE1 GLU A 40 -5.566 -7.984 -9.968 1.00 0.00 O ATOM 477 OE2 GLU A 40 -6.289 -8.849 -11.806 1.00 0.00 O ATOM 0 H GLU A 40 -4.103 -3.504 -13.028 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.776 -5.643 -13.376 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.848 -6.074 -11.748 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.027 -6.148 -10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.305 -7.881 -12.953 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.341 -8.404 -11.586 1.00 0.00 H new ATOM 484 N GLU A 41 -6.449 -5.823 -10.588 1.00 0.00 N ATOM 485 CA GLU A 41 -7.818 -6.047 -10.051 1.00 0.00 C ATOM 486 C GLU A 41 -8.704 -4.832 -10.329 1.00 0.00 C ATOM 487 O GLU A 41 -8.244 -3.707 -10.374 1.00 0.00 O ATOM 488 CB GLU A 41 -7.734 -6.281 -8.541 1.00 0.00 C ATOM 489 CG GLU A 41 -9.102 -6.729 -8.020 1.00 0.00 C ATOM 490 CD GLU A 41 -9.019 -7.000 -6.516 1.00 0.00 C ATOM 491 OE1 GLU A 41 -7.915 -7.120 -6.012 1.00 0.00 O ATOM 492 OE2 GLU A 41 -10.066 -7.085 -5.893 1.00 0.00 O ATOM 0 H GLU A 41 -5.700 -5.896 -9.899 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.254 -6.919 -10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.982 -7.039 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.422 -5.366 -8.037 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.848 -5.959 -8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.424 -7.629 -8.544 1.00 0.00 H new ATOM 499 N PHE A 42 -9.981 -5.050 -10.512 1.00 0.00 N ATOM 500 CA PHE A 42 -10.906 -3.913 -10.780 1.00 0.00 C ATOM 501 C PHE A 42 -12.305 -4.269 -10.270 1.00 0.00 C ATOM 502 O PHE A 42 -13.072 -4.932 -10.940 1.00 0.00 O ATOM 503 CB PHE A 42 -10.948 -3.641 -12.283 1.00 0.00 C ATOM 504 CG PHE A 42 -11.850 -2.465 -12.547 1.00 0.00 C ATOM 505 CD1 PHE A 42 -11.349 -1.165 -12.423 1.00 0.00 C ATOM 506 CD2 PHE A 42 -13.184 -2.673 -12.912 1.00 0.00 C ATOM 507 CE1 PHE A 42 -12.183 -0.069 -12.664 1.00 0.00 C ATOM 508 CE2 PHE A 42 -14.020 -1.576 -13.152 1.00 0.00 C ATOM 509 CZ PHE A 42 -13.520 -0.274 -13.028 1.00 0.00 C ATOM 0 H PHE A 42 -10.422 -5.969 -10.487 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.555 -3.019 -10.265 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.945 -3.436 -12.656 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -11.312 -4.521 -12.814 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.318 -1.008 -12.141 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.568 -3.678 -13.008 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.797 0.935 -12.570 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -15.051 -1.734 -13.433 1.00 0.00 H new ATOM 0 HZ PHE A 42 -14.165 0.572 -13.213 1.00 0.00 H new ATOM 519 N ASN A 43 -12.636 -3.831 -9.082 1.00 0.00 N ATOM 520 CA ASN A 43 -13.972 -4.135 -8.505 1.00 0.00 C ATOM 521 C ASN A 43 -15.065 -3.927 -9.576 1.00 0.00 C ATOM 522 O ASN A 43 -15.372 -2.809 -9.930 1.00 0.00 O ATOM 523 CB ASN A 43 -14.232 -3.200 -7.314 1.00 0.00 C ATOM 524 CG ASN A 43 -13.585 -3.781 -6.049 1.00 0.00 C ATOM 525 OD1 ASN A 43 -12.945 -4.814 -6.098 1.00 0.00 O ATOM 526 ND2 ASN A 43 -13.717 -3.158 -4.913 1.00 0.00 N ATOM 0 H ASN A 43 -12.029 -3.270 -8.484 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.996 -5.172 -8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.825 -2.210 -7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -15.304 -3.078 -7.162 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.285 -3.537 -4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.253 -2.291 -4.866 1.00 0.00 H new ATOM 533 N PRO A 44 -15.663 -4.987 -10.076 1.00 0.00 N ATOM 534 CA PRO A 44 -16.745 -4.882 -11.101 1.00 0.00 C ATOM 535 C PRO A 44 -17.842 -3.901 -10.668 1.00 0.00 C ATOM 536 O PRO A 44 -18.445 -3.226 -11.478 1.00 0.00 O ATOM 537 CB PRO A 44 -17.302 -6.313 -11.184 1.00 0.00 C ATOM 538 CG PRO A 44 -16.174 -7.196 -10.757 1.00 0.00 C ATOM 539 CD PRO A 44 -15.375 -6.395 -9.734 1.00 0.00 C ATOM 0 HA PRO A 44 -16.377 -4.505 -12.055 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -18.168 -6.437 -10.534 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -17.627 -6.551 -12.197 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.548 -8.123 -10.321 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.552 -7.472 -11.608 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.684 -6.629 -8.715 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.309 -6.612 -9.802 1.00 0.00 H new ATOM 547 N ILE A 45 -18.103 -3.827 -9.391 1.00 0.00 N ATOM 548 CA ILE A 45 -19.156 -2.901 -8.890 1.00 0.00 C ATOM 549 C ILE A 45 -18.538 -1.517 -8.680 1.00 0.00 C ATOM 550 O ILE A 45 -19.219 -0.562 -8.365 1.00 0.00 O ATOM 551 CB ILE A 45 -19.693 -3.436 -7.559 1.00 0.00 C ATOM 552 CG1 ILE A 45 -20.114 -4.904 -7.724 1.00 0.00 C ATOM 553 CG2 ILE A 45 -20.896 -2.606 -7.101 1.00 0.00 C ATOM 554 CD1 ILE A 45 -21.095 -5.056 -8.894 1.00 0.00 C ATOM 0 H ILE A 45 -17.629 -4.371 -8.670 1.00 0.00 H new ATOM 0 HA ILE A 45 -19.972 -2.829 -9.609 1.00 0.00 H new ATOM 0 HB ILE A 45 -18.907 -3.364 -6.808 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -19.234 -5.523 -7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -20.578 -5.260 -6.804 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -21.268 -2.997 -6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -20.593 -1.567 -6.971 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -21.684 -2.663 -7.852 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -21.382 -6.103 -8.995 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -21.983 -4.453 -8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -20.618 -4.720 -9.815 1.00 0.00 H new ATOM 566 N GLY A 46 -17.247 -1.401 -8.854 1.00 0.00 N ATOM 567 CA GLY A 46 -16.587 -0.083 -8.666 1.00 0.00 C ATOM 568 C GLY A 46 -15.173 -0.135 -9.239 1.00 0.00 C ATOM 569 O GLY A 46 -14.973 -0.514 -10.377 1.00 0.00 O ATOM 0 H GLY A 46 -16.624 -2.165 -9.118 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.163 0.698 -9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.552 0.170 -7.606 1.00 0.00 H new ATOM 573 N ILE A 47 -14.188 0.249 -8.463 1.00 0.00 N ATOM 574 CA ILE A 47 -12.777 0.228 -8.958 1.00 0.00 C ATOM 575 C ILE A 47 -11.866 -0.370 -7.892 1.00 0.00 C ATOM 576 O ILE A 47 -12.107 -0.241 -6.707 1.00 0.00 O ATOM 577 CB ILE A 47 -12.336 1.658 -9.283 1.00 0.00 C ATOM 578 CG1 ILE A 47 -12.346 2.515 -8.011 1.00 0.00 C ATOM 579 CG2 ILE A 47 -13.304 2.257 -10.303 1.00 0.00 C ATOM 580 CD1 ILE A 47 -11.984 3.959 -8.365 1.00 0.00 C ATOM 0 H ILE A 47 -14.302 0.577 -7.504 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.713 -0.383 -9.858 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.325 1.640 -9.691 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.330 2.480 -7.544 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.635 2.118 -7.287 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.998 3.276 -10.541 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.295 1.654 -11.211 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -14.311 2.269 -9.886 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.991 4.568 -7.461 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.991 3.986 -8.813 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.712 4.353 -9.074 1.00 0.00 H new ATOM 592 N SER A 48 -10.807 -1.017 -8.303 1.00 0.00 N ATOM 593 CA SER A 48 -9.864 -1.621 -7.320 1.00 0.00 C ATOM 594 C SER A 48 -8.443 -1.469 -7.835 1.00 0.00 C ATOM 595 O SER A 48 -8.188 -1.598 -9.017 1.00 0.00 O ATOM 596 CB SER A 48 -10.183 -3.102 -7.147 1.00 0.00 C ATOM 597 OG SER A 48 -9.384 -3.637 -6.101 1.00 0.00 O ATOM 0 H SER A 48 -10.555 -1.153 -9.282 1.00 0.00 H new ATOM 0 HA SER A 48 -9.965 -1.116 -6.360 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.240 -3.233 -6.916 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.991 -3.638 -8.077 1.00 0.00 H new ATOM 0 HG SER A 48 -9.146 -2.923 -5.473 1.00 0.00 H new ATOM 603 N ILE A 49 -7.512 -1.197 -6.956 1.00 0.00 N ATOM 604 CA ILE A 49 -6.092 -1.036 -7.380 1.00 0.00 C ATOM 605 C ILE A 49 -5.206 -1.987 -6.582 1.00 0.00 C ATOM 606 O ILE A 49 -5.160 -1.946 -5.366 1.00 0.00 O ATOM 607 CB ILE A 49 -5.653 0.408 -7.137 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.476 1.337 -8.032 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.169 0.555 -7.477 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.227 2.791 -7.634 1.00 0.00 C ATOM 0 H ILE A 49 -7.678 -1.079 -5.957 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.999 -1.270 -8.441 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.810 0.669 -6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.205 1.185 -9.077 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.536 1.101 -7.940 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.856 1.585 -7.304 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.583 -0.113 -6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.008 0.298 -8.524 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.815 3.449 -8.274 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.520 2.939 -6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.168 3.024 -7.749 1.00 0.00 H new ATOM 622 N ASP A 50 -4.491 -2.843 -7.265 1.00 0.00 N ATOM 623 CA ASP A 50 -3.590 -3.804 -6.576 1.00 0.00 C ATOM 624 C ASP A 50 -2.149 -3.331 -6.738 1.00 0.00 C ATOM 625 O ASP A 50 -1.813 -2.625 -7.678 1.00 0.00 O ATOM 626 CB ASP A 50 -3.738 -5.179 -7.225 1.00 0.00 C ATOM 627 CG ASP A 50 -2.886 -6.198 -6.467 1.00 0.00 C ATOM 628 OD1 ASP A 50 -2.422 -5.868 -5.388 1.00 0.00 O ATOM 629 OD2 ASP A 50 -2.709 -7.290 -6.979 1.00 0.00 O ATOM 0 H ASP A 50 -4.496 -2.915 -8.282 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.847 -3.864 -5.518 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.784 -5.486 -7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.428 -5.135 -8.269 1.00 0.00 H new ATOM 634 N GLY A 51 -1.289 -3.709 -5.833 1.00 0.00 N ATOM 635 CA GLY A 51 0.129 -3.276 -5.941 1.00 0.00 C ATOM 636 C GLY A 51 0.958 -3.931 -4.841 1.00 0.00 C ATOM 637 O GLY A 51 0.498 -4.812 -4.137 1.00 0.00 O ATOM 0 H GLY A 51 -1.507 -4.296 -5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.527 -3.547 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.194 -2.191 -5.860 1.00 0.00 H new ATOM 641 N TYR A 52 2.182 -3.500 -4.683 1.00 0.00 N ATOM 642 CA TYR A 52 3.061 -4.076 -3.627 1.00 0.00 C ATOM 643 C TYR A 52 3.967 -2.989 -3.065 1.00 0.00 C ATOM 644 O TYR A 52 4.129 -1.937 -3.653 1.00 0.00 O ATOM 645 CB TYR A 52 3.912 -5.207 -4.210 1.00 0.00 C ATOM 646 CG TYR A 52 4.617 -4.734 -5.461 1.00 0.00 C ATOM 647 CD1 TYR A 52 5.828 -4.038 -5.369 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.062 -5.008 -6.717 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.481 -3.612 -6.532 1.00 0.00 C ATOM 650 CE2 TYR A 52 4.717 -4.583 -7.880 1.00 0.00 C ATOM 651 CZ TYR A 52 5.927 -3.885 -7.787 1.00 0.00 C ATOM 652 OH TYR A 52 6.573 -3.469 -8.934 1.00 0.00 O ATOM 0 H TYR A 52 2.613 -2.767 -5.246 1.00 0.00 H new ATOM 0 HA TYR A 52 2.438 -4.477 -2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.644 -5.538 -3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.281 -6.065 -4.441 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.259 -3.830 -4.401 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.129 -5.547 -6.789 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.414 -3.072 -6.460 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.288 -4.794 -8.849 1.00 0.00 H new ATOM 0 HH TYR A 52 6.053 -3.741 -9.719 1.00 0.00 H new ATOM 662 N ILE A 53 4.545 -3.234 -1.913 1.00 0.00 N ATOM 663 CA ILE A 53 5.439 -2.216 -1.270 1.00 0.00 C ATOM 664 C ILE A 53 6.828 -2.804 -1.005 1.00 0.00 C ATOM 665 O ILE A 53 7.019 -4.003 -1.005 1.00 0.00 O ATOM 666 CB ILE A 53 4.815 -1.768 0.057 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.613 -2.981 0.976 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.464 -1.104 -0.210 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.149 -2.508 2.354 1.00 0.00 C ATOM 0 H ILE A 53 4.436 -4.101 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 53 5.545 -1.365 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 53 5.483 -1.056 0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.875 -3.658 0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.544 -3.540 1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.022 -0.786 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.606 -0.236 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.800 -1.815 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.006 -3.370 3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.902 -1.849 2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.208 -1.968 2.255 1.00 0.00 H new ATOM 681 N ASN A 54 7.791 -1.948 -0.777 1.00 0.00 N ATOM 682 CA ASN A 54 9.184 -2.407 -0.499 1.00 0.00 C ATOM 683 C ASN A 54 9.686 -3.279 -1.657 1.00 0.00 C ATOM 684 O ASN A 54 10.465 -4.193 -1.471 1.00 0.00 O ATOM 685 CB ASN A 54 9.217 -3.192 0.823 1.00 0.00 C ATOM 686 CG ASN A 54 8.993 -2.226 1.991 1.00 0.00 C ATOM 687 OD1 ASN A 54 9.817 -1.372 2.252 1.00 0.00 O ATOM 688 ND2 ASN A 54 7.908 -2.325 2.712 1.00 0.00 N ATOM 0 H ASN A 54 7.668 -0.935 -0.772 1.00 0.00 H new ATOM 0 HA ASN A 54 9.840 -1.541 -0.408 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.447 -3.963 0.821 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.175 -3.699 0.934 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.754 -1.686 3.492 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.215 -3.041 2.495 1.00 0.00 H new ATOM 695 N ASN A 55 9.253 -2.984 -2.853 1.00 0.00 N ATOM 696 CA ASN A 55 9.700 -3.767 -4.043 1.00 0.00 C ATOM 697 C ASN A 55 9.579 -5.264 -3.759 1.00 0.00 C ATOM 698 O ASN A 55 10.319 -6.067 -4.296 1.00 0.00 O ATOM 699 CB ASN A 55 11.153 -3.419 -4.386 1.00 0.00 C ATOM 700 CG ASN A 55 11.209 -2.014 -4.990 1.00 0.00 C ATOM 701 OD1 ASN A 55 10.206 -1.496 -5.441 1.00 0.00 O ATOM 702 ND2 ASN A 55 12.344 -1.370 -5.022 1.00 0.00 N ATOM 0 H ASN A 55 8.602 -2.226 -3.059 1.00 0.00 H new ATOM 0 HA ASN A 55 9.064 -3.512 -4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.771 -3.467 -3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.556 -4.146 -5.091 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.388 -0.434 -5.425 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.187 -1.803 -4.644 1.00 0.00 H new ATOM 709 N ASP A 56 8.642 -5.647 -2.925 1.00 0.00 N ATOM 710 CA ASP A 56 8.448 -7.094 -2.598 1.00 0.00 C ATOM 711 C ASP A 56 7.119 -7.576 -3.181 1.00 0.00 C ATOM 712 O ASP A 56 6.055 -7.232 -2.705 1.00 0.00 O ATOM 713 CB ASP A 56 8.448 -7.270 -1.080 1.00 0.00 C ATOM 714 CG ASP A 56 9.875 -7.099 -0.552 1.00 0.00 C ATOM 715 OD1 ASP A 56 10.791 -7.111 -1.360 1.00 0.00 O ATOM 716 OD2 ASP A 56 10.030 -6.958 0.650 1.00 0.00 O ATOM 0 H ASP A 56 7.998 -5.012 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 56 9.258 -7.682 -3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.786 -6.538 -0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.066 -8.256 -0.816 1.00 0.00 H new ATOM 721 N LYS A 57 7.182 -8.379 -4.210 1.00 0.00 N ATOM 722 CA LYS A 57 5.943 -8.903 -4.851 1.00 0.00 C ATOM 723 C LYS A 57 5.116 -9.674 -3.817 1.00 0.00 C ATOM 724 O LYS A 57 3.901 -9.676 -3.854 1.00 0.00 O ATOM 725 CB LYS A 57 6.335 -9.844 -5.995 1.00 0.00 C ATOM 726 CG LYS A 57 7.009 -9.049 -7.121 1.00 0.00 C ATOM 727 CD LYS A 57 7.404 -10.001 -8.256 1.00 0.00 C ATOM 728 CE LYS A 57 8.058 -9.206 -9.390 1.00 0.00 C ATOM 729 NZ LYS A 57 8.421 -10.130 -10.504 1.00 0.00 N ATOM 0 H LYS A 57 8.051 -8.697 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 57 5.350 -8.074 -5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.012 -10.615 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.450 -10.353 -6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.331 -8.282 -7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.891 -8.535 -6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.094 -10.759 -7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.524 -10.526 -8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.374 -8.437 -9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.948 -8.695 -9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.865 -9.589 -11.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.088 -10.848 -10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.563 -10.598 -10.860 1.00 0.00 H new ATOM 743 N ASN A 58 5.767 -10.334 -2.901 1.00 0.00 N ATOM 744 CA ASN A 58 5.024 -11.107 -1.867 1.00 0.00 C ATOM 745 C ASN A 58 4.172 -10.149 -1.029 1.00 0.00 C ATOM 746 O ASN A 58 3.059 -10.461 -0.651 1.00 0.00 O ATOM 747 CB ASN A 58 6.024 -11.820 -0.951 1.00 0.00 C ATOM 748 CG ASN A 58 6.725 -12.954 -1.711 1.00 0.00 C ATOM 749 OD1 ASN A 58 7.791 -13.387 -1.320 1.00 0.00 O ATOM 750 ND2 ASN A 58 6.174 -13.459 -2.781 1.00 0.00 N ATOM 0 H ASN A 58 6.783 -10.372 -2.823 1.00 0.00 H new ATOM 0 HA ASN A 58 4.381 -11.840 -2.354 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.763 -11.108 -0.583 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.507 -12.222 -0.079 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.638 -14.214 -3.286 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.279 -13.098 -3.113 1.00 0.00 H new ATOM 757 N LEU A 59 4.686 -8.987 -0.731 1.00 0.00 N ATOM 758 CA LEU A 59 3.909 -8.009 0.087 1.00 0.00 C ATOM 759 C LEU A 59 2.949 -7.244 -0.826 1.00 0.00 C ATOM 760 O LEU A 59 3.239 -6.146 -1.278 1.00 0.00 O ATOM 761 CB LEU A 59 4.872 -7.035 0.767 1.00 0.00 C ATOM 762 CG LEU A 59 5.902 -7.820 1.595 1.00 0.00 C ATOM 763 CD1 LEU A 59 6.866 -6.839 2.272 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.187 -8.666 2.665 1.00 0.00 C ATOM 0 H LEU A 59 5.612 -8.671 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 59 3.338 -8.536 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.380 -6.428 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.319 -6.351 1.410 1.00 0.00 H new ATOM 0 HG LEU A 59 6.460 -8.484 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.597 -7.394 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.382 -6.252 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.306 -6.172 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.926 -9.218 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.620 -8.012 3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.508 -9.368 2.180 1.00 0.00 H new ATOM 776 N SER A 60 1.811 -7.830 -1.112 1.00 0.00 N ATOM 777 CA SER A 60 0.817 -7.169 -2.012 1.00 0.00 C ATOM 778 C SER A 60 -0.298 -6.521 -1.194 1.00 0.00 C ATOM 779 O SER A 60 -0.522 -6.854 -0.045 1.00 0.00 O ATOM 780 CB SER A 60 0.212 -8.213 -2.947 1.00 0.00 C ATOM 781 OG SER A 60 1.254 -9.008 -3.497 1.00 0.00 O ATOM 0 H SER A 60 1.528 -8.744 -0.758 1.00 0.00 H new ATOM 0 HA SER A 60 1.325 -6.397 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.492 -8.842 -2.402 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.348 -7.724 -3.744 1.00 0.00 H new ATOM 0 HG SER A 60 0.870 -9.681 -4.097 1.00 0.00 H new ATOM 787 N PHE A 61 -1.009 -5.599 -1.792 1.00 0.00 N ATOM 788 CA PHE A 61 -2.125 -4.920 -1.078 1.00 0.00 C ATOM 789 C PHE A 61 -3.229 -4.598 -2.080 1.00 0.00 C ATOM 790 O PHE A 61 -2.979 -4.440 -3.265 1.00 0.00 O ATOM 791 CB PHE A 61 -1.622 -3.621 -0.447 1.00 0.00 C ATOM 792 CG PHE A 61 -1.189 -2.651 -1.523 1.00 0.00 C ATOM 793 CD1 PHE A 61 -2.121 -1.774 -2.093 1.00 0.00 C ATOM 794 CD2 PHE A 61 0.147 -2.619 -1.940 1.00 0.00 C ATOM 795 CE1 PHE A 61 -1.716 -0.866 -3.080 1.00 0.00 C ATOM 796 CE2 PHE A 61 0.551 -1.709 -2.925 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.380 -0.834 -3.495 1.00 0.00 C ATOM 0 H PHE A 61 -0.861 -5.287 -2.752 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.509 -5.574 -0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.410 -3.174 0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.786 -3.832 0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.152 -1.798 -1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.866 -3.296 -1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.435 -0.191 -3.520 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.582 -1.683 -3.245 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.068 -0.134 -4.255 1.00 0.00 H new ATOM 807 N THR A 62 -4.451 -4.500 -1.615 1.00 0.00 N ATOM 808 CA THR A 62 -5.590 -4.185 -2.528 1.00 0.00 C ATOM 809 C THR A 62 -6.457 -3.089 -1.912 1.00 0.00 C ATOM 810 O THR A 62 -6.814 -3.145 -0.749 1.00 0.00 O ATOM 811 CB THR A 62 -6.432 -5.443 -2.745 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.633 -6.437 -3.372 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.629 -5.108 -3.637 1.00 0.00 C ATOM 0 H THR A 62 -4.708 -4.626 -0.636 1.00 0.00 H new ATOM 0 HA THR A 62 -5.200 -3.839 -3.485 1.00 0.00 H new ATOM 0 HB THR A 62 -6.791 -5.815 -1.786 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.168 -7.246 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.229 -6.004 -3.792 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.238 -4.342 -3.157 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.274 -4.738 -4.599 1.00 0.00 H new ATOM 821 N ALA A 63 -6.808 -2.096 -2.694 1.00 0.00 N ATOM 822 CA ALA A 63 -7.664 -0.984 -2.186 1.00 0.00 C ATOM 823 C ALA A 63 -8.863 -0.814 -3.118 1.00 0.00 C ATOM 824 O ALA A 63 -8.745 -0.914 -4.324 1.00 0.00 O ATOM 825 CB ALA A 63 -6.851 0.310 -2.153 1.00 0.00 C ATOM 0 H ALA A 63 -6.533 -2.010 -3.673 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.012 -1.215 -1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.476 1.123 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.992 0.183 -1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.505 0.548 -3.159 1.00 0.00 H new ATOM 831 N GLY A 64 -10.023 -0.576 -2.554 1.00 0.00 N ATOM 832 CA GLY A 64 -11.263 -0.415 -3.374 1.00 0.00 C ATOM 833 C GLY A 64 -11.764 1.025 -3.300 1.00 0.00 C ATOM 834 O GLY A 64 -11.910 1.593 -2.230 1.00 0.00 O ATOM 0 H GLY A 64 -10.164 -0.486 -1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.059 -0.683 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.036 -1.095 -3.015 1.00 0.00 H new ATOM 838 N LYS A 65 -12.045 1.602 -4.438 1.00 0.00 N ATOM 839 CA LYS A 65 -12.558 3.001 -4.494 1.00 0.00 C ATOM 840 C LYS A 65 -11.778 3.906 -3.539 1.00 0.00 C ATOM 841 O LYS A 65 -10.587 3.756 -3.349 1.00 0.00 O ATOM 842 CB LYS A 65 -14.059 3.016 -4.122 1.00 0.00 C ATOM 843 CG LYS A 65 -14.789 4.113 -4.912 1.00 0.00 C ATOM 844 CD LYS A 65 -16.289 4.028 -4.639 1.00 0.00 C ATOM 845 CE LYS A 65 -17.010 5.105 -5.450 1.00 0.00 C ATOM 846 NZ LYS A 65 -18.477 5.004 -5.214 1.00 0.00 N ATOM 0 H LYS A 65 -11.938 1.153 -5.348 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.427 3.379 -5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.504 2.045 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.175 3.190 -3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.412 5.094 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.596 3.997 -5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.664 3.041 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.485 4.164 -3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.652 6.093 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.792 4.983 -6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.969 5.736 -5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.812 4.065 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -18.676 5.140 -4.202 1.00 0.00 H new ATOM 860 N ASP A 66 -12.453 4.853 -2.950 1.00 0.00 N ATOM 861 CA ASP A 66 -11.784 5.793 -2.015 1.00 0.00 C ATOM 862 C ASP A 66 -11.380 5.038 -0.746 1.00 0.00 C ATOM 863 O ASP A 66 -11.840 5.329 0.340 1.00 0.00 O ATOM 864 CB ASP A 66 -12.761 6.921 -1.678 1.00 0.00 C ATOM 865 CG ASP A 66 -12.062 7.972 -0.818 1.00 0.00 C ATOM 866 OD1 ASP A 66 -11.084 8.534 -1.283 1.00 0.00 O ATOM 867 OD2 ASP A 66 -12.518 8.198 0.289 1.00 0.00 O ATOM 0 H ASP A 66 -13.452 5.016 -3.080 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.888 6.215 -2.471 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.134 7.378 -2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -13.625 6.520 -1.148 1.00 0.00 H new ATOM 872 N VAL A 67 -10.520 4.065 -0.890 1.00 0.00 N ATOM 873 CA VAL A 67 -10.068 3.266 0.284 1.00 0.00 C ATOM 874 C VAL A 67 -11.286 2.750 1.055 1.00 0.00 C ATOM 875 O VAL A 67 -11.197 2.383 2.210 1.00 0.00 O ATOM 876 CB VAL A 67 -9.193 4.143 1.196 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.245 3.256 2.011 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.369 5.106 0.336 1.00 0.00 C ATOM 0 H VAL A 67 -10.108 3.788 -1.781 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.481 2.414 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.832 4.709 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.627 3.881 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.827 2.567 2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.606 2.689 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.748 5.729 0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.732 4.536 -0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.039 5.740 -0.244 1.00 0.00 H new ATOM 888 N LYS A 68 -12.422 2.717 0.418 1.00 0.00 N ATOM 889 CA LYS A 68 -13.653 2.225 1.092 1.00 0.00 C ATOM 890 C LYS A 68 -13.486 0.752 1.446 1.00 0.00 C ATOM 891 O LYS A 68 -13.853 0.322 2.523 1.00 0.00 O ATOM 892 CB LYS A 68 -14.834 2.379 0.133 1.00 0.00 C ATOM 893 CG LYS A 68 -15.092 3.864 -0.160 1.00 0.00 C ATOM 894 CD LYS A 68 -15.912 4.495 0.971 1.00 0.00 C ATOM 895 CE LYS A 68 -16.191 5.961 0.644 1.00 0.00 C ATOM 896 NZ LYS A 68 -16.981 6.563 1.752 1.00 0.00 N ATOM 0 H LYS A 68 -12.551 3.013 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.830 2.799 2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.628 1.848 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.726 1.927 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.144 4.390 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.624 3.968 -1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.850 3.955 1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.370 4.419 1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.254 6.502 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.739 6.040 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.175 7.562 1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.880 6.050 1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.441 6.498 2.638 1.00 0.00 H new ATOM 910 N ILE A 69 -12.938 -0.027 0.547 1.00 0.00 N ATOM 911 CA ILE A 69 -12.742 -1.481 0.833 1.00 0.00 C ATOM 912 C ILE A 69 -11.318 -1.877 0.466 1.00 0.00 C ATOM 913 O ILE A 69 -10.907 -1.782 -0.671 1.00 0.00 O ATOM 914 CB ILE A 69 -13.747 -2.294 0.016 1.00 0.00 C ATOM 915 CG1 ILE A 69 -15.163 -1.969 0.502 1.00 0.00 C ATOM 916 CG2 ILE A 69 -13.469 -3.788 0.208 1.00 0.00 C ATOM 917 CD1 ILE A 69 -16.192 -2.576 -0.453 1.00 0.00 C ATOM 0 H ILE A 69 -12.618 0.281 -0.371 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.903 -1.679 1.893 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.654 -2.043 -1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -15.311 -2.362 1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -15.299 -0.889 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -14.185 -4.369 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.458 -4.016 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.567 -4.044 1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -17.197 -2.341 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -16.050 -2.162 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -16.063 -3.658 -0.487 1.00 0.00 H new ATOM 929 N PHE A 70 -10.557 -2.327 1.431 1.00 0.00 N ATOM 930 CA PHE A 70 -9.147 -2.736 1.159 1.00 0.00 C ATOM 931 C PHE A 70 -8.821 -4.004 1.946 1.00 0.00 C ATOM 932 O PHE A 70 -9.384 -4.261 2.991 1.00 0.00 O ATOM 933 CB PHE A 70 -8.200 -1.611 1.582 1.00 0.00 C ATOM 934 CG PHE A 70 -8.374 -1.316 3.051 1.00 0.00 C ATOM 935 CD1 PHE A 70 -7.632 -2.022 4.004 1.00 0.00 C ATOM 936 CD2 PHE A 70 -9.276 -0.326 3.457 1.00 0.00 C ATOM 937 CE1 PHE A 70 -7.793 -1.737 5.365 1.00 0.00 C ATOM 938 CE2 PHE A 70 -9.435 -0.040 4.817 1.00 0.00 C ATOM 939 CZ PHE A 70 -8.694 -0.746 5.772 1.00 0.00 C ATOM 0 H PHE A 70 -10.854 -2.429 2.401 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.024 -2.932 0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.168 -1.898 1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.402 -0.714 0.996 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.936 -2.786 3.690 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -9.849 0.217 2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.222 -2.282 6.102 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -10.129 0.726 5.130 1.00 0.00 H new ATOM 0 HZ PHE A 70 -8.817 -0.526 6.822 1.00 0.00 H new ATOM 949 N SER A 71 -7.910 -4.800 1.448 1.00 0.00 N ATOM 950 CA SER A 71 -7.534 -6.060 2.158 1.00 0.00 C ATOM 951 C SER A 71 -6.022 -6.262 2.075 1.00 0.00 C ATOM 952 O SER A 71 -5.384 -5.878 1.112 1.00 0.00 O ATOM 953 CB SER A 71 -8.239 -7.245 1.500 1.00 0.00 C ATOM 954 OG SER A 71 -7.910 -8.435 2.205 1.00 0.00 O ATOM 0 H SER A 71 -7.408 -4.631 0.576 1.00 0.00 H new ATOM 0 HA SER A 71 -7.835 -5.990 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.318 -7.091 1.506 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.935 -7.330 0.457 1.00 0.00 H new ATOM 0 HG SER A 71 -8.362 -9.198 1.787 1.00 0.00 H new ATOM 960 N SER A 72 -5.441 -6.868 3.084 1.00 0.00 N ATOM 961 CA SER A 72 -3.965 -7.106 3.089 1.00 0.00 C ATOM 962 C SER A 72 -3.680 -8.561 3.467 1.00 0.00 C ATOM 963 O SER A 72 -4.405 -9.177 4.224 1.00 0.00 O ATOM 964 CB SER A 72 -3.309 -6.180 4.111 1.00 0.00 C ATOM 965 OG SER A 72 -1.930 -6.500 4.216 1.00 0.00 O ATOM 0 H SER A 72 -5.932 -7.210 3.910 1.00 0.00 H new ATOM 0 HA SER A 72 -3.561 -6.904 2.097 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.431 -5.140 3.808 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.794 -6.288 5.081 1.00 0.00 H new ATOM 0 HG SER A 72 -1.653 -6.451 5.155 1.00 0.00 H new ATOM 971 N SER A 73 -2.629 -9.115 2.923 1.00 0.00 N ATOM 972 CA SER A 73 -2.280 -10.533 3.213 1.00 0.00 C ATOM 973 C SER A 73 -1.640 -10.663 4.599 1.00 0.00 C ATOM 974 O SER A 73 -1.309 -9.690 5.244 1.00 0.00 O ATOM 975 CB SER A 73 -1.294 -11.027 2.156 1.00 0.00 C ATOM 976 OG SER A 73 -0.070 -10.316 2.288 1.00 0.00 O ATOM 0 H SER A 73 -1.992 -8.639 2.284 1.00 0.00 H new ATOM 0 HA SER A 73 -3.191 -11.131 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.121 -12.097 2.275 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.708 -10.880 1.159 1.00 0.00 H new ATOM 0 HG SER A 73 0.566 -10.631 1.612 1.00 0.00 H new ATOM 982 N GLU A 74 -1.472 -11.875 5.055 1.00 0.00 N ATOM 983 CA GLU A 74 -0.862 -12.109 6.393 1.00 0.00 C ATOM 984 C GLU A 74 0.569 -11.562 6.410 1.00 0.00 C ATOM 985 O GLU A 74 0.996 -10.932 7.363 1.00 0.00 O ATOM 986 CB GLU A 74 -0.827 -13.614 6.670 1.00 0.00 C ATOM 987 CG GLU A 74 -2.258 -14.178 6.765 1.00 0.00 C ATOM 988 CD GLU A 74 -2.794 -14.517 5.366 1.00 0.00 C ATOM 989 OE1 GLU A 74 -2.117 -14.211 4.398 1.00 0.00 O ATOM 990 OE2 GLU A 74 -3.886 -15.055 5.288 1.00 0.00 O ATOM 0 H GLU A 74 -1.735 -12.722 4.551 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.453 -11.602 7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.281 -14.123 5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.291 -13.806 7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.263 -15.071 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.912 -13.450 7.245 1.00 0.00 H new ATOM 997 N GLU A 75 1.313 -11.800 5.363 1.00 0.00 N ATOM 998 CA GLU A 75 2.717 -11.304 5.309 1.00 0.00 C ATOM 999 C GLU A 75 2.715 -9.778 5.383 1.00 0.00 C ATOM 1000 O GLU A 75 3.532 -9.179 6.047 1.00 0.00 O ATOM 1001 CB GLU A 75 3.355 -11.753 3.994 1.00 0.00 C ATOM 1002 CG GLU A 75 3.532 -13.272 4.006 1.00 0.00 C ATOM 1003 CD GLU A 75 4.068 -13.738 2.649 1.00 0.00 C ATOM 1004 OE1 GLU A 75 4.252 -12.896 1.786 1.00 0.00 O ATOM 1005 OE2 GLU A 75 4.281 -14.929 2.497 1.00 0.00 O ATOM 0 H GLU A 75 1.007 -12.319 4.540 1.00 0.00 H new ATOM 0 HA GLU A 75 3.286 -11.706 6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.728 -11.456 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.320 -11.265 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.221 -13.562 4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.579 -13.758 4.218 1.00 0.00 H new ATOM 1012 N LEU A 76 1.801 -9.149 4.705 1.00 0.00 N ATOM 1013 CA LEU A 76 1.731 -7.662 4.740 1.00 0.00 C ATOM 1014 C LEU A 76 1.038 -7.217 6.031 1.00 0.00 C ATOM 1015 O LEU A 76 1.242 -6.122 6.516 1.00 0.00 O ATOM 1016 CB LEU A 76 0.942 -7.169 3.522 1.00 0.00 C ATOM 1017 CG LEU A 76 0.738 -5.649 3.594 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.092 -4.936 3.699 1.00 0.00 C ATOM 1019 CD2 LEU A 76 0.014 -5.178 2.329 1.00 0.00 C ATOM 0 H LEU A 76 1.095 -9.601 4.124 1.00 0.00 H new ATOM 0 HA LEU A 76 2.736 -7.240 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.475 -7.428 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.025 -7.670 3.480 1.00 0.00 H new ATOM 0 HG LEU A 76 0.143 -5.410 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.933 -3.859 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.610 -5.269 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.697 -5.173 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.134 -4.099 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.614 -5.425 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.954 -5.674 2.258 1.00 0.00 H new ATOM 1031 N ASP A 77 0.196 -8.053 6.571 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.543 -7.690 7.814 1.00 0.00 C ATOM 1033 C ASP A 77 0.439 -7.456 8.965 1.00 0.00 C ATOM 1034 O ASP A 77 0.243 -6.584 9.787 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.482 -8.837 8.178 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.277 -8.474 9.433 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -1.984 -7.447 10.022 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -3.164 -9.235 9.787 1.00 0.00 O ATOM 0 H ASP A 77 -0.014 -8.980 6.202 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.110 -6.775 7.644 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.162 -9.039 7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.909 -9.748 8.350 1.00 0.00 H new ATOM 1043 N LYS A 78 1.478 -8.240 9.041 1.00 0.00 N ATOM 1044 CA LYS A 78 2.461 -8.078 10.153 1.00 0.00 C ATOM 1045 C LYS A 78 3.055 -6.663 10.120 1.00 0.00 C ATOM 1046 O LYS A 78 3.480 -6.133 11.123 1.00 0.00 O ATOM 1047 CB LYS A 78 3.571 -9.133 9.978 1.00 0.00 C ATOM 1048 CG LYS A 78 4.620 -8.649 8.964 1.00 0.00 C ATOM 1049 CD LYS A 78 5.547 -9.800 8.581 1.00 0.00 C ATOM 1050 CE LYS A 78 6.588 -9.294 7.581 1.00 0.00 C ATOM 1051 NZ LYS A 78 7.485 -10.416 7.188 1.00 0.00 N ATOM 0 H LYS A 78 1.691 -8.988 8.381 1.00 0.00 H new ATOM 0 HA LYS A 78 1.970 -8.219 11.116 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.048 -9.330 10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.137 -10.074 9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 78 4.125 -8.259 8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.200 -7.831 9.391 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.040 -10.197 9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.972 -10.616 8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.093 -8.884 6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.171 -8.486 8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.193 -10.073 6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.967 -10.787 8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.923 -11.173 6.749 1.00 0.00 H new ATOM 1065 N MET A 79 3.118 -6.073 8.962 1.00 0.00 N ATOM 1066 CA MET A 79 3.711 -4.714 8.842 1.00 0.00 C ATOM 1067 C MET A 79 2.851 -3.708 9.608 1.00 0.00 C ATOM 1068 O MET A 79 3.348 -2.759 10.181 1.00 0.00 O ATOM 1069 CB MET A 79 3.760 -4.314 7.367 1.00 0.00 C ATOM 1070 CG MET A 79 4.677 -5.267 6.591 1.00 0.00 C ATOM 1071 SD MET A 79 6.378 -5.130 7.202 1.00 0.00 S ATOM 1072 CE MET A 79 6.693 -3.434 6.649 1.00 0.00 C ATOM 0 H MET A 79 2.782 -6.476 8.087 1.00 0.00 H new ATOM 0 HA MET A 79 4.719 -4.720 9.258 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.756 -4.337 6.943 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.123 -3.291 7.272 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.325 -6.293 6.700 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.644 -5.030 5.528 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.696 -3.369 6.228 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.962 -3.157 5.889 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.610 -2.754 7.497 1.00 0.00 H new ATOM 1082 N PHE A 80 1.562 -3.899 9.607 1.00 0.00 N ATOM 1083 CA PHE A 80 0.671 -2.945 10.319 1.00 0.00 C ATOM 1084 C PHE A 80 0.968 -2.978 11.819 1.00 0.00 C ATOM 1085 O PHE A 80 1.130 -4.028 12.411 1.00 0.00 O ATOM 1086 CB PHE A 80 -0.793 -3.340 10.073 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.231 -2.860 8.704 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -0.643 -3.395 7.551 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.224 -1.877 8.587 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -1.045 -2.948 6.285 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -2.627 -1.431 7.323 1.00 0.00 C ATOM 1092 CZ PHE A 80 -2.036 -1.966 6.172 1.00 0.00 C ATOM 0 H PHE A 80 1.088 -4.674 9.144 1.00 0.00 H new ATOM 0 HA PHE A 80 0.846 -1.936 9.944 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.904 -4.422 10.142 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.431 -2.905 10.842 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.121 -4.153 7.638 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.679 -1.463 9.475 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.590 -3.361 5.397 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.393 -0.675 7.236 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.345 -1.621 5.196 1.00 0.00 H new ATOM 1102 N GLN A 81 1.041 -1.821 12.432 1.00 0.00 N ATOM 1103 CA GLN A 81 1.327 -1.743 13.898 1.00 0.00 C ATOM 1104 C GLN A 81 0.092 -1.224 14.625 1.00 0.00 C ATOM 1105 O GLN A 81 -0.078 -1.446 15.808 1.00 0.00 O ATOM 1106 CB GLN A 81 2.487 -0.776 14.130 1.00 0.00 C ATOM 1107 CG GLN A 81 3.773 -1.391 13.579 1.00 0.00 C ATOM 1108 CD GLN A 81 4.932 -0.408 13.750 1.00 0.00 C ATOM 1109 OE1 GLN A 81 4.764 0.658 14.309 1.00 0.00 O ATOM 1110 NE2 GLN A 81 6.111 -0.727 13.291 1.00 0.00 N ATOM 0 H GLN A 81 0.913 -0.919 11.974 1.00 0.00 H new ATOM 0 HA GLN A 81 1.587 -2.732 14.275 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.286 0.176 13.639 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.596 -0.569 15.195 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.994 -2.322 14.100 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.646 -1.638 12.525 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.251 -1.622 12.822 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.893 -0.081 13.401 1.00 0.00 H new ATOM 1119 N GLU A 82 -0.770 -0.524 13.924 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.005 0.031 14.561 1.00 0.00 C ATOM 1121 C GLU A 82 -3.241 -0.658 13.967 1.00 0.00 C ATOM 1122 O GLU A 82 -3.157 -1.319 12.950 1.00 0.00 O ATOM 1123 CB GLU A 82 -2.081 1.555 14.325 1.00 0.00 C ATOM 1124 CG GLU A 82 -0.674 2.110 14.131 1.00 0.00 C ATOM 1125 CD GLU A 82 -0.736 3.636 14.053 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -1.830 4.156 13.906 1.00 0.00 O ATOM 1127 OE2 GLU A 82 0.310 4.255 14.139 1.00 0.00 O ATOM 0 H GLU A 82 -0.669 -0.313 12.931 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.972 -0.155 15.635 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.692 1.768 13.448 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.562 2.042 15.174 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.033 1.803 14.957 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.234 1.706 13.219 1.00 0.00 H new ATOM 1134 N PRO A 83 -4.388 -0.506 14.591 1.00 0.00 N ATOM 1135 CA PRO A 83 -5.660 -1.131 14.103 1.00 0.00 C ATOM 1136 C PRO A 83 -6.022 -0.699 12.672 1.00 0.00 C ATOM 1137 O PRO A 83 -5.749 0.413 12.257 1.00 0.00 O ATOM 1138 CB PRO A 83 -6.720 -0.635 15.108 1.00 0.00 C ATOM 1139 CG PRO A 83 -5.949 -0.266 16.331 1.00 0.00 C ATOM 1140 CD PRO A 83 -4.615 0.267 15.828 1.00 0.00 C ATOM 0 HA PRO A 83 -5.581 -2.217 14.053 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.268 0.221 14.714 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.454 -1.412 15.323 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.477 0.488 16.915 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.806 -1.130 16.980 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.658 1.338 15.631 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.818 0.108 16.554 1.00 0.00 H new ATOM 1148 N ARG A 84 -6.628 -1.578 11.918 1.00 0.00 N ATOM 1149 CA ARG A 84 -7.003 -1.236 10.518 1.00 0.00 C ATOM 1150 C ARG A 84 -8.097 -0.169 10.531 1.00 0.00 C ATOM 1151 O ARG A 84 -9.142 -0.342 11.129 1.00 0.00 O ATOM 1152 CB ARG A 84 -7.519 -2.493 9.814 1.00 0.00 C ATOM 1153 CG ARG A 84 -6.371 -3.492 9.652 1.00 0.00 C ATOM 1154 CD ARG A 84 -6.896 -4.796 9.042 1.00 0.00 C ATOM 1155 NE ARG A 84 -7.396 -4.531 7.663 1.00 0.00 N ATOM 1156 CZ ARG A 84 -7.974 -5.481 6.973 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -8.109 -6.675 7.483 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -8.414 -5.235 5.769 1.00 0.00 N ATOM 0 H ARG A 84 -6.879 -2.521 12.214 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.132 -0.852 9.987 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.327 -2.941 10.392 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.931 -2.234 8.839 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.596 -3.068 9.014 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.912 -3.692 10.620 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.103 -5.543 9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.697 -5.203 9.659 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.287 -3.603 7.254 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.763 -6.870 8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.560 -7.413 6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.307 -4.304 5.367 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.865 -5.974 5.230 1.00 0.00 H new ATOM 1172 N LYS A 85 -7.859 0.937 9.872 1.00 0.00 N ATOM 1173 CA LYS A 85 -8.869 2.037 9.837 1.00 0.00 C ATOM 1174 C LYS A 85 -9.014 2.566 8.416 1.00 0.00 C ATOM 1175 O LYS A 85 -8.126 2.445 7.594 1.00 0.00 O ATOM 1176 CB LYS A 85 -8.416 3.167 10.758 1.00 0.00 C ATOM 1177 CG LYS A 85 -8.377 2.675 12.212 1.00 0.00 C ATOM 1178 CD LYS A 85 -9.799 2.381 12.714 1.00 0.00 C ATOM 1179 CE LYS A 85 -9.805 2.334 14.241 1.00 0.00 C ATOM 1180 NZ LYS A 85 -11.187 2.048 14.714 1.00 0.00 N ATOM 0 H LYS A 85 -7.001 1.126 9.353 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.832 1.652 10.173 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.429 3.519 10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -9.096 4.014 10.670 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.766 1.775 12.282 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.909 3.428 12.846 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.486 3.150 12.361 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.149 1.431 12.310 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.119 1.565 14.596 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.457 3.284 14.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.198 2.015 15.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.829 2.797 14.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.501 1.132 14.335 1.00 0.00 H new ATOM 1194 N GLY A 86 -10.147 3.131 8.119 1.00 0.00 N ATOM 1195 CA GLY A 86 -10.393 3.654 6.755 1.00 0.00 C ATOM 1196 C GLY A 86 -9.706 5.006 6.560 1.00 0.00 C ATOM 1197 O GLY A 86 -9.276 5.652 7.501 1.00 0.00 O ATOM 0 H GLY A 86 -10.921 3.253 8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.023 2.943 6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.465 3.758 6.588 1.00 0.00 H new ATOM 1201 N TYR A 87 -9.617 5.432 5.331 1.00 0.00 N ATOM 1202 CA TYR A 87 -8.981 6.738 5.014 1.00 0.00 C ATOM 1203 C TYR A 87 -9.753 7.866 5.710 1.00 0.00 C ATOM 1204 O TYR A 87 -9.175 8.791 6.246 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.017 6.944 3.500 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.459 8.303 3.157 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.082 8.534 3.242 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.317 9.332 2.746 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.562 9.791 2.918 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -8.797 10.589 2.423 1.00 0.00 C ATOM 1211 CZ TYR A 87 -7.420 10.820 2.508 1.00 0.00 C ATOM 1212 OH TYR A 87 -6.907 12.060 2.190 1.00 0.00 O ATOM 0 H TYR A 87 -9.965 4.920 4.520 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.949 6.747 5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.436 6.166 3.004 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.041 6.858 3.136 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.420 7.741 3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.380 9.154 2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.499 9.969 2.984 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.459 11.382 2.108 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.637 12.658 1.924 1.00 0.00 H new ATOM 1222 N ASP A 88 -11.058 7.800 5.686 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.882 8.867 6.329 1.00 0.00 C ATOM 1224 C ASP A 88 -11.651 8.882 7.844 1.00 0.00 C ATOM 1225 O ASP A 88 -11.670 9.923 8.471 1.00 0.00 O ATOM 1226 CB ASP A 88 -13.362 8.599 6.043 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.705 7.149 6.402 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -13.009 6.263 5.933 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.663 6.951 7.131 1.00 0.00 O ATOM 0 H ASP A 88 -11.591 7.050 5.247 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.591 9.835 5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.983 9.283 6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.578 8.784 4.991 1.00 0.00 H new ATOM 1234 N GLU A 89 -11.441 7.741 8.435 1.00 0.00 N ATOM 1235 CA GLU A 89 -11.220 7.681 9.910 1.00 0.00 C ATOM 1236 C GLU A 89 -9.922 8.409 10.277 1.00 0.00 C ATOM 1237 O GLU A 89 -9.884 9.203 11.194 1.00 0.00 O ATOM 1238 CB GLU A 89 -11.118 6.212 10.346 1.00 0.00 C ATOM 1239 CG GLU A 89 -12.508 5.552 10.360 1.00 0.00 C ATOM 1240 CD GLU A 89 -12.928 5.173 8.937 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -12.200 5.499 8.018 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -13.962 4.546 8.794 1.00 0.00 O ATOM 0 H GLU A 89 -11.412 6.840 7.959 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.056 8.163 10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.460 5.671 9.667 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.671 6.152 11.338 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.490 4.663 10.991 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.239 6.235 10.793 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.857 8.138 9.574 1.00 0.00 N ATOM 1250 CA ILE A 90 -7.567 8.810 9.895 1.00 0.00 C ATOM 1251 C ILE A 90 -7.640 10.295 9.522 1.00 0.00 C ATOM 1252 O ILE A 90 -7.060 11.136 10.181 1.00 0.00 O ATOM 1253 CB ILE A 90 -6.422 8.126 9.138 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.718 8.107 7.636 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -6.277 6.685 9.636 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.469 7.665 6.857 1.00 0.00 C ATOM 0 H ILE A 90 -8.824 7.482 8.793 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.379 8.729 10.966 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.500 8.679 9.315 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.545 7.427 7.429 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.030 9.098 7.306 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.464 6.195 9.100 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.057 6.689 10.704 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.206 6.144 9.459 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.690 7.655 5.790 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.653 8.361 7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.176 6.665 7.176 1.00 0.00 H new ATOM 1268 N LEU A 91 -8.325 10.627 8.461 1.00 0.00 N ATOM 1269 CA LEU A 91 -8.407 12.056 8.047 1.00 0.00 C ATOM 1270 C LEU A 91 -9.117 12.862 9.139 1.00 0.00 C ATOM 1271 O LEU A 91 -8.714 13.955 9.480 1.00 0.00 O ATOM 1272 CB LEU A 91 -9.189 12.164 6.732 1.00 0.00 C ATOM 1273 CG LEU A 91 -9.299 13.633 6.293 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -7.898 14.243 6.116 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -10.062 13.707 4.963 1.00 0.00 C ATOM 0 H LEU A 91 -8.830 9.972 7.865 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.402 12.453 7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.691 11.582 5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.185 11.740 6.858 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.833 14.195 7.059 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.991 15.284 5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.358 14.194 7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.351 13.685 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.143 14.747 4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.526 13.138 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.060 13.289 5.092 1.00 0.00 H new ATOM 1287 N GLU A 92 -10.179 12.331 9.680 1.00 0.00 N ATOM 1288 CA GLU A 92 -10.921 13.059 10.743 1.00 0.00 C ATOM 1289 C GLU A 92 -10.055 13.153 11.998 1.00 0.00 C ATOM 1290 O GLU A 92 -10.068 14.145 12.701 1.00 0.00 O ATOM 1291 CB GLU A 92 -12.208 12.299 11.072 1.00 0.00 C ATOM 1292 CG GLU A 92 -13.176 12.385 9.888 1.00 0.00 C ATOM 1293 CD GLU A 92 -14.416 11.533 10.174 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -14.464 10.926 11.232 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -15.297 11.503 9.330 1.00 0.00 O ATOM 0 H GLU A 92 -10.565 11.421 9.429 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.165 14.062 10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.980 11.256 11.292 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.672 12.719 11.964 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.466 13.422 9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.686 12.038 8.979 1.00 0.00 H new