USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 648 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 77 LYS NZ :NH3+ -121:sc= 0.994 (180deg=-0.399) USER MOD Set 1.2: A 93 TYR OH : rot 41:sc= 1.2 USER MOD Set 2.1: A 56 SER OG : rot 170:sc= -0.033 USER MOD Set 2.2: A 57 MET CE :methyl 173:sc= -3.17! (180deg=-3.66!) USER MOD Set 3.1: A 45 LYS NZ :NH3+ -134:sc= 0.773 (180deg=0) USER MOD Set 3.2: A 55 ASN : amide:sc= 0.0424 K(o=0.82,f=-6.7!) USER MOD Set 4.1: A 43 CYS SG : rot 67:sc= 0.76 USER MOD Set 4.2: A 48 ASN : amide:sc= -1.2! C(o=-0.45!,f=-6.8!) USER MOD Set 5.1: A 33 GLN : amide:sc= 1.49 K(o=2.3,f=-1.5) USER MOD Set 5.2: A 76 LYS NZ :NH3+ -131:sc= 0.852 (180deg=0) USER MOD Set 6.1: A 19 THR OG1 : rot 76:sc= 0.562 USER MOD Set 6.2: A 24 GLN : amide:sc= -0.754 K(o=-0.19,f=-3.4!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -2.18! C(o=-2.2!,f=-7.9!) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.295 F(o=-3.8!,f=-0.3) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0367 F(o=-1.1,f=-0.037) USER MOD Single : A 38 THR OG1 : rot -74:sc= 0.0996 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.00083 USER MOD Single : A 47 GLN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0132 F(o=-1.5!,f=-0.013) USER MOD Single : A 50 SER OG : rot -110:sc= -0.0359 USER MOD Single : A 54 SER OG : rot -118:sc= 1.25 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0311 K(o=-0.031,f=-2.7!) USER MOD Single : A 65 LYS NZ :NH3+ 151:sc= 1.87 (180deg=0.459) USER MOD Single : A 67 TYR OH : rot 19:sc= 1.22 USER MOD Single : A 70 MET CE :methyl -107:sc= -1.82 (180deg=-5.61!) USER MOD Single : A 71 GLN : amide:sc= -0.019 K(o=-0.019,f=-1.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -167:sc= -1.35 (180deg=-1.55) USER MOD Single : A 87 TYR OH : rot 130:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0291 K(o=-0.029,f=-2!) USER MOD Single : A 92 THR OG1 : rot 5:sc= 0.584 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 19 13.604 -9.970 -3.553 1.00 0.00 N ATOM 2 CA THR A 19 12.178 -9.980 -3.163 1.00 0.00 C ATOM 3 C THR A 19 11.279 -10.230 -4.371 1.00 0.00 C ATOM 4 O THR A 19 10.559 -11.227 -4.427 1.00 0.00 O ATOM 5 CB THR A 19 11.779 -8.654 -2.481 1.00 0.00 C ATOM 6 OG1 THR A 19 12.608 -8.426 -1.330 1.00 0.00 O ATOM 7 CG2 THR A 19 10.315 -8.675 -2.056 1.00 0.00 C ATOM 0 HA THR A 19 12.042 -10.794 -2.451 1.00 0.00 H new ATOM 0 HB THR A 19 11.920 -7.848 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.496 -8.131 -1.620 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.061 -7.729 -1.578 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.684 -8.820 -2.933 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.152 -9.492 -1.353 1.00 0.00 H new ATOM 15 N ILE A 20 11.340 -9.337 -5.348 1.00 0.00 N ATOM 16 CA ILE A 20 10.487 -9.434 -6.531 1.00 0.00 C ATOM 17 C ILE A 20 10.923 -8.433 -7.602 1.00 0.00 C ATOM 18 O ILE A 20 10.986 -8.768 -8.785 1.00 0.00 O ATOM 19 CB ILE A 20 8.981 -9.243 -6.157 1.00 0.00 C ATOM 20 CG1 ILE A 20 8.059 -9.461 -7.374 1.00 0.00 C ATOM 21 CG2 ILE A 20 8.735 -7.874 -5.528 1.00 0.00 C ATOM 22 CD1 ILE A 20 7.900 -8.258 -8.282 1.00 0.00 C ATOM 0 H ILE A 20 11.971 -8.535 -5.348 1.00 0.00 H new ATOM 0 HA ILE A 20 10.599 -10.436 -6.945 1.00 0.00 H new ATOM 0 HB ILE A 20 8.735 -10.004 -5.416 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.449 -10.292 -7.962 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.074 -9.759 -7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.679 -7.772 -5.279 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.332 -7.778 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.018 -7.093 -6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.234 -8.511 -9.107 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.477 -7.428 -7.716 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.874 -7.969 -8.677 1.00 0.00 H new ATOM 34 N ASP A 21 11.251 -7.222 -7.181 1.00 0.00 N ATOM 35 CA ASP A 21 11.583 -6.151 -8.109 1.00 0.00 C ATOM 36 C ASP A 21 12.667 -5.278 -7.483 1.00 0.00 C ATOM 37 O ASP A 21 13.489 -5.775 -6.712 1.00 0.00 O ATOM 38 CB ASP A 21 10.315 -5.329 -8.395 1.00 0.00 C ATOM 39 CG ASP A 21 10.397 -4.518 -9.678 1.00 0.00 C ATOM 40 OD1 ASP A 21 10.898 -3.381 -9.636 1.00 0.00 O ATOM 41 OD2 ASP A 21 9.976 -5.025 -10.738 1.00 0.00 O ATOM 0 H ASP A 21 11.295 -6.955 -6.198 1.00 0.00 H new ATOM 0 HA ASP A 21 11.957 -6.556 -9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.460 -6.003 -8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.132 -4.654 -7.559 1.00 0.00 H new ATOM 46 N VAL A 22 12.675 -3.990 -7.795 1.00 0.00 N ATOM 47 CA VAL A 22 13.531 -3.045 -7.088 1.00 0.00 C ATOM 48 C VAL A 22 13.010 -2.882 -5.658 1.00 0.00 C ATOM 49 O VAL A 22 13.688 -2.360 -4.771 1.00 0.00 O ATOM 50 CB VAL A 22 13.575 -1.671 -7.803 1.00 0.00 C ATOM 51 CG1 VAL A 22 12.205 -1.030 -7.849 1.00 0.00 C ATOM 52 CG2 VAL A 22 14.580 -0.742 -7.140 1.00 0.00 C ATOM 0 H VAL A 22 12.101 -3.575 -8.530 1.00 0.00 H new ATOM 0 HA VAL A 22 14.549 -3.435 -7.074 1.00 0.00 H new ATOM 0 HB VAL A 22 13.898 -1.846 -8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.270 -0.068 -8.357 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.517 -1.680 -8.390 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.839 -0.880 -6.833 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.590 0.215 -7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.298 -0.585 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.573 -1.190 -7.183 1.00 0.00 H new ATOM 62 N LEU A 23 11.790 -3.361 -5.460 1.00 0.00 N ATOM 63 CA LEU A 23 11.135 -3.342 -4.166 1.00 0.00 C ATOM 64 C LEU A 23 11.734 -4.417 -3.267 1.00 0.00 C ATOM 65 O LEU A 23 11.172 -5.502 -3.117 1.00 0.00 O ATOM 66 CB LEU A 23 9.634 -3.583 -4.351 1.00 0.00 C ATOM 67 CG LEU A 23 8.989 -2.821 -5.516 1.00 0.00 C ATOM 68 CD1 LEU A 23 7.511 -3.164 -5.629 1.00 0.00 C ATOM 69 CD2 LEU A 23 9.181 -1.319 -5.353 1.00 0.00 C ATOM 0 H LEU A 23 11.225 -3.776 -6.201 1.00 0.00 H new ATOM 0 HA LEU A 23 11.285 -2.370 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.469 -4.650 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.122 -3.307 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 23 9.483 -3.128 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.072 -2.613 -6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.398 -4.234 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.002 -2.891 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.715 -0.800 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.719 -0.992 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.246 -1.089 -5.330 1.00 0.00 H new ATOM 81 N GLN A 24 12.889 -4.114 -2.701 1.00 0.00 N ATOM 82 CA GLN A 24 13.584 -5.042 -1.825 1.00 0.00 C ATOM 83 C GLN A 24 13.210 -4.790 -0.374 1.00 0.00 C ATOM 84 O GLN A 24 13.245 -3.651 0.086 1.00 0.00 O ATOM 85 CB GLN A 24 15.099 -4.891 -1.979 1.00 0.00 C ATOM 86 CG GLN A 24 15.640 -5.242 -3.357 1.00 0.00 C ATOM 87 CD GLN A 24 15.612 -6.733 -3.648 1.00 0.00 C ATOM 88 OE1 GLN A 24 14.730 -7.457 -3.195 1.00 0.00 O ATOM 89 NE2 GLN A 24 16.599 -7.203 -4.392 1.00 0.00 N ATOM 0 H GLN A 24 13.369 -3.224 -2.834 1.00 0.00 H new ATOM 0 HA GLN A 24 13.287 -6.052 -2.106 1.00 0.00 H new ATOM 0 HB2 GLN A 24 15.372 -3.861 -1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 24 15.590 -5.524 -1.240 1.00 0.00 H new ATOM 0 HG2 GLN A 24 15.055 -4.719 -4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 24 16.665 -4.881 -3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 24 17.314 -6.570 -4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 24 16.646 -8.199 -4.607 1.00 0.00 H new ATOM 98 N PHE A 25 12.845 -5.841 0.342 1.00 0.00 N ATOM 99 CA PHE A 25 12.609 -5.730 1.776 1.00 0.00 C ATOM 100 C PHE A 25 13.760 -6.352 2.534 1.00 0.00 C ATOM 101 O PHE A 25 14.124 -7.507 2.319 1.00 0.00 O ATOM 102 CB PHE A 25 11.289 -6.384 2.189 1.00 0.00 C ATOM 103 CG PHE A 25 10.092 -5.802 1.491 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.670 -4.513 1.770 1.00 0.00 C ATOM 105 CD2 PHE A 25 9.386 -6.548 0.558 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.567 -3.978 1.134 1.00 0.00 C ATOM 107 CE2 PHE A 25 8.282 -6.016 -0.081 1.00 0.00 C ATOM 108 CZ PHE A 25 7.888 -4.724 0.189 1.00 0.00 C ATOM 0 H PHE A 25 12.706 -6.776 -0.041 1.00 0.00 H new ATOM 0 HA PHE A 25 12.539 -4.670 2.022 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.340 -7.452 1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.160 -6.277 3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.210 -3.919 2.493 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.702 -7.555 0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.236 -2.979 1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.729 -6.613 -0.791 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.049 -4.294 -0.338 1.00 0.00 H new ATOM 118 N LYS A 26 14.338 -5.538 3.402 1.00 0.00 N ATOM 119 CA LYS A 26 15.468 -5.915 4.229 1.00 0.00 C ATOM 120 C LYS A 26 15.172 -7.162 5.047 1.00 0.00 C ATOM 121 O LYS A 26 16.047 -7.995 5.278 1.00 0.00 O ATOM 122 CB LYS A 26 15.799 -4.732 5.140 1.00 0.00 C ATOM 123 CG LYS A 26 16.351 -5.100 6.504 1.00 0.00 C ATOM 124 CD LYS A 26 15.292 -4.907 7.577 1.00 0.00 C ATOM 125 CE LYS A 26 15.897 -4.406 8.879 1.00 0.00 C ATOM 126 NZ LYS A 26 16.747 -5.429 9.545 1.00 0.00 N ATOM 0 H LYS A 26 14.027 -4.578 3.553 1.00 0.00 H new ATOM 0 HA LYS A 26 16.321 -6.155 3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.524 -4.095 4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.896 -4.138 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.687 -6.137 6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.221 -4.484 6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.543 -4.197 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.777 -5.851 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.494 -3.517 8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.097 -4.107 9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.135 -5.037 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.174 -6.269 9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.528 -5.697 8.912 1.00 0.00 H new ATOM 140 N ASP A 27 13.931 -7.278 5.465 1.00 0.00 N ATOM 141 CA ASP A 27 13.491 -8.358 6.321 1.00 0.00 C ATOM 142 C ASP A 27 11.973 -8.355 6.334 1.00 0.00 C ATOM 143 O ASP A 27 11.372 -7.428 5.781 1.00 0.00 O ATOM 144 CB ASP A 27 14.063 -8.175 7.739 1.00 0.00 C ATOM 145 CG ASP A 27 13.456 -9.106 8.776 1.00 0.00 C ATOM 146 OD1 ASP A 27 13.663 -10.330 8.684 1.00 0.00 O ATOM 147 OD2 ASP A 27 12.752 -8.605 9.674 1.00 0.00 O ATOM 0 H ASP A 27 13.192 -6.620 5.218 1.00 0.00 H new ATOM 0 HA ASP A 27 13.850 -9.317 5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.141 -8.335 7.708 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.903 -7.144 8.054 1.00 0.00 H new ATOM 152 N GLU A 28 11.348 -9.351 6.947 1.00 0.00 N ATOM 153 CA GLU A 28 9.898 -9.369 7.066 1.00 0.00 C ATOM 154 C GLU A 28 9.421 -8.082 7.736 1.00 0.00 C ATOM 155 O GLU A 28 8.315 -7.620 7.484 1.00 0.00 O ATOM 156 CB GLU A 28 9.432 -10.588 7.869 1.00 0.00 C ATOM 157 CG GLU A 28 9.511 -10.403 9.377 1.00 0.00 C ATOM 158 CD GLU A 28 9.998 -11.643 10.093 1.00 0.00 C ATOM 159 OE1 GLU A 28 9.733 -12.761 9.605 1.00 0.00 O ATOM 160 OE2 GLU A 28 10.647 -11.501 11.149 1.00 0.00 O ATOM 0 H GLU A 28 11.819 -10.152 7.367 1.00 0.00 H new ATOM 0 HA GLU A 28 9.467 -9.436 6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.403 -10.819 7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.038 -11.449 7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.180 -9.572 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.526 -10.132 9.758 1.00 0.00 H new ATOM 167 N ALA A 29 10.285 -7.500 8.570 1.00 0.00 N ATOM 168 CA ALA A 29 9.979 -6.250 9.252 1.00 0.00 C ATOM 169 C ALA A 29 9.719 -5.124 8.260 1.00 0.00 C ATOM 170 O ALA A 29 8.753 -4.374 8.401 1.00 0.00 O ATOM 171 CB ALA A 29 11.115 -5.858 10.182 1.00 0.00 C ATOM 0 H ALA A 29 11.206 -7.880 8.787 1.00 0.00 H new ATOM 0 HA ALA A 29 9.073 -6.410 9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.869 -4.922 10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.262 -6.640 10.927 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.031 -5.730 9.604 1.00 0.00 H new ATOM 177 N GLN A 30 10.580 -5.011 7.247 1.00 0.00 N ATOM 178 CA GLN A 30 10.410 -3.987 6.222 1.00 0.00 C ATOM 179 C GLN A 30 9.092 -4.225 5.500 1.00 0.00 C ATOM 180 O GLN A 30 8.388 -3.293 5.108 1.00 0.00 O ATOM 181 CB GLN A 30 11.558 -4.008 5.203 1.00 0.00 C ATOM 182 CG GLN A 30 11.719 -2.684 4.486 1.00 0.00 C ATOM 183 CD GLN A 30 13.110 -2.486 3.935 1.00 0.00 C ATOM 184 OE1 GLN A 30 13.417 -2.905 2.825 1.00 0.00 O ATOM 185 NE2 GLN A 30 13.961 -1.837 4.706 1.00 0.00 N ATOM 0 H GLN A 30 11.394 -5.611 7.117 1.00 0.00 H new ATOM 0 HA GLN A 30 10.412 -3.012 6.709 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.488 -4.257 5.713 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.376 -4.795 4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.998 -2.627 3.671 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.486 -1.872 5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.666 -1.504 5.624 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.914 -1.668 4.384 1.00 0.00 H new ATOM 194 N GLU A 31 8.768 -5.498 5.366 1.00 0.00 N ATOM 195 CA GLU A 31 7.555 -5.931 4.707 1.00 0.00 C ATOM 196 C GLU A 31 6.339 -5.767 5.633 1.00 0.00 C ATOM 197 O GLU A 31 5.200 -5.754 5.172 1.00 0.00 O ATOM 198 CB GLU A 31 7.738 -7.385 4.265 1.00 0.00 C ATOM 199 CG GLU A 31 6.525 -8.003 3.595 1.00 0.00 C ATOM 200 CD GLU A 31 6.707 -9.480 3.332 1.00 0.00 C ATOM 201 OE1 GLU A 31 6.742 -10.254 4.308 1.00 0.00 O ATOM 202 OE2 GLU A 31 6.817 -9.872 2.157 1.00 0.00 O ATOM 0 H GLU A 31 9.345 -6.264 5.715 1.00 0.00 H new ATOM 0 HA GLU A 31 7.365 -5.311 3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.582 -7.438 3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.999 -7.985 5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.649 -7.854 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.331 -7.489 2.653 1.00 0.00 H new ATOM 209 N GLN A 32 6.585 -5.620 6.936 1.00 0.00 N ATOM 210 CA GLN A 32 5.508 -5.368 7.896 1.00 0.00 C ATOM 211 C GLN A 32 5.026 -3.933 7.774 1.00 0.00 C ATOM 212 O GLN A 32 3.836 -3.656 7.900 1.00 0.00 O ATOM 213 CB GLN A 32 5.964 -5.597 9.339 1.00 0.00 C ATOM 214 CG GLN A 32 6.321 -7.031 9.681 1.00 0.00 C ATOM 215 CD GLN A 32 6.475 -7.227 11.176 1.00 0.00 C ATOM 216 OE1 GLN A 32 7.691 -7.068 11.674 1.00 0.00 O flip ATOM 217 NE2 GLN A 32 5.505 -7.513 11.878 1.00 0.00 N flip ATOM 0 H GLN A 32 7.516 -5.671 7.350 1.00 0.00 H new ATOM 0 HA GLN A 32 4.705 -6.067 7.664 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.832 -4.967 9.534 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.172 -5.266 10.011 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.547 -7.699 9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.250 -7.305 9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.584 -7.627 11.454 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.622 -7.636 12.884 1.00 0.00 H new ATOM 226 N GLN A 33 5.958 -3.011 7.561 1.00 0.00 N ATOM 227 CA GLN A 33 5.581 -1.637 7.272 1.00 0.00 C ATOM 228 C GLN A 33 4.770 -1.614 5.996 1.00 0.00 C ATOM 229 O GLN A 33 3.734 -0.961 5.910 1.00 0.00 O ATOM 230 CB GLN A 33 6.802 -0.734 7.131 1.00 0.00 C ATOM 231 CG GLN A 33 6.449 0.696 6.770 1.00 0.00 C ATOM 232 CD GLN A 33 7.641 1.622 6.872 1.00 0.00 C ATOM 233 OE1 GLN A 33 7.881 2.226 7.918 1.00 0.00 O ATOM 234 NE2 GLN A 33 8.410 1.726 5.804 1.00 0.00 N ATOM 0 H GLN A 33 6.962 -3.187 7.583 1.00 0.00 H new ATOM 0 HA GLN A 33 4.990 -1.256 8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.359 -0.738 8.068 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.462 -1.143 6.366 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.054 0.726 5.755 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.658 1.051 7.430 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.177 1.209 4.956 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.237 2.323 5.827 1.00 0.00 H new ATOM 243 N PHE A 34 5.245 -2.373 5.019 1.00 0.00 N ATOM 244 CA PHE A 34 4.530 -2.560 3.774 1.00 0.00 C ATOM 245 C PHE A 34 3.155 -3.150 4.059 1.00 0.00 C ATOM 246 O PHE A 34 2.172 -2.775 3.431 1.00 0.00 O ATOM 247 CB PHE A 34 5.337 -3.482 2.855 1.00 0.00 C ATOM 248 CG PHE A 34 4.687 -3.765 1.531 1.00 0.00 C ATOM 249 CD1 PHE A 34 4.751 -2.839 0.504 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.028 -4.963 1.313 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.167 -3.103 -0.719 1.00 0.00 C ATOM 252 CE2 PHE A 34 3.440 -5.230 0.094 1.00 0.00 C ATOM 253 CZ PHE A 34 3.511 -4.299 -0.923 1.00 0.00 C ATOM 0 H PHE A 34 6.133 -2.872 5.070 1.00 0.00 H new ATOM 0 HA PHE A 34 4.398 -1.600 3.275 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.314 -3.032 2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.510 -4.427 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.263 -1.901 0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.974 -5.695 2.105 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.224 -2.374 -1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.925 -6.166 -0.065 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.053 -4.507 -1.879 1.00 0.00 H new ATOM 263 N ARG A 35 3.102 -4.060 5.029 1.00 0.00 N ATOM 264 CA ARG A 35 1.854 -4.683 5.456 1.00 0.00 C ATOM 265 C ARG A 35 0.852 -3.633 5.924 1.00 0.00 C ATOM 266 O ARG A 35 -0.273 -3.585 5.450 1.00 0.00 O ATOM 267 CB ARG A 35 2.132 -5.658 6.607 1.00 0.00 C ATOM 268 CG ARG A 35 1.789 -7.102 6.313 1.00 0.00 C ATOM 269 CD ARG A 35 2.603 -7.643 5.157 1.00 0.00 C ATOM 270 NE ARG A 35 1.778 -8.444 4.246 1.00 0.00 N ATOM 271 CZ ARG A 35 2.263 -9.252 3.308 1.00 0.00 C ATOM 272 NH1 ARG A 35 3.571 -9.377 3.152 1.00 0.00 N ATOM 273 NH2 ARG A 35 1.436 -9.935 2.520 1.00 0.00 N ATOM 0 H ARG A 35 3.923 -4.385 5.540 1.00 0.00 H new ATOM 0 HA ARG A 35 1.431 -5.217 4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.188 -5.596 6.869 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.567 -5.336 7.482 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.970 -7.708 7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.727 -7.185 6.081 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.053 -6.815 4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.421 -8.253 5.541 1.00 0.00 H new ATOM 0 HE ARG A 35 0.764 -8.377 4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.208 -8.853 3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.942 -9.997 2.432 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.427 -9.839 2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.811 -10.554 1.801 1.00 0.00 H new ATOM 287 N GLN A 36 1.280 -2.761 6.822 1.00 0.00 N ATOM 288 CA GLN A 36 0.390 -1.751 7.377 1.00 0.00 C ATOM 289 C GLN A 36 0.045 -0.707 6.333 1.00 0.00 C ATOM 290 O GLN A 36 -1.106 -0.306 6.198 1.00 0.00 O ATOM 291 CB GLN A 36 1.027 -1.074 8.589 1.00 0.00 C ATOM 292 CG GLN A 36 1.360 -2.037 9.715 1.00 0.00 C ATOM 293 CD GLN A 36 0.128 -2.659 10.348 1.00 0.00 C ATOM 294 OE1 GLN A 36 -0.971 -1.917 10.379 1.00 0.00 O flip ATOM 295 NE2 GLN A 36 0.169 -3.797 10.817 1.00 0.00 N flip ATOM 0 H GLN A 36 2.234 -2.731 7.182 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.525 -2.252 7.693 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.939 -0.566 8.274 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.349 -0.308 8.965 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.003 -2.829 9.330 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.928 -1.509 10.481 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.034 -4.336 10.773 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.662 -4.201 11.249 1.00 0.00 H new ATOM 304 N LEU A 37 1.051 -0.295 5.586 1.00 0.00 N ATOM 305 CA LEU A 37 0.887 0.740 4.581 1.00 0.00 C ATOM 306 C LEU A 37 -0.053 0.284 3.459 1.00 0.00 C ATOM 307 O LEU A 37 -0.643 1.109 2.764 1.00 0.00 O ATOM 308 CB LEU A 37 2.256 1.162 4.030 1.00 0.00 C ATOM 309 CG LEU A 37 3.206 1.796 5.048 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.463 2.301 4.364 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.521 2.915 5.813 1.00 0.00 C ATOM 0 H LEU A 37 1.999 -0.665 5.657 1.00 0.00 H new ATOM 0 HA LEU A 37 0.425 1.608 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.742 0.286 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.099 1.869 3.216 1.00 0.00 H new ATOM 0 HG LEU A 37 3.492 1.028 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.126 2.748 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.972 1.469 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.196 3.049 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.220 3.347 6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.194 3.686 5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.657 2.516 6.345 1.00 0.00 H new ATOM 323 N THR A 38 -0.193 -1.029 3.284 1.00 0.00 N ATOM 324 CA THR A 38 -1.102 -1.560 2.276 1.00 0.00 C ATOM 325 C THR A 38 -2.452 -1.967 2.872 1.00 0.00 C ATOM 326 O THR A 38 -3.479 -1.878 2.196 1.00 0.00 O ATOM 327 CB THR A 38 -0.500 -2.768 1.531 1.00 0.00 C ATOM 328 OG1 THR A 38 0.002 -3.734 2.458 1.00 0.00 O ATOM 329 CG2 THR A 38 0.607 -2.327 0.587 1.00 0.00 C ATOM 0 H THR A 38 0.307 -1.737 3.822 1.00 0.00 H new ATOM 0 HA THR A 38 -1.259 -0.747 1.567 1.00 0.00 H new ATOM 0 HB THR A 38 -1.294 -3.227 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.836 -3.405 2.854 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.015 -3.197 0.073 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.203 -1.629 -0.147 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.397 -1.838 1.156 1.00 0.00 H new ATOM 337 N GLU A 39 -2.463 -2.402 4.136 1.00 0.00 N ATOM 338 CA GLU A 39 -3.687 -2.928 4.744 1.00 0.00 C ATOM 339 C GLU A 39 -4.498 -1.844 5.448 1.00 0.00 C ATOM 340 O GLU A 39 -5.653 -2.067 5.814 1.00 0.00 O ATOM 341 CB GLU A 39 -3.375 -4.055 5.727 1.00 0.00 C ATOM 342 CG GLU A 39 -2.730 -5.268 5.078 1.00 0.00 C ATOM 343 CD GLU A 39 -2.674 -6.462 6.003 1.00 0.00 C ATOM 344 OE1 GLU A 39 -3.687 -7.187 6.120 1.00 0.00 O ATOM 345 OE2 GLU A 39 -1.619 -6.675 6.634 1.00 0.00 O ATOM 0 H GLU A 39 -1.649 -2.400 4.751 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.290 -3.322 3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.713 -3.674 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.298 -4.364 6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.288 -5.535 4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.719 -5.011 4.761 1.00 0.00 H new ATOM 352 N GLU A 40 -3.902 -0.678 5.652 1.00 0.00 N ATOM 353 CA GLU A 40 -4.632 0.438 6.244 1.00 0.00 C ATOM 354 C GLU A 40 -5.344 1.217 5.138 1.00 0.00 C ATOM 355 O GLU A 40 -6.069 2.180 5.388 1.00 0.00 O ATOM 356 CB GLU A 40 -3.684 1.348 7.037 1.00 0.00 C ATOM 357 CG GLU A 40 -4.394 2.216 8.065 1.00 0.00 C ATOM 358 CD GLU A 40 -3.439 2.912 9.014 1.00 0.00 C ATOM 359 OE1 GLU A 40 -2.781 2.218 9.820 1.00 0.00 O ATOM 360 OE2 GLU A 40 -3.365 4.157 8.989 1.00 0.00 O ATOM 0 H GLU A 40 -2.929 -0.479 5.421 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.375 0.053 6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.942 0.732 7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.144 1.991 6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.994 2.965 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.083 1.598 8.640 1.00 0.00 H new ATOM 367 N LEU A 41 -5.140 0.762 3.908 1.00 0.00 N ATOM 368 CA LEU A 41 -5.753 1.371 2.739 1.00 0.00 C ATOM 369 C LEU A 41 -6.975 0.569 2.298 1.00 0.00 C ATOM 370 O LEU A 41 -6.917 -0.656 2.193 1.00 0.00 O ATOM 371 CB LEU A 41 -4.727 1.462 1.602 1.00 0.00 C ATOM 372 CG LEU A 41 -5.277 1.906 0.250 1.00 0.00 C ATOM 373 CD1 LEU A 41 -6.089 3.178 0.397 1.00 0.00 C ATOM 374 CD2 LEU A 41 -4.140 2.103 -0.738 1.00 0.00 C ATOM 0 H LEU A 41 -4.545 -0.039 3.695 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.083 2.378 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.942 2.157 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.259 0.485 1.480 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.936 1.127 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.473 3.479 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.923 3.001 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.456 3.970 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.544 2.420 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.459 2.866 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.600 1.165 -0.863 1.00 0.00 H new ATOM 386 N ARG A 42 -8.079 1.264 2.039 1.00 0.00 N ATOM 387 CA ARG A 42 -9.315 0.608 1.658 1.00 0.00 C ATOM 388 C ARG A 42 -9.436 0.506 0.143 1.00 0.00 C ATOM 389 O ARG A 42 -8.995 1.392 -0.593 1.00 0.00 O ATOM 390 CB ARG A 42 -10.543 1.357 2.190 1.00 0.00 C ATOM 391 CG ARG A 42 -11.674 0.426 2.600 1.00 0.00 C ATOM 392 CD ARG A 42 -13.013 1.139 2.637 1.00 0.00 C ATOM 393 NE ARG A 42 -14.102 0.241 3.016 1.00 0.00 N ATOM 394 CZ ARG A 42 -15.384 0.460 2.725 1.00 0.00 C ATOM 395 NH1 ARG A 42 -15.745 1.566 2.086 1.00 0.00 N ATOM 396 NH2 ARG A 42 -16.300 -0.419 3.097 1.00 0.00 N ATOM 0 H ARG A 42 -8.138 2.281 2.087 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.283 -0.389 2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.249 1.963 3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.904 2.043 1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.727 -0.409 1.901 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.460 0.006 3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.963 1.967 3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.222 1.569 1.657 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.866 -0.605 3.535 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.040 2.252 1.816 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.727 1.730 1.865 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.024 -1.260 3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.282 -0.256 2.877 1.00 0.00 H new ATOM 410 N CYS A 43 -10.047 -0.576 -0.304 1.00 0.00 N ATOM 411 CA CYS A 43 -10.377 -0.769 -1.702 1.00 0.00 C ATOM 412 C CYS A 43 -11.814 -1.280 -1.810 1.00 0.00 C ATOM 413 O CYS A 43 -12.232 -2.123 -1.017 1.00 0.00 O ATOM 414 CB CYS A 43 -9.393 -1.751 -2.339 1.00 0.00 C ATOM 415 SG CYS A 43 -9.049 -3.198 -1.316 1.00 0.00 S ATOM 0 H CYS A 43 -10.329 -1.350 0.298 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.300 0.177 -2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.792 -2.081 -3.298 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.457 -1.232 -2.545 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.122 -3.926 -1.220 1.00 0.00 H new ATOM 421 N PRO A 44 -12.596 -0.758 -2.769 1.00 0.00 N ATOM 422 CA PRO A 44 -14.026 -1.070 -2.901 1.00 0.00 C ATOM 423 C PRO A 44 -14.297 -2.485 -3.421 1.00 0.00 C ATOM 424 O PRO A 44 -14.742 -2.664 -4.557 1.00 0.00 O ATOM 425 CB PRO A 44 -14.538 -0.028 -3.912 1.00 0.00 C ATOM 426 CG PRO A 44 -13.417 0.944 -4.097 1.00 0.00 C ATOM 427 CD PRO A 44 -12.158 0.189 -3.797 1.00 0.00 C ATOM 0 HA PRO A 44 -14.522 -1.033 -1.931 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.807 -0.499 -4.857 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.432 0.472 -3.539 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.404 1.335 -5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.528 1.798 -3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.770 -0.320 -4.679 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.367 0.846 -3.434 1.00 0.00 H new ATOM 435 N LYS A 45 -14.027 -3.481 -2.586 1.00 0.00 N ATOM 436 CA LYS A 45 -14.319 -4.871 -2.918 1.00 0.00 C ATOM 437 C LYS A 45 -14.293 -5.723 -1.650 1.00 0.00 C ATOM 438 O LYS A 45 -13.297 -5.750 -0.932 1.00 0.00 O ATOM 439 CB LYS A 45 -13.308 -5.402 -3.945 1.00 0.00 C ATOM 440 CG LYS A 45 -13.596 -6.818 -4.424 1.00 0.00 C ATOM 441 CD LYS A 45 -12.601 -7.265 -5.487 1.00 0.00 C ATOM 442 CE LYS A 45 -12.850 -8.704 -5.911 1.00 0.00 C ATOM 443 NZ LYS A 45 -11.923 -9.146 -6.987 1.00 0.00 N ATOM 0 H LYS A 45 -13.603 -3.351 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.314 -4.927 -3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.296 -4.734 -4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.311 -5.374 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.557 -7.504 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.607 -6.867 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.676 -6.610 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.586 -7.168 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.738 -9.359 -5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.879 -8.805 -6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.461 -9.640 -7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.448 -8.317 -7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.211 -9.791 -6.588 1.00 0.00 H new ATOM 457 N CYS A 46 -15.405 -6.402 -1.383 1.00 0.00 N ATOM 458 CA CYS A 46 -15.542 -7.241 -0.195 1.00 0.00 C ATOM 459 C CYS A 46 -14.551 -8.390 -0.220 1.00 0.00 C ATOM 460 O CYS A 46 -14.082 -8.847 0.823 1.00 0.00 O ATOM 461 CB CYS A 46 -16.961 -7.797 -0.104 1.00 0.00 C ATOM 462 SG CYS A 46 -18.248 -6.529 -0.092 1.00 0.00 S ATOM 0 H CYS A 46 -16.232 -6.387 -1.980 1.00 0.00 H new ATOM 0 HA CYS A 46 -15.335 -6.621 0.677 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -17.133 -8.466 -0.947 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -17.048 -8.397 0.802 1.00 0.00 H new ATOM 0 HG CYS A 46 -19.415 -7.096 -0.015 1.00 0.00 H new ATOM 468 N GLN A 47 -14.234 -8.854 -1.413 1.00 0.00 N ATOM 469 CA GLN A 47 -13.323 -9.971 -1.575 1.00 0.00 C ATOM 470 C GLN A 47 -11.942 -9.462 -1.967 1.00 0.00 C ATOM 471 O GLN A 47 -11.221 -10.086 -2.743 1.00 0.00 O ATOM 472 CB GLN A 47 -13.880 -10.933 -2.618 1.00 0.00 C ATOM 473 CG GLN A 47 -15.348 -11.246 -2.385 1.00 0.00 C ATOM 474 CD GLN A 47 -15.810 -12.516 -3.073 1.00 0.00 C ATOM 475 OE1 GLN A 47 -16.718 -13.194 -2.596 1.00 0.00 O ATOM 476 NE2 GLN A 47 -15.195 -12.844 -4.197 1.00 0.00 N ATOM 0 H GLN A 47 -14.595 -8.473 -2.288 1.00 0.00 H new ATOM 0 HA GLN A 47 -13.224 -10.509 -0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -13.756 -10.501 -3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -13.305 -11.859 -2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -15.527 -11.336 -1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.951 -10.410 -2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.446 -12.254 -4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -15.470 -13.687 -4.701 1.00 0.00 H new ATOM 485 N ASN A 48 -11.603 -8.304 -1.422 1.00 0.00 N ATOM 486 CA ASN A 48 -10.312 -7.669 -1.643 1.00 0.00 C ATOM 487 C ASN A 48 -9.971 -6.873 -0.390 1.00 0.00 C ATOM 488 O ASN A 48 -10.302 -5.694 -0.293 1.00 0.00 O ATOM 489 CB ASN A 48 -10.395 -6.738 -2.859 1.00 0.00 C ATOM 490 CG ASN A 48 -9.058 -6.486 -3.528 1.00 0.00 C ATOM 491 OD1 ASN A 48 -8.684 -7.185 -4.470 1.00 0.00 O ATOM 492 ND2 ASN A 48 -8.337 -5.482 -3.064 1.00 0.00 N ATOM 0 H ASN A 48 -12.221 -7.773 -0.808 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.541 -8.414 -1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.081 -7.169 -3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.820 -5.784 -2.546 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.436 -5.263 -3.488 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.681 -4.926 -2.281 1.00 0.00 H new ATOM 499 N ASN A 49 -9.335 -7.531 0.579 1.00 0.00 N ATOM 500 CA ASN A 49 -9.167 -6.958 1.920 1.00 0.00 C ATOM 501 C ASN A 49 -8.370 -5.659 1.900 1.00 0.00 C ATOM 502 O ASN A 49 -8.587 -4.783 2.734 1.00 0.00 O ATOM 503 CB ASN A 49 -8.501 -7.954 2.875 1.00 0.00 C ATOM 504 CG ASN A 49 -9.371 -9.161 3.186 1.00 0.00 C ATOM 505 OD1 ASN A 49 -10.685 -9.000 3.098 1.00 0.00 O flip ATOM 506 ND2 ASN A 49 -8.862 -10.237 3.507 1.00 0.00 N flip ATOM 0 H ASN A 49 -8.928 -8.459 0.464 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.171 -6.734 2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.562 -8.294 2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.253 -7.444 3.806 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.847 -10.324 3.564 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.456 -11.040 3.715 1.00 0.00 H new ATOM 513 N SER A 50 -7.452 -5.543 0.958 1.00 0.00 N ATOM 514 CA SER A 50 -6.634 -4.350 0.829 1.00 0.00 C ATOM 515 C SER A 50 -5.891 -4.394 -0.494 1.00 0.00 C ATOM 516 O SER A 50 -6.155 -5.265 -1.319 1.00 0.00 O ATOM 517 CB SER A 50 -5.642 -4.260 1.989 1.00 0.00 C ATOM 518 OG SER A 50 -4.848 -5.435 2.067 1.00 0.00 O ATOM 0 H SER A 50 -7.253 -6.266 0.266 1.00 0.00 H new ATOM 0 HA SER A 50 -7.274 -3.468 0.856 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.999 -3.390 1.857 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.182 -4.118 2.925 1.00 0.00 H new ATOM 0 HG SER A 50 -5.098 -5.946 2.865 1.00 0.00 H new ATOM 524 N ILE A 51 -4.958 -3.485 -0.716 1.00 0.00 N ATOM 525 CA ILE A 51 -4.133 -3.588 -1.903 1.00 0.00 C ATOM 526 C ILE A 51 -3.106 -4.700 -1.723 1.00 0.00 C ATOM 527 O ILE A 51 -2.506 -5.161 -2.689 1.00 0.00 O ATOM 528 CB ILE A 51 -3.430 -2.267 -2.272 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.589 -1.745 -1.107 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.462 -1.230 -2.696 1.00 0.00 C ATOM 531 CD1 ILE A 51 -1.691 -0.585 -1.481 1.00 0.00 C ATOM 0 H ILE A 51 -4.757 -2.690 -0.109 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.799 -3.824 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.756 -2.458 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.253 -1.434 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.976 -2.558 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.957 -0.299 -2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.013 -1.598 -3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.156 -1.050 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.124 -0.267 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.002 -0.897 -2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.299 0.245 -1.841 1.00 0.00 H new ATOM 543 N ALA A 52 -2.928 -5.139 -0.476 1.00 0.00 N ATOM 544 CA ALA A 52 -2.072 -6.280 -0.175 1.00 0.00 C ATOM 545 C ALA A 52 -2.790 -7.576 -0.539 1.00 0.00 C ATOM 546 O ALA A 52 -2.256 -8.419 -1.258 1.00 0.00 O ATOM 547 CB ALA A 52 -1.682 -6.284 1.298 1.00 0.00 C ATOM 0 H ALA A 52 -3.368 -4.718 0.342 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.161 -6.201 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.043 -7.143 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.143 -5.366 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.580 -6.345 1.912 1.00 0.00 H new ATOM 553 N ASP A 53 -4.007 -7.725 -0.035 1.00 0.00 N ATOM 554 CA ASP A 53 -4.869 -8.837 -0.423 1.00 0.00 C ATOM 555 C ASP A 53 -5.745 -8.395 -1.584 1.00 0.00 C ATOM 556 O ASP A 53 -6.907 -8.029 -1.402 1.00 0.00 O ATOM 557 CB ASP A 53 -5.736 -9.289 0.757 1.00 0.00 C ATOM 558 CG ASP A 53 -6.642 -10.458 0.408 1.00 0.00 C ATOM 559 OD1 ASP A 53 -6.150 -11.606 0.335 1.00 0.00 O ATOM 560 OD2 ASP A 53 -7.852 -10.230 0.188 1.00 0.00 O ATOM 0 H ASP A 53 -4.422 -7.089 0.646 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.253 -9.683 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.091 -9.571 1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.346 -8.451 1.096 1.00 0.00 H new ATOM 565 N SER A 54 -5.175 -8.406 -2.777 1.00 0.00 N ATOM 566 CA SER A 54 -5.841 -7.836 -3.929 1.00 0.00 C ATOM 567 C SER A 54 -5.821 -8.773 -5.129 1.00 0.00 C ATOM 568 O SER A 54 -4.974 -9.660 -5.235 1.00 0.00 O ATOM 569 CB SER A 54 -5.184 -6.506 -4.292 1.00 0.00 C ATOM 570 OG SER A 54 -3.780 -6.647 -4.423 1.00 0.00 O ATOM 0 H SER A 54 -4.255 -8.803 -2.970 1.00 0.00 H new ATOM 0 HA SER A 54 -6.886 -7.676 -3.663 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.603 -6.133 -5.226 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.408 -5.765 -3.524 1.00 0.00 H new ATOM 0 HG SER A 54 -3.331 -6.091 -3.752 1.00 0.00 H new ATOM 576 N ASN A 55 -6.789 -8.577 -6.013 1.00 0.00 N ATOM 577 CA ASN A 55 -6.850 -9.302 -7.276 1.00 0.00 C ATOM 578 C ASN A 55 -6.590 -8.343 -8.426 1.00 0.00 C ATOM 579 O ASN A 55 -6.656 -8.716 -9.598 1.00 0.00 O ATOM 580 CB ASN A 55 -8.229 -9.942 -7.468 1.00 0.00 C ATOM 581 CG ASN A 55 -8.636 -10.859 -6.332 1.00 0.00 C ATOM 582 OD1 ASN A 55 -9.822 -10.985 -6.024 1.00 0.00 O ATOM 583 ND2 ASN A 55 -7.665 -11.501 -5.700 1.00 0.00 N ATOM 0 H ASN A 55 -7.552 -7.914 -5.877 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.093 -10.086 -7.259 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.975 -9.154 -7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.231 -10.508 -8.399 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.887 -12.128 -4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.695 -11.369 -5.987 1.00 0.00 H new ATOM 590 N SER A 56 -6.289 -7.101 -8.080 1.00 0.00 N ATOM 591 CA SER A 56 -6.171 -6.045 -9.066 1.00 0.00 C ATOM 592 C SER A 56 -4.726 -5.838 -9.494 1.00 0.00 C ATOM 593 O SER A 56 -3.816 -5.760 -8.671 1.00 0.00 O ATOM 594 CB SER A 56 -6.742 -4.745 -8.511 1.00 0.00 C ATOM 595 OG SER A 56 -6.744 -3.732 -9.497 1.00 0.00 O ATOM 0 H SER A 56 -6.122 -6.802 -7.119 1.00 0.00 H new ATOM 0 HA SER A 56 -6.741 -6.345 -9.946 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.758 -4.913 -8.155 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.153 -4.422 -7.653 1.00 0.00 H new ATOM 0 HG SER A 56 -7.257 -2.962 -9.174 1.00 0.00 H new ATOM 601 N MET A 57 -4.544 -5.740 -10.805 1.00 0.00 N ATOM 602 CA MET A 57 -3.241 -5.492 -11.410 1.00 0.00 C ATOM 603 C MET A 57 -2.740 -4.112 -11.021 1.00 0.00 C ATOM 604 O MET A 57 -1.541 -3.875 -10.892 1.00 0.00 O ATOM 605 CB MET A 57 -3.347 -5.565 -12.935 1.00 0.00 C ATOM 606 CG MET A 57 -4.396 -6.540 -13.433 1.00 0.00 C ATOM 607 SD MET A 57 -5.728 -5.729 -14.342 1.00 0.00 S ATOM 608 CE MET A 57 -6.601 -4.886 -13.022 1.00 0.00 C ATOM 0 H MET A 57 -5.301 -5.831 -11.483 1.00 0.00 H new ATOM 0 HA MET A 57 -2.545 -6.251 -11.053 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.576 -4.572 -13.321 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.377 -5.850 -13.343 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.921 -7.280 -14.077 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.817 -7.079 -12.584 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.372 -4.244 -13.448 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.063 -5.622 -12.364 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.899 -4.279 -12.451 1.00 0.00 H new ATOM 618 N ILE A 58 -3.688 -3.208 -10.841 1.00 0.00 N ATOM 619 CA ILE A 58 -3.397 -1.816 -10.556 1.00 0.00 C ATOM 620 C ILE A 58 -2.887 -1.664 -9.124 1.00 0.00 C ATOM 621 O ILE A 58 -2.144 -0.738 -8.817 1.00 0.00 O ATOM 622 CB ILE A 58 -4.636 -0.920 -10.847 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.504 -0.705 -9.607 1.00 0.00 C ATOM 624 CG2 ILE A 58 -5.470 -1.532 -11.966 1.00 0.00 C ATOM 625 CD1 ILE A 58 -5.046 0.465 -8.772 1.00 0.00 C ATOM 0 H ILE A 58 -4.684 -3.421 -10.889 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.603 -1.475 -11.220 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.263 0.057 -11.155 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.537 -0.544 -9.915 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.490 -1.609 -8.998 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.335 -0.899 -12.163 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.865 -1.611 -12.869 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.808 -2.524 -11.667 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.698 0.571 -7.905 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.023 0.295 -8.438 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.086 1.376 -9.369 1.00 0.00 H new ATOM 637 N ALA A 59 -3.292 -2.585 -8.251 1.00 0.00 N ATOM 638 CA ALA A 59 -2.843 -2.579 -6.862 1.00 0.00 C ATOM 639 C ALA A 59 -1.318 -2.621 -6.787 1.00 0.00 C ATOM 640 O ALA A 59 -0.722 -2.067 -5.866 1.00 0.00 O ATOM 641 CB ALA A 59 -3.439 -3.756 -6.108 1.00 0.00 C ATOM 0 H ALA A 59 -3.931 -3.345 -8.483 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.185 -1.655 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.095 -3.738 -5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.527 -3.689 -6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.124 -4.687 -6.579 1.00 0.00 H new ATOM 647 N THR A 60 -0.698 -3.282 -7.767 1.00 0.00 N ATOM 648 CA THR A 60 0.758 -3.348 -7.872 1.00 0.00 C ATOM 649 C THR A 60 1.363 -1.950 -8.016 1.00 0.00 C ATOM 650 O THR A 60 2.383 -1.638 -7.399 1.00 0.00 O ATOM 651 CB THR A 60 1.176 -4.216 -9.072 1.00 0.00 C ATOM 652 OG1 THR A 60 0.630 -5.533 -8.928 1.00 0.00 O ATOM 653 CG2 THR A 60 2.689 -4.291 -9.183 1.00 0.00 C ATOM 0 H THR A 60 -1.190 -3.784 -8.506 1.00 0.00 H new ATOM 0 HA THR A 60 1.135 -3.800 -6.954 1.00 0.00 H new ATOM 0 HB THR A 60 0.788 -3.760 -9.983 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.896 -6.083 -9.694 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.961 -4.910 -10.038 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.094 -3.288 -9.317 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.099 -4.729 -8.273 1.00 0.00 H new ATOM 661 N ASP A 61 0.719 -1.118 -8.826 1.00 0.00 N ATOM 662 CA ASP A 61 1.094 0.291 -8.973 1.00 0.00 C ATOM 663 C ASP A 61 1.180 0.950 -7.601 1.00 0.00 C ATOM 664 O ASP A 61 2.149 1.637 -7.270 1.00 0.00 O ATOM 665 CB ASP A 61 0.034 1.012 -9.815 1.00 0.00 C ATOM 666 CG ASP A 61 0.376 2.459 -10.122 1.00 0.00 C ATOM 667 OD1 ASP A 61 0.338 3.291 -9.193 1.00 0.00 O ATOM 668 OD2 ASP A 61 0.741 2.763 -11.276 1.00 0.00 O ATOM 0 H ASP A 61 -0.077 -1.396 -9.400 1.00 0.00 H new ATOM 0 HA ASP A 61 2.065 0.355 -9.465 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.100 0.473 -10.753 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.920 0.978 -9.289 1.00 0.00 H new ATOM 673 N LEU A 62 0.156 0.696 -6.802 1.00 0.00 N ATOM 674 CA LEU A 62 0.043 1.262 -5.470 1.00 0.00 C ATOM 675 C LEU A 62 1.102 0.681 -4.535 1.00 0.00 C ATOM 676 O LEU A 62 1.618 1.379 -3.663 1.00 0.00 O ATOM 677 CB LEU A 62 -1.358 0.994 -4.925 1.00 0.00 C ATOM 678 CG LEU A 62 -2.497 1.457 -5.832 1.00 0.00 C ATOM 679 CD1 LEU A 62 -3.836 1.149 -5.193 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.372 2.943 -6.123 1.00 0.00 C ATOM 0 H LEU A 62 -0.622 0.089 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 62 0.209 2.338 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.465 -0.076 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.458 1.489 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.433 0.916 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.638 1.484 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.924 0.075 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.910 1.666 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.191 3.257 -6.770 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.414 3.502 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.422 3.138 -6.620 1.00 0.00 H new ATOM 692 N ARG A 63 1.429 -0.597 -4.730 1.00 0.00 N ATOM 693 CA ARG A 63 2.473 -1.256 -3.942 1.00 0.00 C ATOM 694 C ARG A 63 3.777 -0.482 -4.067 1.00 0.00 C ATOM 695 O ARG A 63 4.511 -0.304 -3.094 1.00 0.00 O ATOM 696 CB ARG A 63 2.720 -2.689 -4.433 1.00 0.00 C ATOM 697 CG ARG A 63 1.484 -3.558 -4.551 1.00 0.00 C ATOM 698 CD ARG A 63 1.056 -4.139 -3.220 1.00 0.00 C ATOM 699 NE ARG A 63 0.106 -5.232 -3.414 1.00 0.00 N ATOM 700 CZ ARG A 63 0.292 -6.479 -2.980 1.00 0.00 C ATOM 701 NH1 ARG A 63 1.351 -6.789 -2.245 1.00 0.00 N ATOM 702 NH2 ARG A 63 -0.593 -7.421 -3.274 1.00 0.00 N ATOM 0 H ARG A 63 0.987 -1.197 -5.426 1.00 0.00 H new ATOM 0 HA ARG A 63 2.137 -1.284 -2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.205 -2.642 -5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.420 -3.173 -3.752 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.667 -2.968 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.679 -4.369 -5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.930 -4.502 -2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.602 -3.360 -2.607 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.758 -5.027 -3.916 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.034 -6.070 -2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.483 -7.746 -1.919 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.416 -7.192 -3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.451 -8.375 -2.942 1.00 0.00 H new ATOM 716 N GLN A 64 4.052 -0.026 -5.286 1.00 0.00 N ATOM 717 CA GLN A 64 5.271 0.707 -5.579 1.00 0.00 C ATOM 718 C GLN A 64 5.278 2.050 -4.865 1.00 0.00 C ATOM 719 O GLN A 64 6.298 2.455 -4.314 1.00 0.00 O ATOM 720 CB GLN A 64 5.419 0.906 -7.088 1.00 0.00 C ATOM 721 CG GLN A 64 5.403 -0.394 -7.878 1.00 0.00 C ATOM 722 CD GLN A 64 5.491 -0.176 -9.377 1.00 0.00 C ATOM 723 OE1 GLN A 64 4.477 -0.032 -10.062 1.00 0.00 O ATOM 724 NE2 GLN A 64 6.706 -0.153 -9.902 1.00 0.00 N ATOM 0 H GLN A 64 3.438 -0.155 -6.090 1.00 0.00 H new ATOM 0 HA GLN A 64 6.118 0.124 -5.217 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.612 1.547 -7.442 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.353 1.431 -7.287 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.237 -1.018 -7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.489 -0.941 -7.649 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.523 -0.276 -9.303 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.826 -0.012 -10.905 1.00 0.00 H new ATOM 733 N LYS A 65 4.132 2.727 -4.855 1.00 0.00 N ATOM 734 CA LYS A 65 4.018 4.014 -4.178 1.00 0.00 C ATOM 735 C LYS A 65 4.274 3.850 -2.690 1.00 0.00 C ATOM 736 O LYS A 65 4.978 4.654 -2.080 1.00 0.00 O ATOM 737 CB LYS A 65 2.646 4.642 -4.398 1.00 0.00 C ATOM 738 CG LYS A 65 2.480 5.998 -3.721 1.00 0.00 C ATOM 739 CD LYS A 65 3.118 7.115 -4.533 1.00 0.00 C ATOM 740 CE LYS A 65 4.563 7.304 -4.134 1.00 0.00 C ATOM 741 NZ LYS A 65 5.314 8.194 -5.056 1.00 0.00 N ATOM 0 H LYS A 65 3.275 2.407 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 65 4.769 4.679 -4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.475 4.756 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.880 3.962 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.419 6.208 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.930 5.967 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.056 6.880 -5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.568 8.044 -4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.604 7.718 -3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.054 6.331 -4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.074 8.674 -4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.727 7.628 -5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.668 8.903 -5.457 1.00 0.00 H new ATOM 755 N VAL A 66 3.693 2.803 -2.118 1.00 0.00 N ATOM 756 CA VAL A 66 3.921 2.453 -0.726 1.00 0.00 C ATOM 757 C VAL A 66 5.415 2.313 -0.441 1.00 0.00 C ATOM 758 O VAL A 66 5.898 2.785 0.587 1.00 0.00 O ATOM 759 CB VAL A 66 3.181 1.149 -0.354 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.618 0.654 1.011 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.676 1.374 -0.372 1.00 0.00 C ATOM 0 H VAL A 66 3.053 2.176 -2.606 1.00 0.00 H new ATOM 0 HA VAL A 66 3.524 3.260 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 66 3.434 0.389 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.084 -0.265 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.690 0.459 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.394 1.412 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.166 0.447 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.415 2.149 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.367 1.687 -1.369 1.00 0.00 H new ATOM 771 N TYR A 67 6.154 1.708 -1.369 1.00 0.00 N ATOM 772 CA TYR A 67 7.584 1.515 -1.175 1.00 0.00 C ATOM 773 C TYR A 67 8.352 2.824 -1.377 1.00 0.00 C ATOM 774 O TYR A 67 9.286 3.122 -0.630 1.00 0.00 O ATOM 775 CB TYR A 67 8.123 0.430 -2.111 1.00 0.00 C ATOM 776 CG TYR A 67 9.539 0.012 -1.782 1.00 0.00 C ATOM 777 CD1 TYR A 67 9.822 -0.759 -0.661 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.594 0.385 -2.603 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.117 -1.145 -0.368 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.890 0.004 -2.319 1.00 0.00 C ATOM 781 CZ TYR A 67 12.137 -0.756 -1.151 1.00 0.00 C ATOM 782 OH TYR A 67 13.441 -1.138 -0.923 1.00 0.00 O ATOM 0 H TYR A 67 5.789 1.348 -2.251 1.00 0.00 H new ATOM 0 HA TYR A 67 7.735 1.188 -0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.472 -0.442 -2.059 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.087 0.794 -3.138 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.017 -1.062 -0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.397 0.984 -3.480 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.310 -1.763 0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.701 0.281 -2.976 1.00 0.00 H new ATOM 0 HH TYR A 67 13.454 -1.927 -0.342 1.00 0.00 H new ATOM 792 N GLU A 68 7.963 3.603 -2.386 1.00 0.00 N ATOM 793 CA GLU A 68 8.597 4.895 -2.635 1.00 0.00 C ATOM 794 C GLU A 68 8.451 5.806 -1.426 1.00 0.00 C ATOM 795 O GLU A 68 9.430 6.355 -0.926 1.00 0.00 O ATOM 796 CB GLU A 68 7.979 5.589 -3.848 1.00 0.00 C ATOM 797 CG GLU A 68 8.048 4.783 -5.127 1.00 0.00 C ATOM 798 CD GLU A 68 7.759 5.630 -6.346 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.658 6.211 -6.430 1.00 0.00 O ATOM 800 OE2 GLU A 68 8.652 5.752 -7.207 1.00 0.00 O ATOM 0 H GLU A 68 7.217 3.363 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 68 9.653 4.705 -2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.935 5.815 -3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.485 6.541 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.038 4.337 -5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.332 3.962 -5.078 1.00 0.00 H new ATOM 807 N LEU A 69 7.224 5.924 -0.940 1.00 0.00 N ATOM 808 CA LEU A 69 6.902 6.817 0.168 1.00 0.00 C ATOM 809 C LEU A 69 7.730 6.487 1.412 1.00 0.00 C ATOM 810 O LEU A 69 8.045 7.374 2.209 1.00 0.00 O ATOM 811 CB LEU A 69 5.405 6.747 0.473 1.00 0.00 C ATOM 812 CG LEU A 69 4.491 7.352 -0.601 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.038 7.243 -0.184 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.840 8.809 -0.857 1.00 0.00 C ATOM 0 H LEU A 69 6.423 5.405 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 69 7.155 7.835 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.128 5.703 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.218 7.259 1.417 1.00 0.00 H new ATOM 0 HG LEU A 69 4.643 6.790 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.404 7.677 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.777 6.194 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.887 7.780 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.177 9.213 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.720 9.379 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.873 8.881 -1.197 1.00 0.00 H new ATOM 826 N MET A 70 8.105 5.220 1.558 1.00 0.00 N ATOM 827 CA MET A 70 8.942 4.796 2.678 1.00 0.00 C ATOM 828 C MET A 70 10.259 5.564 2.685 1.00 0.00 C ATOM 829 O MET A 70 10.658 6.118 3.710 1.00 0.00 O ATOM 830 CB MET A 70 9.247 3.295 2.610 1.00 0.00 C ATOM 831 CG MET A 70 8.023 2.406 2.685 1.00 0.00 C ATOM 832 SD MET A 70 8.448 0.656 2.748 1.00 0.00 S ATOM 833 CE MET A 70 6.824 -0.075 2.621 1.00 0.00 C ATOM 0 H MET A 70 7.844 4.470 0.918 1.00 0.00 H new ATOM 0 HA MET A 70 8.387 5.006 3.592 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.777 3.086 1.681 1.00 0.00 H new ATOM 0 HB3 MET A 70 9.921 3.036 3.427 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.441 2.668 3.569 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.388 2.592 1.818 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.532 -0.483 3.589 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.105 0.686 2.316 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.842 -0.875 1.881 1.00 0.00 H new ATOM 843 N GLN A 71 10.918 5.616 1.534 1.00 0.00 N ATOM 844 CA GLN A 71 12.212 6.270 1.431 1.00 0.00 C ATOM 845 C GLN A 71 12.051 7.764 1.174 1.00 0.00 C ATOM 846 O GLN A 71 12.982 8.538 1.400 1.00 0.00 O ATOM 847 CB GLN A 71 13.059 5.625 0.333 1.00 0.00 C ATOM 848 CG GLN A 71 12.335 5.488 -0.991 1.00 0.00 C ATOM 849 CD GLN A 71 13.265 5.145 -2.135 1.00 0.00 C ATOM 850 OE1 GLN A 71 14.442 5.508 -2.131 1.00 0.00 O ATOM 851 NE2 GLN A 71 12.742 4.446 -3.128 1.00 0.00 N ATOM 0 H GLN A 71 10.577 5.213 0.661 1.00 0.00 H new ATOM 0 HA GLN A 71 12.728 6.144 2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.960 6.220 0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.380 4.638 0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.572 4.714 -0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.819 6.421 -1.216 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.762 4.165 -3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.318 4.188 -3.929 1.00 0.00 H new ATOM 860 N GLU A 72 10.873 8.168 0.701 1.00 0.00 N ATOM 861 CA GLU A 72 10.573 9.584 0.516 1.00 0.00 C ATOM 862 C GLU A 72 10.554 10.298 1.862 1.00 0.00 C ATOM 863 O GLU A 72 10.877 11.483 1.957 1.00 0.00 O ATOM 864 CB GLU A 72 9.229 9.786 -0.190 1.00 0.00 C ATOM 865 CG GLU A 72 9.191 9.256 -1.614 1.00 0.00 C ATOM 866 CD GLU A 72 7.924 9.638 -2.362 1.00 0.00 C ATOM 867 OE1 GLU A 72 7.437 10.776 -2.182 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.397 8.797 -3.117 1.00 0.00 O ATOM 0 H GLU A 72 10.115 7.537 0.440 1.00 0.00 H new ATOM 0 HA GLU A 72 11.356 10.007 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.448 9.294 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.994 10.850 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.055 9.635 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.279 8.170 -1.593 1.00 0.00 H new ATOM 875 N GLY A 73 10.164 9.567 2.901 1.00 0.00 N ATOM 876 CA GLY A 73 10.168 10.122 4.238 1.00 0.00 C ATOM 877 C GLY A 73 8.769 10.358 4.749 1.00 0.00 C ATOM 878 O GLY A 73 8.529 11.265 5.547 1.00 0.00 O ATOM 0 H GLY A 73 9.845 8.600 2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.692 9.444 4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.719 11.062 4.240 1.00 0.00 H new ATOM 882 N LYS A 74 7.844 9.542 4.279 1.00 0.00 N ATOM 883 CA LYS A 74 6.453 9.655 4.671 1.00 0.00 C ATOM 884 C LYS A 74 6.207 8.847 5.941 1.00 0.00 C ATOM 885 O LYS A 74 6.906 7.871 6.219 1.00 0.00 O ATOM 886 CB LYS A 74 5.552 9.146 3.543 1.00 0.00 C ATOM 887 CG LYS A 74 5.999 9.597 2.167 1.00 0.00 C ATOM 888 CD LYS A 74 5.773 11.079 1.970 1.00 0.00 C ATOM 889 CE LYS A 74 6.546 11.599 0.782 1.00 0.00 C ATOM 890 NZ LYS A 74 6.478 13.078 0.670 1.00 0.00 N ATOM 0 H LYS A 74 8.034 8.788 3.619 1.00 0.00 H new ATOM 0 HA LYS A 74 6.220 10.702 4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.528 8.057 3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.533 9.492 3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.056 9.368 2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.453 9.040 1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.710 11.271 1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.076 11.618 2.868 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.588 11.291 0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.153 11.149 -0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.023 13.389 -0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.486 13.373 0.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.877 13.510 1.528 1.00 0.00 H new ATOM 904 N SER A 75 5.217 9.269 6.698 1.00 0.00 N ATOM 905 CA SER A 75 4.817 8.579 7.916 1.00 0.00 C ATOM 906 C SER A 75 3.730 7.572 7.581 1.00 0.00 C ATOM 907 O SER A 75 3.210 7.597 6.478 1.00 0.00 O ATOM 908 CB SER A 75 4.319 9.587 8.951 1.00 0.00 C ATOM 909 OG SER A 75 5.353 10.485 9.319 1.00 0.00 O ATOM 0 H SER A 75 4.663 10.100 6.490 1.00 0.00 H new ATOM 0 HA SER A 75 5.673 8.054 8.340 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.475 10.144 8.545 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.958 9.060 9.834 1.00 0.00 H new ATOM 0 HG SER A 75 5.012 11.123 9.981 1.00 0.00 H new ATOM 915 N LYS A 76 3.386 6.691 8.512 1.00 0.00 N ATOM 916 CA LYS A 76 2.394 5.648 8.234 1.00 0.00 C ATOM 917 C LYS A 76 1.096 6.239 7.692 1.00 0.00 C ATOM 918 O LYS A 76 0.646 5.878 6.606 1.00 0.00 O ATOM 919 CB LYS A 76 2.118 4.805 9.475 1.00 0.00 C ATOM 920 CG LYS A 76 3.013 3.577 9.603 1.00 0.00 C ATOM 921 CD LYS A 76 4.473 3.934 9.855 1.00 0.00 C ATOM 922 CE LYS A 76 5.240 4.206 8.570 1.00 0.00 C ATOM 923 NZ LYS A 76 6.632 4.650 8.851 1.00 0.00 N ATOM 0 H LYS A 76 3.771 6.673 9.456 1.00 0.00 H new ATOM 0 HA LYS A 76 2.815 5.000 7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.245 5.428 10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.077 4.483 9.458 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.650 2.952 10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.941 2.984 8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.522 4.814 10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.954 3.119 10.395 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.261 3.303 7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.723 4.971 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.842 5.506 8.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.732 4.859 9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.297 3.896 8.586 1.00 0.00 H new ATOM 937 N LYS A 77 0.522 7.169 8.442 1.00 0.00 N ATOM 938 CA LYS A 77 -0.693 7.854 8.015 1.00 0.00 C ATOM 939 C LYS A 77 -0.399 8.714 6.796 1.00 0.00 C ATOM 940 O LYS A 77 -1.213 8.826 5.890 1.00 0.00 O ATOM 941 CB LYS A 77 -1.238 8.722 9.155 1.00 0.00 C ATOM 942 CG LYS A 77 -1.274 8.002 10.490 1.00 0.00 C ATOM 943 CD LYS A 77 -2.090 6.726 10.402 1.00 0.00 C ATOM 944 CE LYS A 77 -2.085 5.956 11.712 1.00 0.00 C ATOM 945 NZ LYS A 77 -2.921 4.727 11.636 1.00 0.00 N ATOM 0 H LYS A 77 0.877 7.468 9.350 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.446 7.111 7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.622 9.616 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.245 9.054 8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.258 7.766 10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.700 8.658 11.249 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.117 6.970 10.129 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.691 6.094 9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.061 5.684 11.969 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.455 6.598 12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.668 4.770 12.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.354 4.659 10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.325 3.891 11.804 1.00 0.00 H new ATOM 959 N GLU A 78 0.786 9.300 6.782 1.00 0.00 N ATOM 960 CA GLU A 78 1.221 10.138 5.672 1.00 0.00 C ATOM 961 C GLU A 78 1.336 9.338 4.361 1.00 0.00 C ATOM 962 O GLU A 78 1.050 9.873 3.291 1.00 0.00 O ATOM 963 CB GLU A 78 2.532 10.851 6.052 1.00 0.00 C ATOM 964 CG GLU A 78 3.453 11.177 4.897 1.00 0.00 C ATOM 965 CD GLU A 78 4.055 12.562 4.990 1.00 0.00 C ATOM 966 OE1 GLU A 78 3.452 13.521 4.473 1.00 0.00 O ATOM 967 OE2 GLU A 78 5.147 12.692 5.573 1.00 0.00 O ATOM 0 H GLU A 78 1.471 9.211 7.533 1.00 0.00 H new ATOM 0 HA GLU A 78 0.464 10.899 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.285 11.778 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.074 10.225 6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.256 10.440 4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.899 11.090 3.963 1.00 0.00 H new ATOM 974 N ILE A 79 1.723 8.060 4.439 1.00 0.00 N ATOM 975 CA ILE A 79 1.748 7.201 3.253 1.00 0.00 C ATOM 976 C ILE A 79 0.332 6.944 2.751 1.00 0.00 C ATOM 977 O ILE A 79 0.029 7.187 1.585 1.00 0.00 O ATOM 978 CB ILE A 79 2.449 5.830 3.497 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.958 5.929 3.274 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.883 4.764 2.568 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.789 5.927 4.538 1.00 0.00 C ATOM 0 H ILE A 79 2.020 7.603 5.301 1.00 0.00 H new ATOM 0 HA ILE A 79 2.330 7.742 2.507 1.00 0.00 H new ATOM 0 HB ILE A 79 2.260 5.552 4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.274 5.095 2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.170 6.843 2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.386 3.815 2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.815 4.651 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.043 5.062 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.845 6.000 4.279 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.508 6.777 5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.614 5.002 5.087 1.00 0.00 H new ATOM 993 N VAL A 80 -0.541 6.480 3.639 1.00 0.00 N ATOM 994 CA VAL A 80 -1.894 6.123 3.242 1.00 0.00 C ATOM 995 C VAL A 80 -2.682 7.363 2.817 1.00 0.00 C ATOM 996 O VAL A 80 -3.475 7.315 1.871 1.00 0.00 O ATOM 997 CB VAL A 80 -2.643 5.343 4.350 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.586 6.067 5.682 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.080 5.110 3.942 1.00 0.00 C ATOM 0 H VAL A 80 -0.337 6.344 4.629 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.811 5.456 2.384 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.144 4.382 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.123 5.488 6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.546 6.184 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.048 7.049 5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.597 4.561 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.574 6.069 3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.107 4.532 3.018 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.436 8.476 3.495 1.00 0.00 N ATOM 1010 CA ASP A 81 -3.028 9.750 3.116 1.00 0.00 C ATOM 1011 C ASP A 81 -2.541 10.156 1.733 1.00 0.00 C ATOM 1012 O ASP A 81 -3.305 10.662 0.917 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.663 10.834 4.129 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.250 12.185 3.773 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.439 12.424 4.073 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -2.521 13.015 3.195 1.00 0.00 O ATOM 0 H ASP A 81 -1.828 8.521 4.313 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.112 9.637 3.100 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.016 10.537 5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.578 10.918 4.191 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.266 9.893 1.474 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.650 10.223 0.194 1.00 0.00 C ATOM 1023 C TYR A 82 -1.310 9.412 -0.908 1.00 0.00 C ATOM 1024 O TYR A 82 -1.591 9.918 -1.998 1.00 0.00 O ATOM 1025 CB TYR A 82 0.844 9.903 0.225 1.00 0.00 C ATOM 1026 CG TYR A 82 1.685 10.786 -0.666 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.784 10.544 -2.031 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.384 11.861 -0.135 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.560 11.351 -2.840 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.161 12.672 -0.937 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.244 12.415 -2.290 1.00 0.00 C ATOM 1032 OH TYR A 82 4.016 13.223 -3.094 1.00 0.00 O ATOM 0 H TYR A 82 -0.634 9.448 2.139 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.783 11.288 0.004 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.202 9.994 1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.988 8.864 -0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.247 9.714 -2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.319 12.066 0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.631 11.150 -3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.701 13.503 -0.508 1.00 0.00 H new ATOM 0 HH TYR A 82 4.429 13.926 -2.551 1.00 0.00 H new ATOM 1042 N MET A 83 -1.551 8.142 -0.597 1.00 0.00 N ATOM 1043 CA MET A 83 -2.198 7.224 -1.518 1.00 0.00 C ATOM 1044 C MET A 83 -3.557 7.758 -1.932 1.00 0.00 C ATOM 1045 O MET A 83 -3.819 7.942 -3.114 1.00 0.00 O ATOM 1046 CB MET A 83 -2.366 5.843 -0.875 1.00 0.00 C ATOM 1047 CG MET A 83 -1.061 5.203 -0.440 1.00 0.00 C ATOM 1048 SD MET A 83 0.052 4.878 -1.813 1.00 0.00 S ATOM 1049 CE MET A 83 -0.924 3.727 -2.772 1.00 0.00 C ATOM 0 H MET A 83 -1.302 7.724 0.300 1.00 0.00 H new ATOM 0 HA MET A 83 -1.565 7.130 -2.401 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.021 5.934 -0.008 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.865 5.182 -1.583 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.564 5.856 0.277 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.276 4.267 0.076 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.294 3.255 -3.526 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.336 2.962 -2.113 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.738 4.261 -3.262 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.411 8.031 -0.956 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.768 8.500 -1.245 1.00 0.00 C ATOM 1061 C VAL A 84 -5.758 9.894 -1.862 1.00 0.00 C ATOM 1062 O VAL A 84 -6.640 10.244 -2.641 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.677 8.500 0.007 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.545 7.196 0.762 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -6.388 9.686 0.920 1.00 0.00 C ATOM 0 H VAL A 84 -4.196 7.938 0.037 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.180 7.791 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.706 8.600 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.192 7.216 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.837 6.369 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.510 7.061 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.048 9.647 1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.351 9.645 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.558 10.615 0.375 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.758 10.684 -1.503 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.660 12.052 -1.976 1.00 0.00 C ATOM 1077 C ALA A 85 -4.414 12.103 -3.484 1.00 0.00 C ATOM 1078 O ALA A 85 -5.041 12.886 -4.199 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.555 12.781 -1.227 1.00 0.00 C ATOM 0 H ALA A 85 -4.001 10.398 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.610 12.550 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.487 13.807 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.780 12.785 -0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.605 12.274 -1.396 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.497 11.272 -3.963 1.00 0.00 N ATOM 1086 CA ARG A 86 -3.147 11.258 -5.384 1.00 0.00 C ATOM 1087 C ARG A 86 -3.913 10.175 -6.143 1.00 0.00 C ATOM 1088 O ARG A 86 -4.371 10.393 -7.265 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.641 11.044 -5.564 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.835 12.321 -5.792 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.866 13.266 -4.598 1.00 0.00 C ATOM 1092 NE ARG A 86 -2.096 14.061 -4.537 1.00 0.00 N ATOM 1093 CZ ARG A 86 -2.362 14.950 -3.578 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -1.448 15.226 -2.656 1.00 0.00 N ATOM 1095 NH2 ARG A 86 -3.523 15.595 -3.571 1.00 0.00 N ATOM 0 H ARG A 86 -2.982 10.600 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.428 12.227 -5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.252 10.539 -4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.482 10.375 -6.410 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.199 12.057 -6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.225 12.839 -6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.766 12.688 -3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.008 13.936 -4.648 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.790 13.927 -5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.542 14.759 -2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.652 15.906 -1.923 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.213 15.411 -4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.725 16.274 -2.837 1.00 0.00 H new ATOM 1109 N TYR A 87 -4.052 9.014 -5.522 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.667 7.855 -6.162 1.00 0.00 C ATOM 1111 C TYR A 87 -6.076 7.627 -5.627 1.00 0.00 C ATOM 1112 O TYR A 87 -6.531 6.494 -5.504 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.798 6.612 -5.923 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.372 6.751 -6.424 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -2.103 6.885 -7.781 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.295 6.747 -5.540 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.807 7.008 -8.243 1.00 0.00 C ATOM 1118 CE2 TYR A 87 0.008 6.869 -5.997 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.243 6.998 -7.350 1.00 0.00 C ATOM 1120 OH TYR A 87 1.534 7.112 -7.814 1.00 0.00 O ATOM 0 H TYR A 87 -3.744 8.846 -4.564 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.738 8.042 -7.233 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.778 6.395 -4.855 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.263 5.756 -6.413 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.921 6.893 -8.486 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.479 6.647 -4.480 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.617 7.112 -9.301 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.832 6.863 -5.299 1.00 0.00 H new ATOM 0 HH TYR A 87 2.002 7.811 -7.311 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.780 8.711 -5.346 1.00 0.00 N ATOM 1131 CA GLY A 88 -8.081 8.603 -4.715 1.00 0.00 C ATOM 1132 C GLY A 88 -9.208 8.274 -5.680 1.00 0.00 C ATOM 1133 O GLY A 88 -10.333 8.739 -5.501 1.00 0.00 O ATOM 0 H GLY A 88 -6.476 9.664 -5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.038 7.832 -3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.309 9.543 -4.212 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.917 7.482 -6.700 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.953 7.000 -7.604 1.00 0.00 C ATOM 1139 C ASN A 89 -10.325 5.583 -7.228 1.00 0.00 C ATOM 1140 O ASN A 89 -11.496 5.209 -7.192 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.492 7.042 -9.068 1.00 0.00 C ATOM 1142 CG ASN A 89 -9.324 8.450 -9.608 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -8.970 9.377 -8.880 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -9.572 8.617 -10.896 1.00 0.00 N ATOM 0 H ASN A 89 -7.976 7.159 -6.923 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.819 7.655 -7.508 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.544 6.511 -9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.216 6.509 -9.684 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -9.472 9.540 -11.319 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.863 7.823 -11.466 1.00 0.00 H new ATOM 1151 N PHE A 90 -9.302 4.810 -6.932 1.00 0.00 N ATOM 1152 CA PHE A 90 -9.465 3.416 -6.558 1.00 0.00 C ATOM 1153 C PHE A 90 -9.207 3.232 -5.065 1.00 0.00 C ATOM 1154 O PHE A 90 -9.761 2.332 -4.437 1.00 0.00 O ATOM 1155 CB PHE A 90 -8.509 2.539 -7.380 1.00 0.00 C ATOM 1156 CG PHE A 90 -8.627 1.063 -7.101 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -9.620 0.307 -7.703 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -7.743 0.435 -6.239 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -9.728 -1.048 -7.451 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -7.845 -0.919 -5.984 1.00 0.00 C ATOM 1161 CZ PHE A 90 -8.839 -1.662 -6.590 1.00 0.00 C ATOM 0 H PHE A 90 -8.333 5.128 -6.943 1.00 0.00 H new ATOM 0 HA PHE A 90 -10.490 3.112 -6.768 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.696 2.713 -8.440 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.484 2.854 -7.181 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.318 0.782 -8.377 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.965 1.011 -5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.507 -1.626 -7.927 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.148 -1.396 -5.311 1.00 0.00 H new ATOM 0 HZ PHE A 90 -8.921 -2.720 -6.391 1.00 0.00 H new ATOM 1171 N VAL A 91 -8.385 4.104 -4.497 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.966 3.941 -3.115 1.00 0.00 C ATOM 1173 C VAL A 91 -8.739 4.894 -2.199 1.00 0.00 C ATOM 1174 O VAL A 91 -9.221 5.944 -2.636 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.437 4.163 -2.949 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.701 3.968 -4.263 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -6.134 5.536 -2.388 1.00 0.00 C ATOM 0 H VAL A 91 -7.999 4.923 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.189 2.914 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.084 3.414 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.634 4.131 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.865 2.953 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.075 4.680 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.056 5.657 -2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.522 6.299 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.606 5.642 -1.411 1.00 0.00 H new ATOM 1187 N THR A 92 -8.866 4.512 -0.938 1.00 0.00 N ATOM 1188 CA THR A 92 -9.558 5.323 0.056 1.00 0.00 C ATOM 1189 C THR A 92 -9.084 4.955 1.463 1.00 0.00 C ATOM 1190 O THR A 92 -8.828 3.791 1.741 1.00 0.00 O ATOM 1191 CB THR A 92 -11.084 5.119 -0.055 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.561 5.643 -1.304 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.814 5.774 1.106 1.00 0.00 C ATOM 0 H THR A 92 -8.494 3.635 -0.574 1.00 0.00 H new ATOM 0 HA THR A 92 -9.328 6.372 -0.131 1.00 0.00 H new ATOM 0 HB THR A 92 -11.287 4.049 -0.016 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.800 5.940 -1.846 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.887 5.613 0.999 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.473 5.336 2.044 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.607 6.844 1.109 1.00 0.00 H new ATOM 1201 N TYR A 93 -8.943 5.938 2.344 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.487 5.663 3.696 1.00 0.00 C ATOM 1203 C TYR A 93 -9.687 5.412 4.604 1.00 0.00 C ATOM 1204 O TYR A 93 -10.374 6.341 5.019 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.633 6.833 4.208 1.00 0.00 C ATOM 1206 CG TYR A 93 -7.018 6.618 5.576 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.724 5.342 6.039 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -6.709 7.699 6.396 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -6.141 5.147 7.274 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -6.128 7.510 7.637 1.00 0.00 C ATOM 1211 CZ TYR A 93 -5.847 6.230 8.070 1.00 0.00 C ATOM 1212 OH TYR A 93 -5.258 6.031 9.298 1.00 0.00 O ATOM 0 H TYR A 93 -9.136 6.920 2.148 1.00 0.00 H new ATOM 0 HA TYR A 93 -7.866 4.767 3.698 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.834 7.022 3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.252 7.730 4.240 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.956 4.487 5.421 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.926 8.702 6.058 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.916 4.147 7.615 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.896 8.359 8.263 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.570 5.337 9.222 1.00 0.00 H new ATOM 1222 N ASP A 94 -9.906 4.141 4.906 1.00 0.00 N ATOM 1223 CA ASP A 94 -11.057 3.689 5.682 1.00 0.00 C ATOM 1224 C ASP A 94 -10.764 2.314 6.257 1.00 0.00 C ATOM 1225 O ASP A 94 -9.853 1.631 5.782 1.00 0.00 O ATOM 1226 CB ASP A 94 -12.305 3.592 4.798 1.00 0.00 C ATOM 1227 CG ASP A 94 -13.262 4.755 4.970 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -14.131 4.691 5.858 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -13.125 5.754 4.228 1.00 0.00 O ATOM 0 H ASP A 94 -9.285 3.385 4.618 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.239 4.409 6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.997 3.537 3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -12.830 2.664 5.025 1.00 0.00 H new ATOM 1234 N PRO A 95 -11.499 1.891 7.298 1.00 0.00 N ATOM 1235 CA PRO A 95 -11.466 0.502 7.760 1.00 0.00 C ATOM 1236 C PRO A 95 -11.878 -0.442 6.632 1.00 0.00 C ATOM 1237 O PRO A 95 -12.979 -0.317 6.091 1.00 0.00 O ATOM 1238 CB PRO A 95 -12.486 0.466 8.905 1.00 0.00 C ATOM 1239 CG PRO A 95 -13.308 1.700 8.739 1.00 0.00 C ATOM 1240 CD PRO A 95 -12.406 2.719 8.108 1.00 0.00 C ATOM 0 HA PRO A 95 -10.474 0.184 8.079 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.105 -0.429 8.852 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.988 0.452 9.875 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.178 1.507 8.111 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.681 2.052 9.701 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.963 3.428 7.495 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.865 3.299 8.856 1.00 0.00 H new ATOM 1248 N PRO A 96 -11.002 -1.395 6.263 1.00 0.00 N ATOM 1249 CA PRO A 96 -11.114 -2.121 4.996 1.00 0.00 C ATOM 1250 C PRO A 96 -12.439 -2.866 4.835 1.00 0.00 C ATOM 1251 O PRO A 96 -13.342 -2.386 4.144 1.00 0.00 O ATOM 1252 CB PRO A 96 -9.925 -3.087 5.000 1.00 0.00 C ATOM 1253 CG PRO A 96 -9.034 -2.660 6.116 1.00 0.00 C ATOM 1254 CD PRO A 96 -9.862 -1.853 7.070 1.00 0.00 C ATOM 0 HA PRO A 96 -11.098 -1.432 4.152 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -10.261 -4.114 5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.396 -3.054 4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.606 -3.528 6.619 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.201 -2.069 5.737 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.191 -2.454 7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.298 -1.013 7.474 1.00 0.00 H new ATOM 1262 N LEU A 97 -12.552 -4.035 5.460 1.00 0.00 N ATOM 1263 CA LEU A 97 -13.783 -4.818 5.416 1.00 0.00 C ATOM 1264 C LEU A 97 -14.202 -5.194 6.824 1.00 0.00 C ATOM 1265 O LEU A 97 -15.115 -5.993 7.029 1.00 0.00 O ATOM 1266 CB LEU A 97 -13.599 -6.097 4.588 1.00 0.00 C ATOM 1267 CG LEU A 97 -13.571 -5.926 3.062 1.00 0.00 C ATOM 1268 CD1 LEU A 97 -14.744 -5.080 2.590 1.00 0.00 C ATOM 1269 CD2 LEU A 97 -12.251 -5.328 2.597 1.00 0.00 C ATOM 0 H LEU A 97 -11.803 -4.462 6.005 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.553 -4.207 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -12.667 -6.572 4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.406 -6.786 4.840 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.663 -6.916 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.703 -4.973 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -15.679 -5.565 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.692 -4.095 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -12.263 -5.220 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -12.112 -4.350 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -11.431 -5.985 2.887 1.00 0.00 H new ATOM 1281 N THR A 98 -13.498 -4.635 7.791 1.00 0.00 N ATOM 1282 CA THR A 98 -13.771 -4.904 9.191 1.00 0.00 C ATOM 1283 C THR A 98 -15.031 -4.168 9.657 1.00 0.00 C ATOM 1284 O THR A 98 -15.203 -2.978 9.389 1.00 0.00 O ATOM 1285 CB THR A 98 -12.567 -4.507 10.080 1.00 0.00 C ATOM 1286 OG1 THR A 98 -12.842 -4.807 11.456 1.00 0.00 O ATOM 1287 CG2 THR A 98 -12.228 -3.029 9.935 1.00 0.00 C ATOM 0 H THR A 98 -12.727 -3.987 7.631 1.00 0.00 H new ATOM 0 HA THR A 98 -13.937 -5.977 9.291 1.00 0.00 H new ATOM 0 HB THR A 98 -11.707 -5.088 9.747 1.00 0.00 H new ATOM 0 HG1 THR A 98 -12.072 -4.553 12.006 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.378 -2.786 10.573 1.00 0.00 H new ATOM 0 HG22 THR A 98 -11.975 -2.814 8.897 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.088 -2.428 10.231 1.00 0.00 H new ATOM 1295 N PRO A 99 -15.941 -4.884 10.333 1.00 0.00 N ATOM 1296 CA PRO A 99 -17.150 -4.288 10.907 1.00 0.00 C ATOM 1297 C PRO A 99 -16.815 -3.283 12.007 1.00 0.00 C ATOM 1298 O PRO A 99 -16.286 -3.698 13.058 1.00 0.00 O ATOM 1299 CB PRO A 99 -17.918 -5.485 11.480 1.00 0.00 C ATOM 1300 CG PRO A 99 -16.896 -6.557 11.649 1.00 0.00 C ATOM 1301 CD PRO A 99 -15.876 -6.335 10.572 1.00 0.00 C ATOM 0 HA PRO A 99 -17.723 -3.730 10.167 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -18.387 -5.234 12.431 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -18.714 -5.802 10.806 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -16.437 -6.505 12.636 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -17.349 -7.544 11.559 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -14.881 -6.645 10.891 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -16.113 -6.901 9.671 1.00 0.00 H new TER 1309 PRO A 99