USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 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 Single : A 1 ASP N :NH3+ -110:sc= 0.786 (180deg=-0.416!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 3 ASN : amide:sc= -2.33! C(o=-2.3!,f=-3.1!) USER MOD Single : A 4 HIS : no HD1:sc= -0.164 K(o=-0.16,f=-0.72) USER MOD Single : A 7 GLN : amide:sc= -2.7! X(o=-2.7!,f=-2.5) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0604 K(o=-0.06,f=-1.1) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 151:sc= -0.558 (180deg=-2.56!) USER MOD Single : A 35 SER OG : rot 69:sc= 0.375 USER MOD Single : A 36 GLN : amide:sc= -0.983 K(o=-0.98,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 91:sc= 1.03 USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.224) USER MOD Single : A 46 SER OG : rot -46:sc= 0.602 USER MOD Single : A 47 HIS : no HD1:sc= -8.98! C(o=-9!,f=-11!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.12) USER MOD Single : A 58 GLN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.041 X(o=-0.041,f=-0.28) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 88:sc= 0.61 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 44.412 -3.717 3.666 1.00 0.00 N ATOM 2 CA ASP A 1 43.346 -4.344 2.832 1.00 0.00 C ATOM 3 C ASP A 1 43.134 -3.536 1.550 1.00 0.00 C ATOM 4 O ASP A 1 43.088 -4.078 0.463 1.00 0.00 O ATOM 5 CB ASP A 1 42.090 -4.308 3.703 1.00 0.00 C ATOM 6 CG ASP A 1 41.951 -2.926 4.344 1.00 0.00 C ATOM 7 OD1 ASP A 1 42.757 -2.610 5.203 1.00 0.00 O ATOM 8 OD2 ASP A 1 41.041 -2.208 3.964 1.00 0.00 O ATOM 0 H1 ASP A 1 45.257 -4.323 3.663 1.00 0.00 H new ATOM 0 H2 ASP A 1 44.654 -2.784 3.276 1.00 0.00 H new ATOM 0 H3 ASP A 1 44.069 -3.606 4.642 1.00 0.00 H new ATOM 0 HA ASP A 1 43.602 -5.359 2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 1 41.210 -4.531 3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 1 42.149 -5.074 4.476 1.00 0.00 H new ATOM 15 N GLN A 2 43.004 -2.243 1.667 1.00 0.00 N ATOM 16 CA GLN A 2 42.794 -1.401 0.453 1.00 0.00 C ATOM 17 C GLN A 2 43.544 -0.074 0.594 1.00 0.00 C ATOM 18 O GLN A 2 43.828 0.377 1.686 1.00 0.00 O ATOM 19 CB GLN A 2 41.285 -1.161 0.393 1.00 0.00 C ATOM 20 CG GLN A 2 40.582 -2.441 -0.061 1.00 0.00 C ATOM 21 CD GLN A 2 40.501 -2.465 -1.589 1.00 0.00 C ATOM 22 OE1 GLN A 2 41.451 -2.829 -2.253 1.00 0.00 O ATOM 23 NE2 GLN A 2 39.399 -2.089 -2.177 1.00 0.00 N ATOM 0 H GLN A 2 43.034 -1.733 2.550 1.00 0.00 H new ATOM 0 HA GLN A 2 43.166 -1.881 -0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 2 40.915 -0.858 1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 2 41.063 -0.347 -0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 2 41.126 -3.314 0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 2 39.581 -2.490 0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.602 -1.784 -1.619 1.00 0.00 H new ATOM 0 HE22 GLN A 2 39.335 -2.101 -3.195 1.00 0.00 H new ATOM 32 N ASN A 3 43.868 0.555 -0.503 1.00 0.00 N ATOM 33 CA ASN A 3 44.599 1.852 -0.430 1.00 0.00 C ATOM 34 C ASN A 3 43.808 2.859 0.410 1.00 0.00 C ATOM 35 O ASN A 3 44.332 3.864 0.847 1.00 0.00 O ATOM 36 CB ASN A 3 44.705 2.329 -1.880 1.00 0.00 C ATOM 37 CG ASN A 3 45.533 3.614 -1.936 1.00 0.00 C ATOM 38 OD1 ASN A 3 45.297 4.535 -1.180 1.00 0.00 O ATOM 39 ND2 ASN A 3 46.501 3.714 -2.806 1.00 0.00 N ATOM 0 H ASN A 3 43.658 0.227 -1.446 1.00 0.00 H new ATOM 0 HA ASN A 3 45.578 1.748 0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 3 45.169 1.558 -2.495 1.00 0.00 H new ATOM 0 HB3 ASN A 3 43.710 2.507 -2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 3 47.060 4.566 -2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 3 46.698 2.940 -3.440 1.00 0.00 H new ATOM 46 N HIS A 4 42.551 2.597 0.638 1.00 0.00 N ATOM 47 CA HIS A 4 41.728 3.540 1.450 1.00 0.00 C ATOM 48 C HIS A 4 41.346 2.894 2.784 1.00 0.00 C ATOM 49 O HIS A 4 41.401 1.690 2.941 1.00 0.00 O ATOM 50 CB HIS A 4 40.481 3.805 0.605 1.00 0.00 C ATOM 51 CG HIS A 4 39.736 4.984 1.168 1.00 0.00 C ATOM 52 ND1 HIS A 4 40.387 6.110 1.646 1.00 0.00 N ATOM 53 CD2 HIS A 4 38.395 5.226 1.336 1.00 0.00 C ATOM 54 CE1 HIS A 4 39.445 6.971 2.075 1.00 0.00 C ATOM 55 NE2 HIS A 4 38.214 6.481 1.908 1.00 0.00 N ATOM 0 H HIS A 4 42.057 1.772 0.298 1.00 0.00 H new ATOM 0 HA HIS A 4 42.264 4.460 1.685 1.00 0.00 H new ATOM 0 HB2 HIS A 4 40.764 4.000 -0.429 1.00 0.00 H new ATOM 0 HB3 HIS A 4 39.839 2.924 0.599 1.00 0.00 H new ATOM 0 HD2 HIS A 4 37.601 4.545 1.065 1.00 0.00 H new ATOM 0 HE1 HIS A 4 39.659 7.940 2.502 1.00 0.00 H new ATOM 0 HE2 HIS A 4 37.331 6.931 2.148 1.00 0.00 H new ATOM 63 N ILE A 5 40.958 3.684 3.747 1.00 0.00 N ATOM 64 CA ILE A 5 40.572 3.114 5.071 1.00 0.00 C ATOM 65 C ILE A 5 39.114 2.666 5.051 1.00 0.00 C ATOM 66 O ILE A 5 38.534 2.337 6.066 1.00 0.00 O ATOM 67 CB ILE A 5 40.761 4.259 6.059 1.00 0.00 C ATOM 68 CG1 ILE A 5 42.207 4.756 5.996 1.00 0.00 C ATOM 69 CG2 ILE A 5 40.449 3.771 7.475 1.00 0.00 C ATOM 70 CD1 ILE A 5 42.264 6.219 6.440 1.00 0.00 C ATOM 0 H ILE A 5 40.891 4.699 3.675 1.00 0.00 H new ATOM 0 HA ILE A 5 41.168 2.240 5.333 1.00 0.00 H new ATOM 0 HB ILE A 5 40.086 5.075 5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 5 42.841 4.145 6.639 1.00 0.00 H new ATOM 0 HG13 ILE A 5 42.593 4.658 4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 5 40.585 4.591 8.180 1.00 0.00 H new ATOM 0 HG22 ILE A 5 39.418 3.420 7.520 1.00 0.00 H new ATOM 0 HG23 ILE A 5 41.122 2.954 7.735 1.00 0.00 H new ATOM 0 HD11 ILE A 5 43.294 6.573 6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 5 41.643 6.824 5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 5 41.895 6.304 7.462 1.00 0.00 H new ATOM 82 N GLU A 6 38.526 2.653 3.898 1.00 0.00 N ATOM 83 CA GLU A 6 37.103 2.229 3.782 1.00 0.00 C ATOM 84 C GLU A 6 36.217 3.103 4.672 1.00 0.00 C ATOM 85 O GLU A 6 36.697 3.894 5.460 1.00 0.00 O ATOM 86 CB GLU A 6 37.081 0.779 4.263 1.00 0.00 C ATOM 87 CG GLU A 6 36.660 -0.135 3.110 1.00 0.00 C ATOM 88 CD GLU A 6 35.134 -0.242 3.075 1.00 0.00 C ATOM 89 OE1 GLU A 6 34.484 0.681 3.536 1.00 0.00 O ATOM 90 OE2 GLU A 6 34.642 -1.246 2.586 1.00 0.00 O ATOM 0 H GLU A 6 38.969 2.919 3.019 1.00 0.00 H new ATOM 0 HA GLU A 6 36.725 2.326 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 6 38.067 0.491 4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 6 36.388 0.672 5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 6 37.029 0.261 2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 6 37.102 -1.124 3.235 1.00 0.00 H new ATOM 97 N GLN A 7 34.926 2.966 4.552 1.00 0.00 N ATOM 98 CA GLN A 7 34.006 3.787 5.390 1.00 0.00 C ATOM 99 C GLN A 7 32.582 3.230 5.315 1.00 0.00 C ATOM 100 O GLN A 7 31.729 3.791 4.657 1.00 0.00 O ATOM 101 CB GLN A 7 34.066 5.190 4.785 1.00 0.00 C ATOM 102 CG GLN A 7 34.537 6.185 5.848 1.00 0.00 C ATOM 103 CD GLN A 7 34.398 7.611 5.311 1.00 0.00 C ATOM 104 OE1 GLN A 7 34.572 7.848 4.132 1.00 0.00 O ATOM 105 NE2 GLN A 7 34.088 8.577 6.132 1.00 0.00 N ATOM 0 H GLN A 7 34.467 2.320 3.909 1.00 0.00 H new ATOM 0 HA GLN A 7 34.292 3.784 6.442 1.00 0.00 H new ATOM 0 HB2 GLN A 7 34.747 5.202 3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 7 33.084 5.479 4.411 1.00 0.00 H new ATOM 0 HG2 GLN A 7 33.947 6.068 6.757 1.00 0.00 H new ATOM 0 HG3 GLN A 7 35.575 5.985 6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 7 33.942 8.378 7.122 1.00 0.00 H new ATOM 0 HE22 GLN A 7 33.992 9.531 5.784 1.00 0.00 H new ATOM 114 N PRO A 8 32.376 2.136 5.997 1.00 0.00 N ATOM 115 CA PRO A 8 31.043 1.487 6.013 1.00 0.00 C ATOM 116 C PRO A 8 30.062 2.301 6.862 1.00 0.00 C ATOM 117 O PRO A 8 28.863 2.120 6.786 1.00 0.00 O ATOM 118 CB PRO A 8 31.315 0.127 6.650 1.00 0.00 C ATOM 119 CG PRO A 8 32.548 0.325 7.475 1.00 0.00 C ATOM 120 CD PRO A 8 33.357 1.409 6.809 1.00 0.00 C ATOM 0 HA PRO A 8 30.593 1.407 5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 8 30.476 -0.195 7.266 1.00 0.00 H new ATOM 0 HB3 PRO A 8 31.467 -0.641 5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 8 32.288 0.610 8.494 1.00 0.00 H new ATOM 0 HG3 PRO A 8 33.122 -0.600 7.539 1.00 0.00 H new ATOM 0 HD2 PRO A 8 33.830 2.062 7.543 1.00 0.00 H new ATOM 0 HD3 PRO A 8 34.154 0.991 6.193 1.00 0.00 H new ATOM 128 N PHE A 9 30.563 3.196 7.669 1.00 0.00 N ATOM 129 CA PHE A 9 29.658 4.020 8.521 1.00 0.00 C ATOM 130 C PHE A 9 29.342 5.348 7.827 1.00 0.00 C ATOM 131 O PHE A 9 28.326 5.964 8.079 1.00 0.00 O ATOM 132 CB PHE A 9 30.442 4.263 9.811 1.00 0.00 C ATOM 133 CG PHE A 9 29.569 4.997 10.800 1.00 0.00 C ATOM 134 CD1 PHE A 9 29.469 6.392 10.746 1.00 0.00 C ATOM 135 CD2 PHE A 9 28.858 4.282 11.772 1.00 0.00 C ATOM 136 CE1 PHE A 9 28.660 7.073 11.663 1.00 0.00 C ATOM 137 CE2 PHE A 9 28.048 4.963 12.689 1.00 0.00 C ATOM 138 CZ PHE A 9 27.949 6.358 12.635 1.00 0.00 C ATOM 0 H PHE A 9 31.558 3.392 7.775 1.00 0.00 H new ATOM 0 HA PHE A 9 28.705 3.526 8.710 1.00 0.00 H new ATOM 0 HB2 PHE A 9 30.770 3.314 10.234 1.00 0.00 H new ATOM 0 HB3 PHE A 9 31.339 4.845 9.600 1.00 0.00 H new ATOM 0 HD1 PHE A 9 30.017 6.943 9.996 1.00 0.00 H new ATOM 0 HD2 PHE A 9 28.934 3.206 11.814 1.00 0.00 H new ATOM 0 HE1 PHE A 9 28.584 8.150 11.621 1.00 0.00 H new ATOM 0 HE2 PHE A 9 27.499 4.412 13.438 1.00 0.00 H new ATOM 0 HZ PHE A 9 27.325 6.883 13.343 1.00 0.00 H new ATOM 148 N TYR A 10 30.204 5.791 6.954 1.00 0.00 N ATOM 149 CA TYR A 10 29.952 7.078 6.244 1.00 0.00 C ATOM 150 C TYR A 10 28.759 6.933 5.295 1.00 0.00 C ATOM 151 O TYR A 10 28.082 7.892 4.981 1.00 0.00 O ATOM 152 CB TYR A 10 31.235 7.356 5.464 1.00 0.00 C ATOM 153 CG TYR A 10 30.971 8.395 4.400 1.00 0.00 C ATOM 154 CD1 TYR A 10 30.721 9.723 4.766 1.00 0.00 C ATOM 155 CD2 TYR A 10 30.975 8.030 3.048 1.00 0.00 C ATOM 156 CE1 TYR A 10 30.475 10.686 3.780 1.00 0.00 C ATOM 157 CE2 TYR A 10 30.730 8.993 2.062 1.00 0.00 C ATOM 158 CZ TYR A 10 30.480 10.321 2.428 1.00 0.00 C ATOM 159 OH TYR A 10 30.238 11.271 1.456 1.00 0.00 O ATOM 0 H TYR A 10 31.072 5.318 6.701 1.00 0.00 H new ATOM 0 HA TYR A 10 29.711 7.890 6.930 1.00 0.00 H new ATOM 0 HB2 TYR A 10 32.015 7.705 6.141 1.00 0.00 H new ATOM 0 HB3 TYR A 10 31.599 6.437 5.005 1.00 0.00 H new ATOM 0 HD1 TYR A 10 30.718 10.004 5.809 1.00 0.00 H new ATOM 0 HD2 TYR A 10 31.167 7.005 2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 10 30.281 11.710 4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 10 30.734 8.712 1.019 1.00 0.00 H new ATOM 0 HH TYR A 10 30.279 10.852 0.571 1.00 0.00 H new ATOM 169 N LEU A 11 28.496 5.740 4.836 1.00 0.00 N ATOM 170 CA LEU A 11 27.347 5.534 3.908 1.00 0.00 C ATOM 171 C LEU A 11 26.039 5.465 4.695 1.00 0.00 C ATOM 172 O LEU A 11 25.084 6.156 4.399 1.00 0.00 O ATOM 173 CB LEU A 11 27.630 4.199 3.218 1.00 0.00 C ATOM 174 CG LEU A 11 27.635 4.397 1.702 1.00 0.00 C ATOM 175 CD1 LEU A 11 26.243 4.826 1.237 1.00 0.00 C ATOM 176 CD2 LEU A 11 28.650 5.482 1.335 1.00 0.00 C ATOM 0 H LEU A 11 29.027 4.899 5.063 1.00 0.00 H new ATOM 0 HA LEU A 11 27.243 6.349 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 11 28.592 3.805 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.873 3.466 3.497 1.00 0.00 H new ATOM 0 HG LEU A 11 27.908 3.461 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 11 26.248 4.967 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 11 25.518 4.055 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 11 25.969 5.762 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.655 5.625 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 11 28.376 6.417 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.643 5.178 1.666 1.00 0.00 H new ATOM 188 N MET A 12 25.990 4.634 5.696 1.00 0.00 N ATOM 189 CA MET A 12 24.746 4.513 6.509 1.00 0.00 C ATOM 190 C MET A 12 24.164 5.900 6.795 1.00 0.00 C ATOM 191 O MET A 12 22.977 6.056 7.000 1.00 0.00 O ATOM 192 CB MET A 12 25.186 3.837 7.807 1.00 0.00 C ATOM 193 CG MET A 12 24.523 2.462 7.917 1.00 0.00 C ATOM 194 SD MET A 12 25.284 1.532 9.270 1.00 0.00 S ATOM 195 CE MET A 12 24.435 -0.038 8.972 1.00 0.00 C ATOM 0 H MET A 12 26.759 4.031 5.989 1.00 0.00 H new ATOM 0 HA MET A 12 23.971 3.944 5.996 1.00 0.00 H new ATOM 0 HB2 MET A 12 26.271 3.732 7.825 1.00 0.00 H new ATOM 0 HB3 MET A 12 24.911 4.454 8.662 1.00 0.00 H new ATOM 0 HG2 MET A 12 23.454 2.575 8.096 1.00 0.00 H new ATOM 0 HG3 MET A 12 24.634 1.917 6.980 1.00 0.00 H new ATOM 0 HE1 MET A 12 24.761 -0.773 9.708 1.00 0.00 H new ATOM 0 HE2 MET A 12 23.358 0.109 9.058 1.00 0.00 H new ATOM 0 HE3 MET A 12 24.674 -0.396 7.971 1.00 0.00 H new ATOM 205 N GLY A 13 24.992 6.908 6.811 1.00 0.00 N ATOM 206 CA GLY A 13 24.487 8.283 7.084 1.00 0.00 C ATOM 207 C GLY A 13 23.825 8.845 5.825 1.00 0.00 C ATOM 208 O GLY A 13 22.795 9.486 5.887 1.00 0.00 O ATOM 0 H GLY A 13 25.996 6.839 6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 13 23.771 8.262 7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 13 25.309 8.928 7.394 1.00 0.00 H new ATOM 212 N ARG A 14 24.408 8.609 4.682 1.00 0.00 N ATOM 213 CA ARG A 14 23.811 9.130 3.418 1.00 0.00 C ATOM 214 C ARG A 14 23.122 7.998 2.653 1.00 0.00 C ATOM 215 O ARG A 14 22.696 8.165 1.527 1.00 0.00 O ATOM 216 CB ARG A 14 24.994 9.677 2.618 1.00 0.00 C ATOM 217 CG ARG A 14 24.476 10.568 1.487 1.00 0.00 C ATOM 218 CD ARG A 14 25.632 10.928 0.551 1.00 0.00 C ATOM 219 NE ARG A 14 25.202 12.183 -0.126 1.00 0.00 N ATOM 220 CZ ARG A 14 24.528 12.125 -1.242 1.00 0.00 C ATOM 221 NH1 ARG A 14 23.861 11.045 -1.545 1.00 0.00 N ATOM 222 NH2 ARG A 14 24.522 13.146 -2.054 1.00 0.00 N ATOM 0 H ARG A 14 25.272 8.078 4.568 1.00 0.00 H new ATOM 0 HA ARG A 14 23.055 9.894 3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 14 25.656 10.247 3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.581 8.855 2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.692 10.052 0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.031 11.474 1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.558 11.076 1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.817 10.133 -0.171 1.00 0.00 H new ATOM 0 HE ARG A 14 25.434 13.088 0.283 1.00 0.00 H new ATOM 0 HH11 ARG A 14 23.867 10.247 -0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.334 10.999 -2.417 1.00 0.00 H new ATOM 0 HH21 ARG A 14 25.044 13.989 -1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 14 23.995 13.101 -2.926 1.00 0.00 H new ATOM 236 N ASP A 15 23.008 6.845 3.255 1.00 0.00 N ATOM 237 CA ASP A 15 22.346 5.703 2.561 1.00 0.00 C ATOM 238 C ASP A 15 20.848 5.690 2.876 1.00 0.00 C ATOM 239 O ASP A 15 20.084 4.963 2.273 1.00 0.00 O ATOM 240 CB ASP A 15 23.023 4.453 3.123 1.00 0.00 C ATOM 241 CG ASP A 15 22.914 3.313 2.109 1.00 0.00 C ATOM 242 OD1 ASP A 15 23.615 3.364 1.112 1.00 0.00 O ATOM 243 OD2 ASP A 15 22.131 2.408 2.346 1.00 0.00 O ATOM 0 H ASP A 15 23.344 6.644 4.197 1.00 0.00 H new ATOM 0 HA ASP A 15 22.442 5.766 1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 15 24.071 4.661 3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 15 22.553 4.164 4.063 1.00 0.00 H new ATOM 248 N LYS A 16 20.424 6.488 3.817 1.00 0.00 N ATOM 249 CA LYS A 16 18.976 6.521 4.172 1.00 0.00 C ATOM 250 C LYS A 16 18.117 6.496 2.905 1.00 0.00 C ATOM 251 O LYS A 16 17.736 5.448 2.423 1.00 0.00 O ATOM 252 CB LYS A 16 18.783 7.838 4.925 1.00 0.00 C ATOM 253 CG LYS A 16 18.741 7.565 6.430 1.00 0.00 C ATOM 254 CD LYS A 16 18.708 8.893 7.189 1.00 0.00 C ATOM 255 CE LYS A 16 20.008 9.063 7.978 1.00 0.00 C ATOM 256 NZ LYS A 16 19.590 9.637 9.288 1.00 0.00 N ATOM 0 H LYS A 16 21.017 7.119 4.356 1.00 0.00 H new ATOM 0 HA LYS A 16 18.679 5.660 4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.597 8.525 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 16 17.858 8.319 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.862 6.970 6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.614 6.984 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.584 9.720 6.490 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.854 8.916 7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.518 8.109 8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.701 9.726 7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.428 9.783 9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.114 10.548 9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.936 8.981 9.762 1.00 0.00 H new ATOM 270 N ALA A 17 17.809 7.642 2.362 1.00 0.00 N ATOM 271 CA ALA A 17 16.975 7.680 1.127 1.00 0.00 C ATOM 272 C ALA A 17 17.441 6.608 0.140 1.00 0.00 C ATOM 273 O ALA A 17 16.665 6.081 -0.632 1.00 0.00 O ATOM 274 CB ALA A 17 17.190 9.076 0.546 1.00 0.00 C ATOM 0 H ALA A 17 18.098 8.552 2.719 1.00 0.00 H new ATOM 0 HA ALA A 17 15.923 7.483 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.607 9.183 -0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.870 9.825 1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 17 18.247 9.218 0.321 1.00 0.00 H new ATOM 280 N LEU A 18 18.703 6.281 0.160 1.00 0.00 N ATOM 281 CA LEU A 18 19.218 5.241 -0.775 1.00 0.00 C ATOM 282 C LEU A 18 18.718 3.859 -0.349 1.00 0.00 C ATOM 283 O LEU A 18 18.568 2.964 -1.157 1.00 0.00 O ATOM 284 CB LEU A 18 20.740 5.321 -0.660 1.00 0.00 C ATOM 285 CG LEU A 18 21.362 5.265 -2.056 1.00 0.00 C ATOM 286 CD1 LEU A 18 22.653 6.086 -2.074 1.00 0.00 C ATOM 287 CD2 LEU A 18 21.678 3.812 -2.414 1.00 0.00 C ATOM 0 H LEU A 18 19.400 6.689 0.783 1.00 0.00 H new ATOM 0 HA LEU A 18 18.880 5.401 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 18 21.029 6.245 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.113 4.497 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 18 20.661 5.675 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 18 23.096 6.046 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 18 22.429 7.122 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 18 23.355 5.676 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 18 22.121 3.771 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.379 3.402 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 18 20.759 3.226 -2.402 1.00 0.00 H new ATOM 299 N ALA A 19 18.455 3.680 0.917 1.00 0.00 N ATOM 300 CA ALA A 19 17.962 2.358 1.397 1.00 0.00 C ATOM 301 C ALA A 19 16.487 2.182 1.028 1.00 0.00 C ATOM 302 O ALA A 19 15.955 1.090 1.061 1.00 0.00 O ATOM 303 CB ALA A 19 18.136 2.396 2.913 1.00 0.00 C ATOM 0 H ALA A 19 18.560 4.392 1.640 1.00 0.00 H new ATOM 0 HA ALA A 19 18.504 1.526 0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.794 1.454 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.188 2.544 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 19 17.550 3.217 3.326 1.00 0.00 H new ATOM 309 N VAL A 20 15.823 3.248 0.673 1.00 0.00 N ATOM 310 CA VAL A 20 14.388 3.140 0.298 1.00 0.00 C ATOM 311 C VAL A 20 14.273 2.666 -1.157 1.00 0.00 C ATOM 312 O VAL A 20 13.382 1.919 -1.509 1.00 0.00 O ATOM 313 CB VAL A 20 13.834 4.563 0.491 1.00 0.00 C ATOM 314 CG1 VAL A 20 12.863 4.928 -0.635 1.00 0.00 C ATOM 315 CG2 VAL A 20 13.100 4.639 1.832 1.00 0.00 C ATOM 0 H VAL A 20 16.214 4.189 0.627 1.00 0.00 H new ATOM 0 HA VAL A 20 13.832 2.418 0.896 1.00 0.00 H new ATOM 0 HB VAL A 20 14.667 5.266 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.485 5.938 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 20 13.382 4.881 -1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.030 4.225 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.705 5.645 1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.278 3.923 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.793 4.404 2.640 1.00 0.00 H new ATOM 325 N GLU A 21 15.173 3.092 -2.001 1.00 0.00 N ATOM 326 CA GLU A 21 15.118 2.661 -3.426 1.00 0.00 C ATOM 327 C GLU A 21 15.533 1.193 -3.542 1.00 0.00 C ATOM 328 O GLU A 21 15.280 0.542 -4.536 1.00 0.00 O ATOM 329 CB GLU A 21 16.115 3.563 -4.154 1.00 0.00 C ATOM 330 CG GLU A 21 15.474 4.106 -5.433 1.00 0.00 C ATOM 331 CD GLU A 21 16.266 5.319 -5.926 1.00 0.00 C ATOM 332 OE1 GLU A 21 17.284 5.116 -6.567 1.00 0.00 O ATOM 333 OE2 GLU A 21 15.841 6.429 -5.654 1.00 0.00 O ATOM 0 H GLU A 21 15.943 3.719 -1.766 1.00 0.00 H new ATOM 0 HA GLU A 21 14.116 2.745 -3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.415 4.387 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 21 17.018 3.003 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.458 3.333 -6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.438 4.388 -5.242 1.00 0.00 H new ATOM 340 N GLN A 22 16.164 0.666 -2.529 1.00 0.00 N ATOM 341 CA GLN A 22 16.589 -0.762 -2.577 1.00 0.00 C ATOM 342 C GLN A 22 15.408 -1.663 -2.220 1.00 0.00 C ATOM 343 O GLN A 22 15.183 -2.687 -2.834 1.00 0.00 O ATOM 344 CB GLN A 22 17.695 -0.889 -1.528 1.00 0.00 C ATOM 345 CG GLN A 22 18.609 -2.062 -1.889 1.00 0.00 C ATOM 346 CD GLN A 22 19.468 -2.432 -0.678 1.00 0.00 C ATOM 347 OE1 GLN A 22 18.994 -2.432 0.440 1.00 0.00 O ATOM 348 NE2 GLN A 22 20.721 -2.748 -0.856 1.00 0.00 N ATOM 0 H GLN A 22 16.404 1.162 -1.670 1.00 0.00 H new ATOM 0 HA GLN A 22 16.937 -1.058 -3.566 1.00 0.00 H new ATOM 0 HB2 GLN A 22 18.272 0.034 -1.479 1.00 0.00 H new ATOM 0 HB3 GLN A 22 17.259 -1.044 -0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 22 18.012 -2.919 -2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 22 19.246 -1.794 -2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 22 21.119 -2.748 -1.795 1.00 0.00 H new ATOM 0 HE22 GLN A 22 21.303 -2.995 -0.056 1.00 0.00 H new ATOM 357 N PHE A 23 14.652 -1.283 -1.231 1.00 0.00 N ATOM 358 CA PHE A 23 13.478 -2.107 -0.827 1.00 0.00 C ATOM 359 C PHE A 23 12.405 -2.061 -1.918 1.00 0.00 C ATOM 360 O PHE A 23 11.604 -2.964 -2.054 1.00 0.00 O ATOM 361 CB PHE A 23 12.964 -1.462 0.460 1.00 0.00 C ATOM 362 CG PHE A 23 13.469 -2.241 1.651 1.00 0.00 C ATOM 363 CD1 PHE A 23 12.998 -3.537 1.890 1.00 0.00 C ATOM 364 CD2 PHE A 23 14.409 -1.667 2.515 1.00 0.00 C ATOM 365 CE1 PHE A 23 13.467 -4.260 2.994 1.00 0.00 C ATOM 366 CE2 PHE A 23 14.877 -2.389 3.619 1.00 0.00 C ATOM 367 CZ PHE A 23 14.406 -3.685 3.859 1.00 0.00 C ATOM 0 H PHE A 23 14.795 -0.435 -0.682 1.00 0.00 H new ATOM 0 HA PHE A 23 13.738 -3.155 -0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 23 13.300 -0.427 0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 23 11.874 -1.443 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 23 12.273 -3.980 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 23 14.773 -0.667 2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.105 -5.261 3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.602 -1.946 4.286 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.767 -4.241 4.711 1.00 0.00 H new ATOM 377 N ILE A 24 12.383 -1.014 -2.698 1.00 0.00 N ATOM 378 CA ILE A 24 11.363 -0.911 -3.780 1.00 0.00 C ATOM 379 C ILE A 24 11.885 -1.566 -5.062 1.00 0.00 C ATOM 380 O ILE A 24 11.162 -2.247 -5.761 1.00 0.00 O ATOM 381 CB ILE A 24 11.156 0.589 -3.990 1.00 0.00 C ATOM 382 CG1 ILE A 24 10.501 1.191 -2.745 1.00 0.00 C ATOM 383 CG2 ILE A 24 10.251 0.816 -5.202 1.00 0.00 C ATOM 384 CD1 ILE A 24 10.588 2.717 -2.809 1.00 0.00 C ATOM 0 H ILE A 24 13.027 -0.226 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 24 10.433 -1.417 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 24 12.120 1.068 -4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.459 0.878 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.998 0.825 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.104 1.886 -5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.717 0.387 -6.089 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.287 0.338 -5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.121 3.146 -1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.634 3.020 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.071 3.074 -3.700 1.00 0.00 H new ATOM 396 N SER A 25 13.137 -1.367 -5.374 1.00 0.00 N ATOM 397 CA SER A 25 13.703 -1.980 -6.609 1.00 0.00 C ATOM 398 C SER A 25 13.740 -3.504 -6.472 1.00 0.00 C ATOM 399 O SER A 25 13.673 -4.227 -7.445 1.00 0.00 O ATOM 400 CB SER A 25 15.119 -1.416 -6.718 1.00 0.00 C ATOM 401 OG SER A 25 15.748 -1.946 -7.877 1.00 0.00 O ATOM 0 H SER A 25 13.791 -0.807 -4.828 1.00 0.00 H new ATOM 0 HA SER A 25 13.107 -1.755 -7.493 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.086 -0.328 -6.774 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.694 -1.673 -5.828 1.00 0.00 H new ATOM 0 HG SER A 25 16.656 -1.585 -7.950 1.00 0.00 H new ATOM 407 N ARG A 26 13.845 -3.996 -5.268 1.00 0.00 N ATOM 408 CA ARG A 26 13.883 -5.473 -5.067 1.00 0.00 C ATOM 409 C ARG A 26 12.463 -6.042 -5.086 1.00 0.00 C ATOM 410 O ARG A 26 12.248 -7.193 -5.409 1.00 0.00 O ATOM 411 CB ARG A 26 14.523 -5.670 -3.692 1.00 0.00 C ATOM 412 CG ARG A 26 15.815 -6.477 -3.841 1.00 0.00 C ATOM 413 CD ARG A 26 15.529 -7.955 -3.566 1.00 0.00 C ATOM 414 NE ARG A 26 16.850 -8.541 -3.205 1.00 0.00 N ATOM 415 CZ ARG A 26 17.419 -8.220 -2.075 1.00 0.00 C ATOM 416 NH1 ARG A 26 16.762 -8.346 -0.954 1.00 0.00 N ATOM 417 NH2 ARG A 26 18.645 -7.772 -2.066 1.00 0.00 N ATOM 0 H ARG A 26 13.906 -3.440 -4.415 1.00 0.00 H new ATOM 0 HA ARG A 26 14.441 -5.984 -5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.736 -4.703 -3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.832 -6.189 -3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 26 16.219 -6.355 -4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 26 16.570 -6.107 -3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.810 -8.074 -2.756 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.106 -8.445 -4.443 1.00 0.00 H new ATOM 0 HE ARG A 26 17.310 -9.193 -3.841 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.804 -8.695 -0.961 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.207 -8.095 -0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 26 19.158 -7.673 -2.942 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.090 -7.521 -1.183 1.00 0.00 H new ATOM 431 N PHE A 27 11.491 -5.242 -4.742 1.00 0.00 N ATOM 432 CA PHE A 27 10.084 -5.734 -4.741 1.00 0.00 C ATOM 433 C PHE A 27 9.459 -5.547 -6.126 1.00 0.00 C ATOM 434 O PHE A 27 8.415 -6.092 -6.426 1.00 0.00 O ATOM 435 CB PHE A 27 9.364 -4.870 -3.705 1.00 0.00 C ATOM 436 CG PHE A 27 8.704 -5.749 -2.690 1.00 0.00 C ATOM 437 CD1 PHE A 27 9.403 -6.129 -1.549 1.00 0.00 C ATOM 438 CD2 PHE A 27 7.397 -6.178 -2.894 1.00 0.00 C ATOM 439 CE1 PHE A 27 8.791 -6.951 -0.595 1.00 0.00 C ATOM 440 CE2 PHE A 27 6.775 -6.999 -1.946 1.00 0.00 C ATOM 441 CZ PHE A 27 7.474 -7.387 -0.794 1.00 0.00 C ATOM 0 H PHE A 27 11.610 -4.269 -4.461 1.00 0.00 H new ATOM 0 HA PHE A 27 10.016 -6.796 -4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 27 10.074 -4.203 -3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.621 -4.241 -4.195 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.417 -5.790 -1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.862 -5.878 -3.783 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.332 -7.248 0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.760 -7.333 -2.101 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.998 -8.021 -0.061 1.00 0.00 H new ATOM 451 N ASN A 28 10.090 -4.779 -6.972 1.00 0.00 N ATOM 452 CA ASN A 28 9.534 -4.557 -8.337 1.00 0.00 C ATOM 453 C ASN A 28 9.020 -5.876 -8.919 1.00 0.00 C ATOM 454 O ASN A 28 7.870 -6.232 -8.755 1.00 0.00 O ATOM 455 CB ASN A 28 10.708 -4.027 -9.161 1.00 0.00 C ATOM 456 CG ASN A 28 10.757 -2.502 -9.058 1.00 0.00 C ATOM 457 OD1 ASN A 28 9.822 -1.882 -8.590 1.00 0.00 O ATOM 458 ND2 ASN A 28 11.816 -1.865 -9.478 1.00 0.00 N ATOM 0 H ASN A 28 10.967 -4.296 -6.777 1.00 0.00 H new ATOM 0 HA ASN A 28 8.693 -3.863 -8.334 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.643 -4.457 -8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.600 -4.328 -10.203 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.858 -0.848 -9.413 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.601 -2.384 -9.871 1.00 0.00 H new ATOM 465 N SER A 29 9.863 -6.605 -9.597 1.00 0.00 N ATOM 466 CA SER A 29 9.423 -7.901 -10.187 1.00 0.00 C ATOM 467 C SER A 29 8.604 -8.694 -9.165 1.00 0.00 C ATOM 468 O SER A 29 7.783 -9.517 -9.518 1.00 0.00 O ATOM 469 CB SER A 29 10.717 -8.639 -10.527 1.00 0.00 C ATOM 470 OG SER A 29 11.404 -8.959 -9.325 1.00 0.00 O ATOM 0 H SER A 29 10.838 -6.359 -9.768 1.00 0.00 H new ATOM 0 HA SER A 29 8.790 -7.764 -11.064 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.495 -9.548 -11.086 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.346 -8.019 -11.165 1.00 0.00 H new ATOM 0 HG SER A 29 12.234 -9.434 -9.539 1.00 0.00 H new ATOM 476 N GLY A 30 8.819 -8.451 -7.902 1.00 0.00 N ATOM 477 CA GLY A 30 8.052 -9.190 -6.860 1.00 0.00 C ATOM 478 C GLY A 30 6.593 -8.765 -6.909 1.00 0.00 C ATOM 479 O GLY A 30 5.696 -9.535 -6.626 1.00 0.00 O ATOM 0 H GLY A 30 9.493 -7.773 -7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.135 -10.264 -7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.468 -8.986 -5.874 1.00 0.00 H new ATOM 483 N TYR A 31 6.349 -7.546 -7.281 1.00 0.00 N ATOM 484 CA TYR A 31 4.944 -7.062 -7.368 1.00 0.00 C ATOM 485 C TYR A 31 4.177 -7.877 -8.413 1.00 0.00 C ATOM 486 O TYR A 31 2.973 -7.768 -8.537 1.00 0.00 O ATOM 487 CB TYR A 31 5.054 -5.599 -7.799 1.00 0.00 C ATOM 488 CG TYR A 31 3.706 -5.110 -8.273 1.00 0.00 C ATOM 489 CD1 TYR A 31 3.282 -5.384 -9.579 1.00 0.00 C ATOM 490 CD2 TYR A 31 2.881 -4.383 -7.407 1.00 0.00 C ATOM 491 CE1 TYR A 31 2.033 -4.931 -10.019 1.00 0.00 C ATOM 492 CE2 TYR A 31 1.632 -3.930 -7.847 1.00 0.00 C ATOM 493 CZ TYR A 31 1.207 -4.204 -9.153 1.00 0.00 C ATOM 494 OH TYR A 31 -0.024 -3.757 -9.586 1.00 0.00 O ATOM 0 H TYR A 31 7.061 -6.860 -7.530 1.00 0.00 H new ATOM 0 HA TYR A 31 4.408 -7.165 -6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.401 -4.989 -6.965 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.790 -5.498 -8.597 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.919 -5.945 -10.247 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.208 -4.172 -6.400 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.706 -5.142 -11.026 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.996 -3.369 -7.179 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.469 -3.271 -8.861 1.00 0.00 H new ATOM 504 N ILE A 32 4.863 -8.699 -9.165 1.00 0.00 N ATOM 505 CA ILE A 32 4.165 -9.519 -10.196 1.00 0.00 C ATOM 506 C ILE A 32 3.734 -10.858 -9.594 1.00 0.00 C ATOM 507 O ILE A 32 2.746 -11.442 -9.994 1.00 0.00 O ATOM 508 CB ILE A 32 5.200 -9.731 -11.302 1.00 0.00 C ATOM 509 CG1 ILE A 32 5.322 -8.452 -12.134 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.758 -10.884 -12.205 1.00 0.00 C ATOM 511 CD1 ILE A 32 6.599 -7.708 -11.742 1.00 0.00 C ATOM 0 H ILE A 32 5.872 -8.837 -9.109 1.00 0.00 H new ATOM 0 HA ILE A 32 3.264 -9.035 -10.574 1.00 0.00 H new ATOM 0 HB ILE A 32 6.165 -9.971 -10.855 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.343 -8.697 -13.196 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.453 -7.815 -11.971 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.497 -11.033 -12.992 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.668 -11.795 -11.614 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.793 -10.646 -12.653 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.686 -6.797 -12.334 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.560 -7.450 -10.684 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.463 -8.346 -11.928 1.00 0.00 H new ATOM 523 N LYS A 33 4.464 -11.344 -8.629 1.00 0.00 N ATOM 524 CA LYS A 33 4.095 -12.640 -7.994 1.00 0.00 C ATOM 525 C LYS A 33 3.080 -12.402 -6.874 1.00 0.00 C ATOM 526 O LYS A 33 2.460 -13.320 -6.377 1.00 0.00 O ATOM 527 CB LYS A 33 5.403 -13.192 -7.427 1.00 0.00 C ATOM 528 CG LYS A 33 5.307 -14.714 -7.306 1.00 0.00 C ATOM 529 CD LYS A 33 6.556 -15.355 -7.914 1.00 0.00 C ATOM 530 CE LYS A 33 6.365 -16.871 -7.992 1.00 0.00 C ATOM 531 NZ LYS A 33 5.032 -17.059 -8.630 1.00 0.00 N ATOM 0 H LYS A 33 5.301 -10.899 -8.252 1.00 0.00 H new ATOM 0 HA LYS A 33 3.636 -13.333 -8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.236 -12.920 -8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.603 -12.751 -6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.211 -15.001 -6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.415 -15.074 -7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.738 -14.949 -8.909 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.431 -15.119 -7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.154 -17.338 -8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.396 -17.324 -7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.022 -17.957 -9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.295 -17.078 -7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.847 -16.273 -9.286 1.00 0.00 H new ATOM 545 N ALA A 34 2.907 -11.171 -6.474 1.00 0.00 N ATOM 546 CA ALA A 34 1.933 -10.869 -5.387 1.00 0.00 C ATOM 547 C ALA A 34 0.630 -10.327 -5.982 1.00 0.00 C ATOM 548 O ALA A 34 -0.395 -10.301 -5.331 1.00 0.00 O ATOM 549 CB ALA A 34 2.615 -9.803 -4.530 1.00 0.00 C ATOM 0 H ALA A 34 3.398 -10.362 -6.853 1.00 0.00 H new ATOM 0 HA ALA A 34 1.673 -11.754 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.959 -9.526 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.550 -10.198 -4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.822 -8.924 -5.140 1.00 0.00 H new ATOM 555 N SER A 35 0.663 -9.894 -7.214 1.00 0.00 N ATOM 556 CA SER A 35 -0.577 -9.355 -7.845 1.00 0.00 C ATOM 557 C SER A 35 -1.770 -10.246 -7.503 1.00 0.00 C ATOM 558 O SER A 35 -2.826 -9.774 -7.133 1.00 0.00 O ATOM 559 CB SER A 35 -0.301 -9.377 -9.348 1.00 0.00 C ATOM 560 OG SER A 35 0.205 -8.111 -9.751 1.00 0.00 O ATOM 0 H SER A 35 1.492 -9.890 -7.809 1.00 0.00 H new ATOM 0 HA SER A 35 -0.818 -8.352 -7.493 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.418 -10.161 -9.586 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.216 -9.606 -9.894 1.00 0.00 H new ATOM 0 HG SER A 35 1.104 -7.985 -9.382 1.00 0.00 H new ATOM 566 N GLN A 36 -1.604 -11.532 -7.613 1.00 0.00 N ATOM 567 CA GLN A 36 -2.727 -12.456 -7.282 1.00 0.00 C ATOM 568 C GLN A 36 -3.050 -12.348 -5.795 1.00 0.00 C ATOM 569 O GLN A 36 -4.190 -12.207 -5.399 1.00 0.00 O ATOM 570 CB GLN A 36 -2.212 -13.857 -7.617 1.00 0.00 C ATOM 571 CG GLN A 36 -3.393 -14.825 -7.713 1.00 0.00 C ATOM 572 CD GLN A 36 -2.887 -16.210 -8.122 1.00 0.00 C ATOM 573 OE1 GLN A 36 -3.632 -17.011 -8.649 1.00 0.00 O ATOM 574 NE2 GLN A 36 -1.641 -16.527 -7.898 1.00 0.00 N ATOM 0 H GLN A 36 -0.742 -11.985 -7.917 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.637 -12.222 -7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.665 -13.839 -8.560 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.514 -14.193 -6.850 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.908 -14.883 -6.754 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.117 -14.461 -8.442 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.015 -15.854 -7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.293 -17.448 -8.166 1.00 0.00 H new ATOM 583 N GLU A 37 -2.045 -12.405 -4.971 1.00 0.00 N ATOM 584 CA GLU A 37 -2.272 -12.298 -3.504 1.00 0.00 C ATOM 585 C GLU A 37 -2.925 -10.953 -3.175 1.00 0.00 C ATOM 586 O GLU A 37 -3.595 -10.806 -2.172 1.00 0.00 O ATOM 587 CB GLU A 37 -0.878 -12.386 -2.881 1.00 0.00 C ATOM 588 CG GLU A 37 -0.343 -13.812 -3.025 1.00 0.00 C ATOM 589 CD GLU A 37 1.177 -13.772 -3.192 1.00 0.00 C ATOM 590 OE1 GLU A 37 1.793 -12.886 -2.623 1.00 0.00 O ATOM 591 OE2 GLU A 37 1.699 -14.629 -3.886 1.00 0.00 O ATOM 0 H GLU A 37 -1.071 -12.522 -5.251 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.935 -13.077 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.204 -11.683 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.920 -12.107 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.608 -14.401 -2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.801 -14.299 -3.886 1.00 0.00 H new ATOM 598 N LEU A 38 -2.738 -9.972 -4.016 1.00 0.00 N ATOM 599 CA LEU A 38 -3.350 -8.638 -3.753 1.00 0.00 C ATOM 600 C LEU A 38 -4.870 -8.716 -3.919 1.00 0.00 C ATOM 601 O LEU A 38 -5.611 -7.986 -3.290 1.00 0.00 O ATOM 602 CB LEU A 38 -2.742 -7.708 -4.803 1.00 0.00 C ATOM 603 CG LEU A 38 -1.544 -6.972 -4.202 1.00 0.00 C ATOM 604 CD1 LEU A 38 -0.446 -6.835 -5.259 1.00 0.00 C ATOM 605 CD2 LEU A 38 -1.982 -5.581 -3.740 1.00 0.00 C ATOM 0 H LEU A 38 -2.189 -10.036 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.157 -8.286 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.429 -8.282 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.488 -6.991 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.161 -7.535 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.408 -6.310 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.134 -7.826 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.828 -6.271 -6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.129 -5.055 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.365 -5.019 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.765 -5.677 -2.988 1.00 0.00 H new ATOM 617 N VAL A 39 -5.338 -9.596 -4.760 1.00 0.00 N ATOM 618 CA VAL A 39 -6.809 -9.722 -4.965 1.00 0.00 C ATOM 619 C VAL A 39 -7.446 -10.460 -3.785 1.00 0.00 C ATOM 620 O VAL A 39 -8.610 -10.284 -3.485 1.00 0.00 O ATOM 621 CB VAL A 39 -6.961 -10.533 -6.251 1.00 0.00 C ATOM 622 CG1 VAL A 39 -8.396 -11.051 -6.363 1.00 0.00 C ATOM 623 CG2 VAL A 39 -6.647 -9.641 -7.455 1.00 0.00 C ATOM 0 H VAL A 39 -4.766 -10.233 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.301 -8.752 -5.035 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.271 -11.377 -6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.503 -11.629 -7.281 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.622 -11.685 -5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.087 -10.208 -6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.755 -10.218 -8.373 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.337 -8.798 -7.473 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.625 -9.271 -7.377 1.00 0.00 H new ATOM 633 N SER A 40 -6.690 -11.285 -3.113 1.00 0.00 N ATOM 634 CA SER A 40 -7.251 -12.033 -1.952 1.00 0.00 C ATOM 635 C SER A 40 -7.309 -11.126 -0.719 1.00 0.00 C ATOM 636 O SER A 40 -8.094 -11.339 0.184 1.00 0.00 O ATOM 637 CB SER A 40 -6.282 -13.191 -1.721 1.00 0.00 C ATOM 638 OG SER A 40 -7.012 -14.339 -1.308 1.00 0.00 O ATOM 0 H SER A 40 -5.709 -11.473 -3.318 1.00 0.00 H new ATOM 0 HA SER A 40 -8.266 -12.383 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.730 -13.407 -2.636 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.548 -12.920 -0.962 1.00 0.00 H new ATOM 0 HG SER A 40 -6.393 -15.085 -1.161 1.00 0.00 H new ATOM 644 N TYR A 41 -6.484 -10.116 -0.676 1.00 0.00 N ATOM 645 CA TYR A 41 -6.492 -9.196 0.498 1.00 0.00 C ATOM 646 C TYR A 41 -7.608 -8.159 0.347 1.00 0.00 C ATOM 647 O TYR A 41 -8.075 -7.591 1.315 1.00 0.00 O ATOM 648 CB TYR A 41 -5.122 -8.517 0.477 1.00 0.00 C ATOM 649 CG TYR A 41 -5.139 -7.319 1.396 1.00 0.00 C ATOM 650 CD1 TYR A 41 -5.698 -6.112 0.961 1.00 0.00 C ATOM 651 CD2 TYR A 41 -4.596 -7.415 2.682 1.00 0.00 C ATOM 652 CE1 TYR A 41 -5.714 -5.001 1.812 1.00 0.00 C ATOM 653 CE2 TYR A 41 -4.612 -6.304 3.534 1.00 0.00 C ATOM 654 CZ TYR A 41 -5.171 -5.097 3.099 1.00 0.00 C ATOM 655 OH TYR A 41 -5.187 -4.001 3.938 1.00 0.00 O ATOM 0 H TYR A 41 -5.805 -9.888 -1.402 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.672 -9.722 1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.351 -9.220 0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.874 -8.207 -0.538 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.117 -6.038 -0.032 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.164 -8.346 3.018 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.145 -4.070 1.476 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.193 -6.378 4.527 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.772 -4.238 4.794 1.00 0.00 H new ATOM 665 N THR A 42 -8.040 -7.909 -0.858 1.00 0.00 N ATOM 666 CA THR A 42 -9.126 -6.909 -1.068 1.00 0.00 C ATOM 667 C THR A 42 -10.495 -7.582 -0.948 1.00 0.00 C ATOM 668 O THR A 42 -11.478 -6.955 -0.606 1.00 0.00 O ATOM 669 CB THR A 42 -8.909 -6.381 -2.487 1.00 0.00 C ATOM 670 OG1 THR A 42 -7.517 -6.335 -2.766 1.00 0.00 O ATOM 671 CG2 THR A 42 -9.504 -4.977 -2.608 1.00 0.00 C ATOM 0 H THR A 42 -7.689 -8.353 -1.706 1.00 0.00 H new ATOM 0 HA THR A 42 -9.100 -6.109 -0.328 1.00 0.00 H new ATOM 0 HB THR A 42 -9.400 -7.043 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.236 -7.183 -3.168 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.349 -4.602 -3.620 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.572 -5.015 -2.395 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.016 -4.312 -1.896 1.00 0.00 H new ATOM 679 N ILE A 43 -10.567 -8.854 -1.227 1.00 0.00 N ATOM 680 CA ILE A 43 -11.874 -9.567 -1.128 1.00 0.00 C ATOM 681 C ILE A 43 -12.491 -9.349 0.255 1.00 0.00 C ATOM 682 O ILE A 43 -13.695 -9.348 0.416 1.00 0.00 O ATOM 683 CB ILE A 43 -11.537 -11.042 -1.341 1.00 0.00 C ATOM 684 CG1 ILE A 43 -11.259 -11.292 -2.825 1.00 0.00 C ATOM 685 CG2 ILE A 43 -12.717 -11.906 -0.892 1.00 0.00 C ATOM 686 CD1 ILE A 43 -10.436 -12.571 -2.982 1.00 0.00 C ATOM 0 H ILE A 43 -9.779 -9.431 -1.519 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.599 -9.206 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.654 -11.300 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -12.198 -11.382 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.721 -10.446 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.476 -12.958 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.917 -11.729 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.600 -11.648 -1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -10.238 -12.749 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.491 -12.463 -2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.991 -13.414 -2.570 1.00 0.00 H new ATOM 698 N LYS A 44 -11.673 -9.167 1.254 1.00 0.00 N ATOM 699 CA LYS A 44 -12.210 -8.950 2.629 1.00 0.00 C ATOM 700 C LYS A 44 -12.050 -7.485 3.032 1.00 0.00 C ATOM 701 O LYS A 44 -12.016 -7.148 4.199 1.00 0.00 O ATOM 702 CB LYS A 44 -11.361 -9.843 3.527 1.00 0.00 C ATOM 703 CG LYS A 44 -11.803 -11.299 3.369 1.00 0.00 C ATOM 704 CD LYS A 44 -10.622 -12.143 2.886 1.00 0.00 C ATOM 705 CE LYS A 44 -10.280 -13.196 3.943 1.00 0.00 C ATOM 706 NZ LYS A 44 -9.709 -12.426 5.082 1.00 0.00 N ATOM 0 H LYS A 44 -10.656 -9.159 1.179 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.272 -9.187 2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.308 -9.742 3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.463 -9.532 4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.173 -11.683 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.626 -11.365 2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.870 -12.628 1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.758 -11.505 2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.167 -13.752 4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.564 -13.923 3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.179 -13.069 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.070 -11.691 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.479 -11.980 5.620 1.00 0.00 H new ATOM 720 N LEU A 45 -11.951 -6.616 2.072 1.00 0.00 N ATOM 721 CA LEU A 45 -11.791 -5.167 2.385 1.00 0.00 C ATOM 722 C LEU A 45 -12.252 -4.314 1.201 1.00 0.00 C ATOM 723 O LEU A 45 -11.704 -4.389 0.119 1.00 0.00 O ATOM 724 CB LEU A 45 -10.294 -4.979 2.632 1.00 0.00 C ATOM 725 CG LEU A 45 -10.069 -3.723 3.476 1.00 0.00 C ATOM 726 CD1 LEU A 45 -10.815 -2.545 2.848 1.00 0.00 C ATOM 727 CD2 LEU A 45 -10.594 -3.962 4.893 1.00 0.00 C ATOM 0 H LEU A 45 -11.974 -6.844 1.078 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.388 -4.862 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.887 -5.851 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.766 -4.891 1.682 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.003 -3.498 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.655 -1.650 3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.442 -2.375 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.881 -2.769 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.434 -3.068 5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.660 -4.187 4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.062 -4.801 5.341 1.00 0.00 H new ATOM 739 N SER A 46 -13.254 -3.503 1.399 1.00 0.00 N ATOM 740 CA SER A 46 -13.751 -2.641 0.288 1.00 0.00 C ATOM 741 C SER A 46 -14.175 -3.501 -0.904 1.00 0.00 C ATOM 742 O SER A 46 -13.962 -3.145 -2.046 1.00 0.00 O ATOM 743 CB SER A 46 -12.564 -1.757 -0.083 1.00 0.00 C ATOM 744 OG SER A 46 -12.970 -0.813 -1.065 1.00 0.00 O ATOM 0 H SER A 46 -13.751 -3.399 2.283 1.00 0.00 H new ATOM 0 HA SER A 46 -14.623 -2.055 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.190 -1.241 0.801 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.746 -2.368 -0.465 1.00 0.00 H new ATOM 0 HG SER A 46 -13.493 -1.267 -1.758 1.00 0.00 H new ATOM 750 N HIS A 47 -14.776 -4.628 -0.647 1.00 0.00 N ATOM 751 CA HIS A 47 -15.218 -5.510 -1.766 1.00 0.00 C ATOM 752 C HIS A 47 -16.741 -5.620 -1.774 1.00 0.00 C ATOM 753 O HIS A 47 -17.311 -6.526 -2.349 1.00 0.00 O ATOM 754 CB HIS A 47 -14.582 -6.868 -1.480 1.00 0.00 C ATOM 755 CG HIS A 47 -13.659 -7.238 -2.608 1.00 0.00 C ATOM 756 ND1 HIS A 47 -12.446 -6.599 -2.810 1.00 0.00 N ATOM 757 CD2 HIS A 47 -13.759 -8.177 -3.604 1.00 0.00 C ATOM 758 CE1 HIS A 47 -11.869 -7.157 -3.890 1.00 0.00 C ATOM 759 NE2 HIS A 47 -12.627 -8.125 -4.412 1.00 0.00 N ATOM 0 H HIS A 47 -14.981 -4.978 0.289 1.00 0.00 H new ATOM 0 HA HIS A 47 -14.921 -5.123 -2.741 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -14.030 -6.832 -0.541 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -15.356 -7.627 -1.366 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.590 -8.853 -3.740 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.910 -6.858 -4.286 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -12.421 -8.702 -5.227 1.00 0.00 H new ATOM 767 N ASP A 48 -17.398 -4.699 -1.137 1.00 0.00 N ATOM 768 CA ASP A 48 -18.888 -4.730 -1.094 1.00 0.00 C ATOM 769 C ASP A 48 -19.460 -3.396 -1.578 1.00 0.00 C ATOM 770 O ASP A 48 -20.314 -2.813 -0.940 1.00 0.00 O ATOM 771 CB ASP A 48 -19.227 -4.955 0.373 1.00 0.00 C ATOM 772 CG ASP A 48 -20.643 -5.522 0.493 1.00 0.00 C ATOM 773 OD1 ASP A 48 -20.978 -6.396 -0.290 1.00 0.00 O ATOM 774 OD2 ASP A 48 -21.368 -5.072 1.365 1.00 0.00 O ATOM 0 H ASP A 48 -16.968 -3.919 -0.640 1.00 0.00 H new ATOM 0 HA ASP A 48 -19.307 -5.504 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -18.510 -5.643 0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -19.153 -4.016 0.922 1.00 0.00 H new ATOM 779 N PRO A 49 -18.962 -2.962 -2.699 1.00 0.00 N ATOM 780 CA PRO A 49 -19.415 -1.683 -3.299 1.00 0.00 C ATOM 781 C PRO A 49 -20.830 -1.827 -3.862 1.00 0.00 C ATOM 782 O PRO A 49 -21.625 -0.909 -3.816 1.00 0.00 O ATOM 783 CB PRO A 49 -18.407 -1.438 -4.418 1.00 0.00 C ATOM 784 CG PRO A 49 -17.880 -2.794 -4.766 1.00 0.00 C ATOM 785 CD PRO A 49 -17.936 -3.621 -3.508 1.00 0.00 C ATOM 0 HA PRO A 49 -19.457 -0.864 -2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -18.880 -0.965 -5.279 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -17.606 -0.775 -4.090 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.478 -3.250 -5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -16.858 -2.727 -5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -18.200 -4.657 -3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -16.973 -3.637 -2.997 1.00 0.00 H new ATOM 793 N ILE A 50 -21.148 -2.973 -4.393 1.00 0.00 N ATOM 794 CA ILE A 50 -22.511 -3.179 -4.960 1.00 0.00 C ATOM 795 C ILE A 50 -23.554 -3.173 -3.842 1.00 0.00 C ATOM 796 O ILE A 50 -24.612 -2.588 -3.967 1.00 0.00 O ATOM 797 CB ILE A 50 -22.457 -4.546 -5.640 1.00 0.00 C ATOM 798 CG1 ILE A 50 -21.684 -4.430 -6.956 1.00 0.00 C ATOM 799 CG2 ILE A 50 -23.879 -5.033 -5.926 1.00 0.00 C ATOM 800 CD1 ILE A 50 -22.351 -3.382 -7.849 1.00 0.00 C ATOM 0 H ILE A 50 -20.524 -3.777 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.791 -2.390 -5.658 1.00 0.00 H new ATOM 0 HB ILE A 50 -21.956 -5.257 -4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -20.649 -4.150 -6.759 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -21.662 -5.395 -7.463 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -23.839 -6.008 -6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -24.430 -5.116 -4.989 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -24.382 -4.322 -6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -21.801 -3.299 -8.786 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -23.378 -3.682 -8.057 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -22.350 -2.417 -7.341 1.00 0.00 H new ATOM 812 N GLU A 51 -23.262 -3.818 -2.750 1.00 0.00 N ATOM 813 CA GLU A 51 -24.233 -3.849 -1.620 1.00 0.00 C ATOM 814 C GLU A 51 -24.206 -2.514 -0.873 1.00 0.00 C ATOM 815 O GLU A 51 -25.139 -2.159 -0.180 1.00 0.00 O ATOM 816 CB GLU A 51 -23.751 -4.982 -0.713 1.00 0.00 C ATOM 817 CG GLU A 51 -24.829 -6.065 -0.632 1.00 0.00 C ATOM 818 CD GLU A 51 -24.210 -7.364 -0.114 1.00 0.00 C ATOM 819 OE1 GLU A 51 -23.401 -7.290 0.796 1.00 0.00 O ATOM 820 OE2 GLU A 51 -24.556 -8.412 -0.636 1.00 0.00 O ATOM 0 H GLU A 51 -22.392 -4.326 -2.589 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.258 -4.008 -1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -22.825 -5.404 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -23.532 -4.597 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -25.633 -5.744 0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -25.271 -6.227 -1.615 1.00 0.00 H new ATOM 827 N TYR A 52 -23.142 -1.771 -1.011 1.00 0.00 N ATOM 828 CA TYR A 52 -23.053 -0.457 -0.312 1.00 0.00 C ATOM 829 C TYR A 52 -23.611 0.656 -1.203 1.00 0.00 C ATOM 830 O TYR A 52 -24.048 1.684 -0.726 1.00 0.00 O ATOM 831 CB TYR A 52 -21.561 -0.244 -0.057 1.00 0.00 C ATOM 832 CG TYR A 52 -21.221 -0.683 1.347 1.00 0.00 C ATOM 833 CD1 TYR A 52 -21.537 -1.979 1.771 1.00 0.00 C ATOM 834 CD2 TYR A 52 -20.592 0.207 2.225 1.00 0.00 C ATOM 835 CE1 TYR A 52 -21.222 -2.386 3.074 1.00 0.00 C ATOM 836 CE2 TYR A 52 -20.277 -0.199 3.528 1.00 0.00 C ATOM 837 CZ TYR A 52 -20.593 -1.496 3.952 1.00 0.00 C ATOM 838 OH TYR A 52 -20.283 -1.896 5.235 1.00 0.00 O ATOM 0 H TYR A 52 -22.330 -2.017 -1.578 1.00 0.00 H new ATOM 0 HA TYR A 52 -23.630 -0.441 0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -20.973 -0.811 -0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -21.305 0.807 -0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -22.024 -2.665 1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -20.349 1.207 1.898 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -21.465 -3.386 3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -19.791 0.488 4.205 1.00 0.00 H new ATOM 0 HH TYR A 52 -19.849 -1.158 5.712 1.00 0.00 H new ATOM 848 N LEU A 53 -23.600 0.460 -2.494 1.00 0.00 N ATOM 849 CA LEU A 53 -24.131 1.511 -3.409 1.00 0.00 C ATOM 850 C LEU A 53 -25.645 1.641 -3.237 1.00 0.00 C ATOM 851 O LEU A 53 -26.180 2.728 -3.148 1.00 0.00 O ATOM 852 CB LEU A 53 -23.790 1.023 -4.817 1.00 0.00 C ATOM 853 CG LEU A 53 -23.687 2.221 -5.762 1.00 0.00 C ATOM 854 CD1 LEU A 53 -22.220 2.462 -6.124 1.00 0.00 C ATOM 855 CD2 LEU A 53 -24.484 1.934 -7.036 1.00 0.00 C ATOM 0 H LEU A 53 -23.247 -0.380 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 53 -23.702 2.492 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -22.848 0.474 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -24.557 0.333 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 53 -24.090 3.106 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -22.147 3.316 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -21.650 2.665 -5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -21.816 1.577 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -24.411 2.787 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -24.080 1.048 -7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -25.529 1.762 -6.780 1.00 0.00 H new ATOM 867 N LEU A 54 -26.336 0.539 -3.185 1.00 0.00 N ATOM 868 CA LEU A 54 -27.815 0.595 -3.014 1.00 0.00 C ATOM 869 C LEU A 54 -28.159 1.049 -1.595 1.00 0.00 C ATOM 870 O LEU A 54 -29.189 1.646 -1.354 1.00 0.00 O ATOM 871 CB LEU A 54 -28.298 -0.836 -3.254 1.00 0.00 C ATOM 872 CG LEU A 54 -29.820 -0.891 -3.118 1.00 0.00 C ATOM 873 CD1 LEU A 54 -30.452 -1.032 -4.504 1.00 0.00 C ATOM 874 CD2 LEU A 54 -30.211 -2.093 -2.256 1.00 0.00 C ATOM 0 H LEU A 54 -25.942 -0.399 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 54 -28.286 1.300 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -27.999 -1.170 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -27.834 -1.513 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 54 -30.176 0.026 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -31.537 -1.071 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -30.173 -0.177 -5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -30.096 -1.949 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -31.296 -2.133 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -29.855 -3.009 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -29.761 -1.994 -1.268 1.00 0.00 H new ATOM 886 N GLU A 55 -27.298 0.776 -0.654 1.00 0.00 N ATOM 887 CA GLU A 55 -27.569 1.196 0.750 1.00 0.00 C ATOM 888 C GLU A 55 -27.267 2.687 0.914 1.00 0.00 C ATOM 889 O GLU A 55 -27.800 3.346 1.785 1.00 0.00 O ATOM 890 CB GLU A 55 -26.619 0.358 1.606 1.00 0.00 C ATOM 891 CG GLU A 55 -27.290 0.031 2.942 1.00 0.00 C ATOM 892 CD GLU A 55 -27.561 -1.472 3.024 1.00 0.00 C ATOM 893 OE1 GLU A 55 -26.803 -2.224 2.433 1.00 0.00 O ATOM 894 OE2 GLU A 55 -28.521 -1.846 3.676 1.00 0.00 O ATOM 0 H GLU A 55 -26.418 0.280 -0.796 1.00 0.00 H new ATOM 0 HA GLU A 55 -28.610 1.046 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -26.357 -0.562 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -25.690 0.903 1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -26.650 0.341 3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -28.224 0.585 3.037 1.00 0.00 H new ATOM 901 N GLN A 56 -26.417 3.225 0.081 1.00 0.00 N ATOM 902 CA GLN A 56 -26.084 4.674 0.188 1.00 0.00 C ATOM 903 C GLN A 56 -27.200 5.516 -0.434 1.00 0.00 C ATOM 904 O GLN A 56 -27.397 6.661 -0.080 1.00 0.00 O ATOM 905 CB GLN A 56 -24.782 4.840 -0.597 1.00 0.00 C ATOM 906 CG GLN A 56 -24.267 6.271 -0.434 1.00 0.00 C ATOM 907 CD GLN A 56 -23.150 6.296 0.611 1.00 0.00 C ATOM 908 OE1 GLN A 56 -23.184 7.083 1.536 1.00 0.00 O ATOM 909 NE2 GLN A 56 -22.153 5.461 0.503 1.00 0.00 N ATOM 0 H GLN A 56 -25.939 2.724 -0.668 1.00 0.00 H new ATOM 0 HA GLN A 56 -25.978 5.001 1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -24.036 4.131 -0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -24.950 4.621 -1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.896 6.646 -1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -25.080 6.929 -0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -22.123 4.800 -0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -21.403 5.470 1.195 1.00 0.00 H new ATOM 918 N ILE A 57 -27.933 4.957 -1.358 1.00 0.00 N ATOM 919 CA ILE A 57 -29.036 5.725 -1.999 1.00 0.00 C ATOM 920 C ILE A 57 -30.337 5.518 -1.210 1.00 0.00 C ATOM 921 O ILE A 57 -31.199 6.375 -1.178 1.00 0.00 O ATOM 922 CB ILE A 57 -29.116 5.164 -3.432 1.00 0.00 C ATOM 923 CG1 ILE A 57 -29.003 6.319 -4.429 1.00 0.00 C ATOM 924 CG2 ILE A 57 -30.438 4.431 -3.660 1.00 0.00 C ATOM 925 CD1 ILE A 57 -27.537 6.733 -4.569 1.00 0.00 C ATOM 0 H ILE A 57 -27.815 4.002 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 57 -28.868 6.802 -2.014 1.00 0.00 H new ATOM 0 HB ILE A 57 -28.299 4.457 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -29.400 6.017 -5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -29.600 7.166 -4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -30.469 4.045 -4.679 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -30.521 3.603 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -31.268 5.121 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -27.458 7.556 -5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -27.155 7.053 -3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -26.952 5.886 -4.928 1.00 0.00 H new ATOM 937 N GLN A 58 -30.480 4.389 -0.573 1.00 0.00 N ATOM 938 CA GLN A 58 -31.717 4.128 0.215 1.00 0.00 C ATOM 939 C GLN A 58 -31.634 4.838 1.569 1.00 0.00 C ATOM 940 O GLN A 58 -32.636 5.153 2.179 1.00 0.00 O ATOM 941 CB GLN A 58 -31.753 2.611 0.406 1.00 0.00 C ATOM 942 CG GLN A 58 -33.151 2.087 0.075 1.00 0.00 C ATOM 943 CD GLN A 58 -33.050 1.007 -1.003 1.00 0.00 C ATOM 944 OE1 GLN A 58 -33.321 1.259 -2.160 1.00 0.00 O ATOM 945 NE2 GLN A 58 -32.667 -0.196 -0.671 1.00 0.00 N ATOM 0 H GLN A 58 -29.793 3.635 -0.564 1.00 0.00 H new ATOM 0 HA GLN A 58 -32.613 4.495 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -31.013 2.135 -0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -31.492 2.357 1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -33.619 1.679 0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -33.784 2.904 -0.272 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -32.439 -0.409 0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -32.596 -0.923 -1.383 1.00 0.00 H new ATOM 954 N ASN A 59 -30.444 5.093 2.040 1.00 0.00 N ATOM 955 CA ASN A 59 -30.292 5.784 3.352 1.00 0.00 C ATOM 956 C ASN A 59 -30.372 7.300 3.161 1.00 0.00 C ATOM 957 O ASN A 59 -30.851 8.019 4.015 1.00 0.00 O ATOM 958 CB ASN A 59 -28.906 5.379 3.853 1.00 0.00 C ATOM 959 CG ASN A 59 -28.947 5.182 5.370 1.00 0.00 C ATOM 960 OD1 ASN A 59 -29.805 4.491 5.881 1.00 0.00 O ATOM 961 ND2 ASN A 59 -28.049 5.765 6.116 1.00 0.00 N ATOM 0 H ASN A 59 -29.570 4.853 1.573 1.00 0.00 H new ATOM 0 HA ASN A 59 -31.076 5.511 4.058 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -28.586 4.458 3.365 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -28.176 6.146 3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -28.068 5.640 7.128 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -27.328 6.345 5.687 1.00 0.00 H new ATOM 968 N LEU A 60 -29.907 7.788 2.046 1.00 0.00 N ATOM 969 CA LEU A 60 -29.956 9.257 1.797 1.00 0.00 C ATOM 970 C LEU A 60 -31.409 9.725 1.691 1.00 0.00 C ATOM 971 O LEU A 60 -31.737 10.846 2.025 1.00 0.00 O ATOM 972 CB LEU A 60 -29.227 9.459 0.468 1.00 0.00 C ATOM 973 CG LEU A 60 -28.334 10.697 0.559 1.00 0.00 C ATOM 974 CD1 LEU A 60 -26.890 10.311 0.231 1.00 0.00 C ATOM 975 CD2 LEU A 60 -28.818 11.748 -0.443 1.00 0.00 C ATOM 0 H LEU A 60 -29.495 7.234 1.295 1.00 0.00 H new ATOM 0 HA LEU A 60 -29.496 9.829 2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -28.626 8.580 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -29.949 9.577 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 60 -28.381 11.105 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -26.254 11.194 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -26.544 9.561 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -26.843 9.903 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -28.182 12.631 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -28.770 11.338 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -29.847 12.024 -0.212 1.00 0.00 H new ATOM 987 N HIS A 61 -32.281 8.873 1.229 1.00 0.00 N ATOM 988 CA HIS A 61 -33.713 9.266 1.103 1.00 0.00 C ATOM 989 C HIS A 61 -34.412 9.149 2.459 1.00 0.00 C ATOM 990 O HIS A 61 -35.380 9.830 2.732 1.00 0.00 O ATOM 991 CB HIS A 61 -34.310 8.275 0.103 1.00 0.00 C ATOM 992 CG HIS A 61 -35.153 9.017 -0.897 1.00 0.00 C ATOM 993 ND1 HIS A 61 -34.750 9.203 -2.210 1.00 0.00 N ATOM 994 CD2 HIS A 61 -36.379 9.625 -0.791 1.00 0.00 C ATOM 995 CE1 HIS A 61 -35.718 9.897 -2.836 1.00 0.00 C ATOM 996 NE2 HIS A 61 -36.734 10.180 -2.017 1.00 0.00 N ATOM 0 H HIS A 61 -32.064 7.921 0.933 1.00 0.00 H new ATOM 0 HA HIS A 61 -33.832 10.298 0.772 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -33.514 7.733 -0.408 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -34.915 7.534 0.626 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -36.977 9.666 0.107 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -35.678 10.190 -3.875 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -37.587 10.693 -2.242 1.00 0.00 H new ATOM 1004 N ARG A 62 -33.926 8.289 3.312 1.00 0.00 N ATOM 1005 CA ARG A 62 -34.559 8.126 4.652 1.00 0.00 C ATOM 1006 C ARG A 62 -33.920 9.086 5.659 1.00 0.00 C ATOM 1007 O ARG A 62 -34.527 9.464 6.642 1.00 0.00 O ATOM 1008 CB ARG A 62 -34.284 6.675 5.046 1.00 0.00 C ATOM 1009 CG ARG A 62 -35.577 6.027 5.546 1.00 0.00 C ATOM 1010 CD ARG A 62 -35.304 5.293 6.861 1.00 0.00 C ATOM 1011 NE ARG A 62 -36.488 4.412 7.061 1.00 0.00 N ATOM 1012 CZ ARG A 62 -36.484 3.521 8.015 1.00 0.00 C ATOM 1013 NH1 ARG A 62 -35.591 3.585 8.964 1.00 0.00 N ATOM 1014 NH2 ARG A 62 -37.374 2.566 8.019 1.00 0.00 N ATOM 0 H ARG A 62 -33.117 7.692 3.139 1.00 0.00 H new ATOM 0 HA ARG A 62 -35.626 8.348 4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -33.895 6.122 4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -33.521 6.637 5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -36.344 6.787 5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -35.959 5.330 4.800 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -34.384 4.711 6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -35.189 5.994 7.688 1.00 0.00 H new ATOM 0 HE ARG A 62 -37.302 4.505 6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -34.896 4.331 8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -35.588 2.889 9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -38.072 2.516 7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -37.371 1.870 8.764 1.00 0.00 H new ATOM 1028 N VAL A 63 -32.700 9.483 5.424 1.00 0.00 N ATOM 1029 CA VAL A 63 -32.024 10.418 6.369 1.00 0.00 C ATOM 1030 C VAL A 63 -32.525 11.848 6.148 1.00 0.00 C ATOM 1031 O VAL A 63 -32.335 12.718 6.974 1.00 0.00 O ATOM 1032 CB VAL A 63 -30.537 10.313 6.034 1.00 0.00 C ATOM 1033 CG1 VAL A 63 -29.786 11.486 6.666 1.00 0.00 C ATOM 1034 CG2 VAL A 63 -29.983 8.998 6.587 1.00 0.00 C ATOM 0 H VAL A 63 -32.141 9.201 4.619 1.00 0.00 H new ATOM 0 HA VAL A 63 -32.225 10.169 7.411 1.00 0.00 H new ATOM 0 HB VAL A 63 -30.406 10.339 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -28.725 11.410 6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -30.180 12.424 6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -29.916 11.461 7.748 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -28.922 8.921 6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -30.115 8.974 7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -30.517 8.161 6.138 1.00 0.00 H new ATOM 1044 N THR A 64 -33.165 12.097 5.038 1.00 0.00 N ATOM 1045 CA THR A 64 -33.677 13.471 4.765 1.00 0.00 C ATOM 1046 C THR A 64 -34.937 13.740 5.593 1.00 0.00 C ATOM 1047 O THR A 64 -35.414 14.854 5.671 1.00 0.00 O ATOM 1048 CB THR A 64 -34.004 13.482 3.272 1.00 0.00 C ATOM 1049 OG1 THR A 64 -32.797 13.555 2.526 1.00 0.00 O ATOM 1050 CG2 THR A 64 -34.880 14.693 2.948 1.00 0.00 C ATOM 0 H THR A 64 -33.356 11.410 4.309 1.00 0.00 H new ATOM 0 HA THR A 64 -32.953 14.242 5.029 1.00 0.00 H new ATOM 0 HB THR A 64 -34.540 12.569 3.010 1.00 0.00 H new ATOM 0 HG1 THR A 64 -32.455 12.650 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 64 -35.112 14.700 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 64 -35.806 14.636 3.521 1.00 0.00 H new ATOM 0 HG23 THR A 64 -34.347 15.608 3.209 1.00 0.00 H new ATOM 1058 N LEU A 65 -35.479 12.726 6.212 1.00 0.00 N ATOM 1059 CA LEU A 65 -36.707 12.925 7.034 1.00 0.00 C ATOM 1060 C LEU A 65 -36.328 13.277 8.474 1.00 0.00 C ATOM 1061 O LEU A 65 -37.083 13.906 9.189 1.00 0.00 O ATOM 1062 CB LEU A 65 -37.438 11.583 6.984 1.00 0.00 C ATOM 1063 CG LEU A 65 -38.914 11.817 6.658 1.00 0.00 C ATOM 1064 CD1 LEU A 65 -39.142 11.628 5.157 1.00 0.00 C ATOM 1065 CD2 LEU A 65 -39.771 10.813 7.433 1.00 0.00 C ATOM 0 H LEU A 65 -35.125 11.770 6.184 1.00 0.00 H new ATOM 0 HA LEU A 65 -37.326 13.741 6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -36.986 10.939 6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -37.343 11.069 7.941 1.00 0.00 H new ATOM 0 HG LEU A 65 -39.193 12.832 6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -40.194 11.795 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -38.531 12.341 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -38.864 10.613 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -40.823 10.978 7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -39.492 9.799 7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -39.609 10.946 8.503 1.00 0.00 H new ATOM 1077 N ALA A 66 -35.163 12.877 8.906 1.00 0.00 N ATOM 1078 CA ALA A 66 -34.737 13.190 10.300 1.00 0.00 C ATOM 1079 C ALA A 66 -35.899 12.964 11.272 1.00 0.00 C ATOM 1080 O ALA A 66 -36.712 13.838 11.495 1.00 0.00 O ATOM 1081 CB ALA A 66 -34.340 14.666 10.272 1.00 0.00 C ATOM 0 H ALA A 66 -34.488 12.347 8.354 1.00 0.00 H new ATOM 0 HA ALA A 66 -33.917 12.554 10.633 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -34.013 14.974 11.265 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -33.526 14.810 9.561 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -35.197 15.268 9.969 1.00 0.00 H new ATOM 1087 N GLU A 67 -35.982 11.798 11.851 1.00 0.00 N ATOM 1088 CA GLU A 67 -37.091 11.517 12.807 1.00 0.00 C ATOM 1089 C GLU A 67 -36.560 10.757 14.025 1.00 0.00 C ATOM 1090 O GLU A 67 -37.234 9.917 14.588 1.00 0.00 O ATOM 1091 CB GLU A 67 -38.080 10.653 12.025 1.00 0.00 C ATOM 1092 CG GLU A 67 -37.485 9.259 11.815 1.00 0.00 C ATOM 1093 CD GLU A 67 -38.544 8.339 11.203 1.00 0.00 C ATOM 1094 OE1 GLU A 67 -38.684 8.353 9.992 1.00 0.00 O ATOM 1095 OE2 GLU A 67 -39.196 7.636 11.958 1.00 0.00 O ATOM 0 H GLU A 67 -35.330 11.027 11.704 1.00 0.00 H new ATOM 0 HA GLU A 67 -37.555 12.430 13.180 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -39.023 10.580 12.567 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -38.301 11.115 11.063 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -36.616 9.318 11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -37.140 8.852 12.766 1.00 0.00 H new ATOM 1102 N GLY A 68 -35.355 11.045 14.437 1.00 0.00 N ATOM 1103 CA GLY A 68 -34.783 10.338 15.618 1.00 0.00 C ATOM 1104 C GLY A 68 -34.821 11.263 16.836 1.00 0.00 C ATOM 1105 O GLY A 68 -34.192 12.307 16.782 1.00 0.00 O ATOM 1106 OXT GLY A 68 -35.479 10.911 17.801 1.00 0.00 O ATOM 0 H GLY A 68 -34.743 11.738 14.007 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.350 9.429 15.821 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -33.757 10.034 15.411 1.00 0.00 H new TER 1110 GLY A 68