USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 824 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 17 LYS NZ :NH3+ -138:sc= -0.673! (180deg=0.534) USER MOD Set 1.2: A 95 CYS SG : rot -48:sc= -2.63! USER MOD Set 2.1: A 91 SER OG : rot -110:sc= 0.464 USER MOD Set 2.2: A 94 LYS NZ :NH3+ -116:sc= 0.382 (180deg=-0.352) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.184 (180deg=-0.785) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -109:sc= -0.798 (180deg=-2.83!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.066) USER MOD Single : A 24 MET CE :methyl -176:sc= -0.372 (180deg=-0.396) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.103) USER MOD Single : A 27 MET CE :methyl -118:sc= -1.4 (180deg=-4.34!) USER MOD Single : A 29 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0016) USER MOD Single : A 31 TYR OH : rot -170:sc= 0.565 USER MOD Single : A 38 SER OG : rot -107:sc= 1.51 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.19) USER MOD Single : A 52 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-0.81) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -118:sc= 0.7 (180deg=-1.11) USER MOD Single : A 65 ASN : amide:sc= -2.11! K(o=-2.1!,f=-0.98) USER MOD Single : A 70 SER OG : rot 180:sc=-0.00127 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 131:sc= 0.00357 USER MOD Single : A 76 GLN : amide:sc= -0.444 K(o=-0.44,f=-5.4!) USER MOD Single : A 77 CYS SG : rot 15:sc= -3.44! USER MOD Single : A 83 THR OG1 : rot 80:sc= -0.839 USER MOD Single : A 86 SER OG : rot 83:sc= 0.721 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0369 X(o=-0.037,f=-0.34) USER MOD Single : A 102 HIS : no HD1:sc= -0.674 X(o=-0.67,f=-0.26) USER MOD Single : A 103 HIS : no HD1:sc=-0.00734 X(o=-0.0073,f=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.311 X(o=-0.31,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.493 -11.751 3.466 1.00 14.10 N ATOM 2 CA MET A 1 -5.679 -10.461 4.189 1.00 32.02 C ATOM 3 C MET A 1 -4.335 -9.793 4.535 1.00 14.55 C ATOM 4 O MET A 1 -4.151 -8.598 4.307 1.00 72.11 O ATOM 5 CB MET A 1 -6.491 -10.695 5.473 1.00 14.21 C ATOM 6 CG MET A 1 -6.730 -9.437 6.304 1.00 35.45 C ATOM 7 SD MET A 1 -7.707 -9.757 7.788 1.00 71.33 S ATOM 8 CE MET A 1 -6.692 -10.979 8.623 1.00 70.31 C ATOM 0 H1 MET A 1 -6.422 -12.166 3.253 1.00 14.10 H new ATOM 0 H2 MET A 1 -4.978 -11.581 2.579 1.00 14.10 H new ATOM 0 H3 MET A 1 -4.949 -12.407 4.062 1.00 14.10 H new ATOM 0 HA MET A 1 -6.221 -9.787 3.525 1.00 32.02 H new ATOM 0 HB2 MET A 1 -7.455 -11.128 5.205 1.00 14.21 H new ATOM 0 HB3 MET A 1 -5.972 -11.429 6.088 1.00 14.21 H new ATOM 0 HG2 MET A 1 -5.770 -9.009 6.592 1.00 35.45 H new ATOM 0 HG3 MET A 1 -7.240 -8.693 5.692 1.00 35.45 H new ATOM 0 HE1 MET A 1 -6.982 -11.038 9.672 1.00 70.31 H new ATOM 0 HE2 MET A 1 -6.833 -11.952 8.153 1.00 70.31 H new ATOM 0 HE3 MET A 1 -5.643 -10.691 8.552 1.00 70.31 H new ATOM 20 N ALA A 2 -3.396 -10.564 5.084 1.00 41.12 N ATOM 21 CA ALA A 2 -2.116 -10.007 5.544 1.00 71.34 C ATOM 22 C ALA A 2 -1.206 -9.590 4.374 1.00 51.11 C ATOM 23 O ALA A 2 -0.477 -10.412 3.814 1.00 62.25 O ATOM 24 CB ALA A 2 -1.399 -11.010 6.445 1.00 11.14 C ATOM 0 H ALA A 2 -3.493 -11.570 5.222 1.00 41.12 H new ATOM 0 HA ALA A 2 -2.340 -9.105 6.113 1.00 71.34 H new ATOM 0 HB1 ALA A 2 -0.452 -10.586 6.780 1.00 11.14 H new ATOM 0 HB2 ALA A 2 -2.023 -11.233 7.311 1.00 11.14 H new ATOM 0 HB3 ALA A 2 -1.209 -11.928 5.889 1.00 11.14 H new ATOM 30 N LYS A 3 -1.272 -8.312 3.993 1.00 51.01 N ATOM 31 CA LYS A 3 -0.400 -7.756 2.944 1.00 20.40 C ATOM 32 C LYS A 3 0.107 -6.356 3.332 1.00 43.43 C ATOM 33 O LYS A 3 -0.633 -5.560 3.915 1.00 15.24 O ATOM 34 CB LYS A 3 -1.137 -7.664 1.596 1.00 33.25 C ATOM 35 CG LYS A 3 -1.640 -8.995 1.053 1.00 23.22 C ATOM 36 CD LYS A 3 -2.159 -8.885 -0.383 1.00 44.34 C ATOM 37 CE LYS A 3 -3.348 -7.929 -0.520 1.00 11.42 C ATOM 38 NZ LYS A 3 -2.934 -6.499 -0.555 1.00 23.40 N ATOM 0 H LYS A 3 -1.922 -7.636 4.395 1.00 51.01 H new ATOM 0 HA LYS A 3 0.448 -8.433 2.843 1.00 20.40 H new ATOM 0 HB2 LYS A 3 -1.985 -6.988 1.707 1.00 33.25 H new ATOM 0 HB3 LYS A 3 -0.467 -7.217 0.861 1.00 33.25 H new ATOM 0 HG2 LYS A 3 -0.833 -9.727 1.089 1.00 23.22 H new ATOM 0 HG3 LYS A 3 -2.437 -9.368 1.696 1.00 23.22 H new ATOM 0 HD2 LYS A 3 -1.351 -8.545 -1.030 1.00 44.34 H new ATOM 0 HD3 LYS A 3 -2.453 -9.874 -0.733 1.00 44.34 H new ATOM 0 HE2 LYS A 3 -3.897 -8.167 -1.431 1.00 11.42 H new ATOM 0 HE3 LYS A 3 -4.032 -8.085 0.314 1.00 11.42 H new ATOM 0 HZ1 LYS A 3 -3.215 -6.035 0.332 1.00 23.40 H new ATOM 0 HZ2 LYS A 3 -1.902 -6.439 -0.666 1.00 23.40 H new ATOM 0 HZ3 LYS A 3 -3.396 -6.023 -1.356 1.00 23.40 H new ATOM 52 N ALA A 4 1.370 -6.070 3.008 1.00 3.43 N ATOM 53 CA ALA A 4 1.972 -4.746 3.245 1.00 42.01 C ATOM 54 C ALA A 4 1.953 -4.346 4.732 1.00 73.51 C ATOM 55 O ALA A 4 1.977 -3.157 5.067 1.00 64.25 O ATOM 56 CB ALA A 4 1.267 -3.690 2.393 1.00 31.02 C ATOM 0 H ALA A 4 2.005 -6.742 2.576 1.00 3.43 H new ATOM 0 HA ALA A 4 3.020 -4.808 2.951 1.00 42.01 H new ATOM 0 HB1 ALA A 4 1.719 -2.715 2.575 1.00 31.02 H new ATOM 0 HB2 ALA A 4 1.369 -3.946 1.338 1.00 31.02 H new ATOM 0 HB3 ALA A 4 0.210 -3.655 2.658 1.00 31.02 H new ATOM 62 N GLN A 5 1.929 -5.337 5.621 1.00 61.44 N ATOM 63 CA GLN A 5 1.909 -5.074 7.066 1.00 23.32 C ATOM 64 C GLN A 5 2.826 -6.042 7.836 1.00 4.43 C ATOM 65 O GLN A 5 2.973 -7.211 7.461 1.00 23.24 O ATOM 66 CB GLN A 5 0.478 -5.191 7.608 1.00 60.40 C ATOM 67 CG GLN A 5 -0.120 -6.589 7.480 1.00 20.11 C ATOM 68 CD GLN A 5 -1.440 -6.727 8.217 1.00 4.12 C ATOM 69 OE1 GLN A 5 -2.509 -6.517 7.657 1.00 24.20 O ATOM 70 NE2 GLN A 5 -1.374 -7.065 9.488 1.00 74.44 N ATOM 0 H GLN A 5 1.923 -6.326 5.372 1.00 61.44 H new ATOM 0 HA GLN A 5 2.280 -4.060 7.216 1.00 23.32 H new ATOM 0 HB2 GLN A 5 0.473 -4.899 8.658 1.00 60.40 H new ATOM 0 HB3 GLN A 5 -0.160 -4.484 7.078 1.00 60.40 H new ATOM 0 HG2 GLN A 5 -0.270 -6.821 6.426 1.00 20.11 H new ATOM 0 HG3 GLN A 5 0.588 -7.320 7.870 1.00 20.11 H new ATOM 0 HE21 GLN A 5 -0.468 -7.233 9.925 1.00 74.44 H new ATOM 0 HE22 GLN A 5 -2.229 -7.159 10.036 1.00 74.44 H new ATOM 79 N PRO A 6 3.464 -5.568 8.923 1.00 31.52 N ATOM 80 CA PRO A 6 4.238 -6.429 9.825 1.00 51.21 C ATOM 81 C PRO A 6 3.354 -7.101 10.893 1.00 70.02 C ATOM 82 O PRO A 6 2.153 -6.829 10.990 1.00 33.01 O ATOM 83 CB PRO A 6 5.210 -5.435 10.464 1.00 32.21 C ATOM 84 CG PRO A 6 4.428 -4.166 10.552 1.00 61.32 C ATOM 85 CD PRO A 6 3.506 -4.152 9.353 1.00 73.14 C ATOM 0 HA PRO A 6 4.721 -7.259 9.310 1.00 51.21 H new ATOM 0 HB2 PRO A 6 5.535 -5.772 11.448 1.00 32.21 H new ATOM 0 HB3 PRO A 6 6.107 -5.309 9.858 1.00 32.21 H new ATOM 0 HG2 PRO A 6 3.859 -4.124 11.481 1.00 61.32 H new ATOM 0 HG3 PRO A 6 5.090 -3.300 10.544 1.00 61.32 H new ATOM 0 HD2 PRO A 6 2.514 -3.784 9.615 1.00 73.14 H new ATOM 0 HD3 PRO A 6 3.887 -3.505 8.563 1.00 73.14 H new ATOM 93 N ILE A 7 3.944 -7.981 11.693 1.00 11.53 N ATOM 94 CA ILE A 7 3.213 -8.629 12.781 1.00 41.32 C ATOM 95 C ILE A 7 3.266 -7.765 14.055 1.00 34.34 C ATOM 96 O ILE A 7 4.027 -8.034 14.982 1.00 4.12 O ATOM 97 CB ILE A 7 3.752 -10.060 13.087 1.00 53.13 C ATOM 98 CG1 ILE A 7 3.725 -10.956 11.827 1.00 65.54 C ATOM 99 CG2 ILE A 7 2.939 -10.712 14.210 1.00 71.40 C ATOM 100 CD1 ILE A 7 4.787 -10.632 10.788 1.00 54.23 C ATOM 0 H ILE A 7 4.921 -8.263 11.612 1.00 11.53 H new ATOM 0 HA ILE A 7 2.179 -8.731 12.453 1.00 41.32 H new ATOM 0 HB ILE A 7 4.788 -9.959 13.409 1.00 53.13 H new ATOM 0 HG12 ILE A 7 3.844 -11.995 12.135 1.00 65.54 H new ATOM 0 HG13 ILE A 7 2.743 -10.872 11.360 1.00 65.54 H new ATOM 0 HG21 ILE A 7 3.329 -11.710 14.410 1.00 71.40 H new ATOM 0 HG22 ILE A 7 3.014 -10.106 15.113 1.00 71.40 H new ATOM 0 HG23 ILE A 7 1.894 -10.785 13.908 1.00 71.40 H new ATOM 0 HD11 ILE A 7 4.688 -11.313 9.942 1.00 54.23 H new ATOM 0 HD12 ILE A 7 4.659 -9.605 10.445 1.00 54.23 H new ATOM 0 HD13 ILE A 7 5.776 -10.745 11.231 1.00 54.23 H new ATOM 112 N GLU A 8 2.489 -6.686 14.063 1.00 55.42 N ATOM 113 CA GLU A 8 2.393 -5.809 15.237 1.00 35.33 C ATOM 114 C GLU A 8 1.218 -6.234 16.128 1.00 25.21 C ATOM 115 O GLU A 8 0.056 -6.103 15.740 1.00 23.33 O ATOM 116 CB GLU A 8 2.240 -4.345 14.780 1.00 0.53 C ATOM 117 CG GLU A 8 2.231 -3.307 15.909 1.00 35.04 C ATOM 118 CD GLU A 8 0.883 -3.178 16.611 1.00 40.32 C ATOM 119 OE1 GLU A 8 -0.054 -2.608 16.011 1.00 33.54 O ATOM 120 OE2 GLU A 8 0.752 -3.644 17.760 1.00 31.10 O ATOM 0 H GLU A 8 1.915 -6.394 13.272 1.00 55.42 H new ATOM 0 HA GLU A 8 3.306 -5.896 15.826 1.00 35.33 H new ATOM 0 HB2 GLU A 8 3.055 -4.107 14.096 1.00 0.53 H new ATOM 0 HB3 GLU A 8 1.312 -4.252 14.215 1.00 0.53 H new ATOM 0 HG2 GLU A 8 2.990 -3.576 16.644 1.00 35.04 H new ATOM 0 HG3 GLU A 8 2.513 -2.336 15.501 1.00 35.04 H new ATOM 127 N ILE A 9 1.518 -6.757 17.315 1.00 42.25 N ATOM 128 CA ILE A 9 0.481 -7.252 18.231 1.00 52.15 C ATOM 129 C ILE A 9 0.561 -6.575 19.613 1.00 1.13 C ATOM 130 O ILE A 9 1.550 -6.729 20.334 1.00 64.12 O ATOM 131 CB ILE A 9 0.593 -8.789 18.419 1.00 62.21 C ATOM 132 CG1 ILE A 9 0.519 -9.508 17.063 1.00 33.05 C ATOM 133 CG2 ILE A 9 -0.496 -9.303 19.359 1.00 31.50 C ATOM 134 CD1 ILE A 9 0.634 -11.019 17.155 1.00 32.23 C ATOM 0 H ILE A 9 2.470 -6.851 17.669 1.00 42.25 H new ATOM 0 HA ILE A 9 -0.478 -7.005 17.775 1.00 52.15 H new ATOM 0 HB ILE A 9 1.561 -9.005 18.870 1.00 62.21 H new ATOM 0 HG12 ILE A 9 -0.425 -9.255 16.581 1.00 33.05 H new ATOM 0 HG13 ILE A 9 1.316 -9.132 16.421 1.00 33.05 H new ATOM 0 HG21 ILE A 9 -0.397 -10.382 19.475 1.00 31.50 H new ATOM 0 HG22 ILE A 9 -0.393 -8.822 20.332 1.00 31.50 H new ATOM 0 HG23 ILE A 9 -1.476 -9.071 18.942 1.00 31.50 H new ATOM 0 HD11 ILE A 9 0.572 -11.450 16.156 1.00 32.23 H new ATOM 0 HD12 ILE A 9 1.590 -11.284 17.606 1.00 32.23 H new ATOM 0 HD13 ILE A 9 -0.178 -11.409 17.769 1.00 32.23 H new ATOM 146 N ALA A 10 -0.484 -5.822 19.971 1.00 44.23 N ATOM 147 CA ALA A 10 -0.593 -5.193 21.300 1.00 54.10 C ATOM 148 C ALA A 10 0.601 -4.272 21.619 1.00 52.12 C ATOM 149 O ALA A 10 0.948 -4.066 22.784 1.00 54.42 O ATOM 150 CB ALA A 10 -0.747 -6.270 22.377 1.00 51.44 C ATOM 0 H ALA A 10 -1.275 -5.630 19.356 1.00 44.23 H new ATOM 0 HA ALA A 10 -1.481 -4.561 21.289 1.00 54.10 H new ATOM 0 HB1 ALA A 10 -0.827 -5.797 23.356 1.00 51.44 H new ATOM 0 HB2 ALA A 10 -1.646 -6.854 22.182 1.00 51.44 H new ATOM 0 HB3 ALA A 10 0.123 -6.927 22.361 1.00 51.44 H new ATOM 156 N GLY A 11 1.211 -3.705 20.584 1.00 3.11 N ATOM 157 CA GLY A 11 2.368 -2.831 20.766 1.00 13.44 C ATOM 158 C GLY A 11 3.686 -3.527 20.444 1.00 14.01 C ATOM 159 O GLY A 11 4.698 -2.877 20.175 1.00 75.13 O ATOM 0 H GLY A 11 0.926 -3.833 19.613 1.00 3.11 H new ATOM 0 HA2 GLY A 11 2.260 -1.954 20.128 1.00 13.44 H new ATOM 0 HA3 GLY A 11 2.391 -2.475 21.796 1.00 13.44 H new ATOM 163 N HIS A 12 3.673 -4.858 20.469 1.00 11.34 N ATOM 164 CA HIS A 12 4.869 -5.652 20.174 1.00 32.14 C ATOM 165 C HIS A 12 5.004 -5.855 18.657 1.00 44.41 C ATOM 166 O HIS A 12 4.281 -6.651 18.058 1.00 10.42 O ATOM 167 CB HIS A 12 4.802 -7.007 20.897 1.00 71.15 C ATOM 168 CG HIS A 12 4.564 -6.889 22.376 1.00 34.04 C ATOM 169 ND1 HIS A 12 5.498 -7.226 23.331 1.00 64.32 N ATOM 170 CD2 HIS A 12 3.474 -6.469 23.063 1.00 20.05 C ATOM 171 CE1 HIS A 12 4.995 -7.019 24.532 1.00 40.11 C ATOM 172 NE2 HIS A 12 3.769 -6.555 24.401 1.00 11.21 N ATOM 0 H HIS A 12 2.846 -5.413 20.691 1.00 11.34 H new ATOM 0 HA HIS A 12 5.747 -5.115 20.533 1.00 32.14 H new ATOM 0 HB2 HIS A 12 4.005 -7.606 20.456 1.00 71.15 H new ATOM 0 HB3 HIS A 12 5.735 -7.545 20.729 1.00 71.15 H new ATOM 0 HD2 HIS A 12 2.542 -6.128 22.636 1.00 20.05 H new ATOM 0 HE1 HIS A 12 5.503 -7.200 25.468 1.00 40.11 H new ATOM 0 HE2 HIS A 12 3.143 -6.302 25.166 1.00 11.21 H new ATOM 181 N GLU A 13 5.921 -5.111 18.047 1.00 3.03 N ATOM 182 CA GLU A 13 6.067 -5.085 16.586 1.00 34.23 C ATOM 183 C GLU A 13 7.107 -6.103 16.079 1.00 72.20 C ATOM 184 O GLU A 13 8.276 -6.073 16.477 1.00 54.23 O ATOM 185 CB GLU A 13 6.452 -3.667 16.135 1.00 23.12 C ATOM 186 CG GLU A 13 7.704 -3.120 16.816 1.00 43.00 C ATOM 187 CD GLU A 13 8.022 -1.690 16.409 1.00 33.54 C ATOM 188 OE1 GLU A 13 8.731 -1.498 15.399 1.00 3.21 O ATOM 189 OE2 GLU A 13 7.571 -0.755 17.102 1.00 23.31 O ATOM 0 H GLU A 13 6.582 -4.512 18.542 1.00 3.03 H new ATOM 0 HA GLU A 13 5.108 -5.369 16.153 1.00 34.23 H new ATOM 0 HB2 GLU A 13 6.609 -3.669 15.056 1.00 23.12 H new ATOM 0 HB3 GLU A 13 5.618 -2.994 16.335 1.00 23.12 H new ATOM 0 HG2 GLU A 13 7.572 -3.164 17.897 1.00 43.00 H new ATOM 0 HG3 GLU A 13 8.553 -3.759 16.572 1.00 43.00 H new ATOM 196 N PHE A 14 6.672 -7.000 15.195 1.00 72.14 N ATOM 197 CA PHE A 14 7.562 -7.992 14.577 1.00 64.21 C ATOM 198 C PHE A 14 7.529 -7.864 13.045 1.00 0.45 C ATOM 199 O PHE A 14 6.459 -7.819 12.443 1.00 52.11 O ATOM 200 CB PHE A 14 7.145 -9.416 14.982 1.00 70.23 C ATOM 201 CG PHE A 14 7.005 -9.613 16.472 1.00 62.43 C ATOM 202 CD1 PHE A 14 8.125 -9.768 17.276 1.00 21.20 C ATOM 203 CD2 PHE A 14 5.751 -9.641 17.067 1.00 23.22 C ATOM 204 CE1 PHE A 14 7.996 -9.946 18.641 1.00 73.42 C ATOM 205 CE2 PHE A 14 5.618 -9.819 18.429 1.00 51.31 C ATOM 206 CZ PHE A 14 6.741 -9.971 19.217 1.00 35.41 C ATOM 0 H PHE A 14 5.702 -7.063 14.887 1.00 72.14 H new ATOM 0 HA PHE A 14 8.576 -7.803 14.929 1.00 64.21 H new ATOM 0 HB2 PHE A 14 6.196 -9.656 14.503 1.00 70.23 H new ATOM 0 HB3 PHE A 14 7.882 -10.122 14.600 1.00 70.23 H new ATOM 0 HD1 PHE A 14 9.109 -9.749 16.831 1.00 21.20 H new ATOM 0 HD2 PHE A 14 4.868 -9.522 16.456 1.00 23.22 H new ATOM 0 HE1 PHE A 14 8.876 -10.065 19.256 1.00 73.42 H new ATOM 0 HE2 PHE A 14 4.636 -9.839 18.878 1.00 51.31 H new ATOM 0 HZ PHE A 14 6.638 -10.109 20.283 1.00 35.41 H new ATOM 216 N ALA A 15 8.698 -7.804 12.415 1.00 15.23 N ATOM 217 CA ALA A 15 8.783 -7.690 10.952 1.00 15.24 C ATOM 218 C ALA A 15 8.753 -9.068 10.266 1.00 35.51 C ATOM 219 O ALA A 15 8.663 -9.160 9.039 1.00 32.35 O ATOM 220 CB ALA A 15 10.047 -6.931 10.559 1.00 74.44 C ATOM 0 H ALA A 15 9.601 -7.832 12.888 1.00 15.23 H new ATOM 0 HA ALA A 15 7.908 -7.136 10.612 1.00 15.24 H new ATOM 0 HB1 ALA A 15 10.101 -6.852 9.473 1.00 74.44 H new ATOM 0 HB2 ALA A 15 10.022 -5.932 10.995 1.00 74.44 H new ATOM 0 HB3 ALA A 15 10.922 -7.466 10.928 1.00 74.44 H new ATOM 226 N ARG A 16 8.829 -10.134 11.060 1.00 71.22 N ATOM 227 CA ARG A 16 8.868 -11.502 10.530 1.00 50.13 C ATOM 228 C ARG A 16 8.090 -12.481 11.432 1.00 13.03 C ATOM 229 O ARG A 16 8.069 -12.334 12.655 1.00 21.24 O ATOM 230 CB ARG A 16 10.332 -11.944 10.395 1.00 13.42 C ATOM 231 CG ARG A 16 10.522 -13.376 9.906 1.00 72.41 C ATOM 232 CD ARG A 16 11.996 -13.767 9.903 1.00 31.22 C ATOM 233 NE ARG A 16 12.618 -13.542 11.209 1.00 30.20 N ATOM 234 CZ ARG A 16 13.889 -13.691 11.460 1.00 43.13 C ATOM 235 NH1 ARG A 16 14.709 -14.064 10.528 1.00 51.31 N ATOM 236 NH2 ARG A 16 14.337 -13.453 12.649 1.00 32.12 N ATOM 0 H ARG A 16 8.865 -10.080 12.078 1.00 71.22 H new ATOM 0 HA ARG A 16 8.387 -11.513 9.552 1.00 50.13 H new ATOM 0 HB2 ARG A 16 10.839 -11.269 9.706 1.00 13.42 H new ATOM 0 HB3 ARG A 16 10.821 -11.837 11.364 1.00 13.42 H new ATOM 0 HG2 ARG A 16 9.963 -14.059 10.546 1.00 72.41 H new ATOM 0 HG3 ARG A 16 10.114 -13.477 8.900 1.00 72.41 H new ATOM 0 HD2 ARG A 16 12.093 -14.818 9.630 1.00 31.22 H new ATOM 0 HD3 ARG A 16 12.524 -13.190 9.144 1.00 31.22 H new ATOM 0 HE ARG A 16 12.015 -13.248 11.977 1.00 30.20 H new ATOM 0 HH11 ARG A 16 14.362 -14.244 9.586 1.00 51.31 H new ATOM 0 HH12 ARG A 16 15.701 -14.177 10.737 1.00 51.31 H new ATOM 0 HH21 ARG A 16 13.698 -13.151 13.384 1.00 32.12 H new ATOM 0 HH22 ARG A 16 15.330 -13.568 12.852 1.00 32.12 H new ATOM 250 N LYS A 17 7.457 -13.484 10.820 1.00 64.20 N ATOM 251 CA LYS A 17 6.670 -14.489 11.557 1.00 53.41 C ATOM 252 C LYS A 17 7.510 -15.246 12.600 1.00 11.33 C ATOM 253 O LYS A 17 7.043 -15.492 13.715 1.00 34.13 O ATOM 254 CB LYS A 17 6.045 -15.484 10.564 1.00 15.51 C ATOM 255 CG LYS A 17 5.416 -16.725 11.201 1.00 22.31 C ATOM 256 CD LYS A 17 4.084 -16.433 11.894 1.00 73.23 C ATOM 257 CE LYS A 17 3.506 -17.696 12.530 1.00 4.24 C ATOM 258 NZ LYS A 17 2.111 -17.507 13.000 1.00 53.30 N ATOM 0 H LYS A 17 7.471 -13.627 9.810 1.00 64.20 H new ATOM 0 HA LYS A 17 5.888 -13.958 12.100 1.00 53.41 H new ATOM 0 HB2 LYS A 17 5.281 -14.965 9.985 1.00 15.51 H new ATOM 0 HB3 LYS A 17 6.814 -15.805 9.862 1.00 15.51 H new ATOM 0 HG2 LYS A 17 5.261 -17.482 10.432 1.00 22.31 H new ATOM 0 HG3 LYS A 17 6.112 -17.146 11.927 1.00 22.31 H new ATOM 0 HD2 LYS A 17 4.228 -15.670 12.659 1.00 73.23 H new ATOM 0 HD3 LYS A 17 3.375 -16.029 11.171 1.00 73.23 H new ATOM 0 HE2 LYS A 17 3.535 -18.510 11.806 1.00 4.24 H new ATOM 0 HE3 LYS A 17 4.132 -17.995 13.371 1.00 4.24 H new ATOM 0 HZ1 LYS A 17 1.993 -17.960 13.929 1.00 53.30 H new ATOM 0 HZ2 LYS A 17 1.907 -16.491 13.082 1.00 53.30 H new ATOM 0 HZ3 LYS A 17 1.454 -17.938 12.319 1.00 53.30 H new ATOM 272 N ALA A 18 8.736 -15.621 12.234 1.00 34.33 N ATOM 273 CA ALA A 18 9.642 -16.319 13.160 1.00 2.51 C ATOM 274 C ALA A 18 9.791 -15.551 14.485 1.00 73.04 C ATOM 275 O ALA A 18 9.946 -16.144 15.551 1.00 42.43 O ATOM 276 CB ALA A 18 11.005 -16.525 12.510 1.00 73.42 C ATOM 0 H ALA A 18 9.128 -15.456 11.307 1.00 34.33 H new ATOM 0 HA ALA A 18 9.206 -17.292 13.386 1.00 2.51 H new ATOM 0 HB1 ALA A 18 11.665 -17.042 13.206 1.00 73.42 H new ATOM 0 HB2 ALA A 18 10.890 -17.123 11.606 1.00 73.42 H new ATOM 0 HB3 ALA A 18 11.435 -15.557 12.253 1.00 73.42 H new ATOM 282 N ASP A 19 9.725 -14.226 14.398 1.00 24.05 N ATOM 283 CA ASP A 19 9.795 -13.358 15.571 1.00 64.15 C ATOM 284 C ASP A 19 8.535 -13.471 16.439 1.00 21.41 C ATOM 285 O ASP A 19 8.620 -13.608 17.662 1.00 2.00 O ATOM 286 CB ASP A 19 10.000 -11.919 15.113 1.00 20.40 C ATOM 287 CG ASP A 19 11.402 -11.697 14.588 1.00 70.32 C ATOM 288 OD1 ASP A 19 11.665 -12.033 13.416 1.00 45.12 O ATOM 289 OD2 ASP A 19 12.256 -11.194 15.349 1.00 44.02 O ATOM 0 H ASP A 19 9.622 -13.724 13.516 1.00 24.05 H new ATOM 0 HA ASP A 19 10.637 -13.675 16.187 1.00 64.15 H new ATOM 0 HB2 ASP A 19 9.277 -11.678 14.334 1.00 20.40 H new ATOM 0 HB3 ASP A 19 9.811 -11.241 15.945 1.00 20.40 H new ATOM 294 N ALA A 20 7.365 -13.408 15.802 1.00 2.30 N ATOM 295 CA ALA A 20 6.094 -13.614 16.504 1.00 11.21 C ATOM 296 C ALA A 20 6.088 -14.970 17.225 1.00 24.53 C ATOM 297 O ALA A 20 5.595 -15.096 18.349 1.00 11.04 O ATOM 298 CB ALA A 20 4.933 -13.535 15.522 1.00 34.21 C ATOM 0 H ALA A 20 7.269 -13.217 14.805 1.00 2.30 H new ATOM 0 HA ALA A 20 5.980 -12.827 17.249 1.00 11.21 H new ATOM 0 HB1 ALA A 20 3.995 -13.689 16.055 1.00 34.21 H new ATOM 0 HB2 ALA A 20 4.924 -12.554 15.048 1.00 34.21 H new ATOM 0 HB3 ALA A 20 5.048 -14.305 14.759 1.00 34.21 H new ATOM 304 N LEU A 21 6.649 -15.980 16.562 1.00 23.15 N ATOM 305 CA LEU A 21 6.815 -17.304 17.162 1.00 4.23 C ATOM 306 C LEU A 21 7.765 -17.249 18.363 1.00 31.20 C ATOM 307 O LEU A 21 7.471 -17.807 19.413 1.00 3.13 O ATOM 308 CB LEU A 21 7.346 -18.302 16.122 1.00 25.13 C ATOM 309 CG LEU A 21 6.400 -18.588 14.943 1.00 23.52 C ATOM 310 CD1 LEU A 21 7.044 -19.553 13.949 1.00 3.24 C ATOM 311 CD2 LEU A 21 5.070 -19.139 15.450 1.00 52.13 C ATOM 0 H LEU A 21 6.997 -15.907 15.606 1.00 23.15 H new ATOM 0 HA LEU A 21 5.838 -17.638 17.510 1.00 4.23 H new ATOM 0 HB2 LEU A 21 8.288 -17.923 15.727 1.00 25.13 H new ATOM 0 HB3 LEU A 21 7.567 -19.243 16.626 1.00 25.13 H new ATOM 0 HG LEU A 21 6.208 -17.650 14.422 1.00 23.52 H new ATOM 0 HD11 LEU A 21 6.356 -19.739 13.125 1.00 3.24 H new ATOM 0 HD12 LEU A 21 7.964 -19.116 13.561 1.00 3.24 H new ATOM 0 HD13 LEU A 21 7.272 -20.493 14.451 1.00 3.24 H new ATOM 0 HD21 LEU A 21 4.412 -19.336 14.604 1.00 52.13 H new ATOM 0 HD22 LEU A 21 5.245 -20.065 15.997 1.00 52.13 H new ATOM 0 HD23 LEU A 21 4.602 -18.410 16.111 1.00 52.13 H new ATOM 323 N ALA A 22 8.897 -16.562 18.197 1.00 71.52 N ATOM 324 CA ALA A 22 9.900 -16.432 19.263 1.00 65.21 C ATOM 325 C ALA A 22 9.298 -15.851 20.554 1.00 60.32 C ATOM 326 O ALA A 22 9.542 -16.361 21.649 1.00 51.20 O ATOM 327 CB ALA A 22 11.062 -15.567 18.786 1.00 40.21 C ATOM 0 H ALA A 22 9.145 -16.084 17.331 1.00 71.52 H new ATOM 0 HA ALA A 22 10.265 -17.433 19.496 1.00 65.21 H new ATOM 0 HB1 ALA A 22 11.800 -15.477 19.583 1.00 40.21 H new ATOM 0 HB2 ALA A 22 11.525 -16.028 17.914 1.00 40.21 H new ATOM 0 HB3 ALA A 22 10.693 -14.577 18.520 1.00 40.21 H new ATOM 333 N PHE A 23 8.507 -14.786 20.418 1.00 74.11 N ATOM 334 CA PHE A 23 7.840 -14.165 21.571 1.00 55.12 C ATOM 335 C PHE A 23 6.948 -15.180 22.306 1.00 45.21 C ATOM 336 O PHE A 23 7.111 -15.418 23.507 1.00 41.24 O ATOM 337 CB PHE A 23 7.000 -12.962 21.115 1.00 24.44 C ATOM 338 CG PHE A 23 6.347 -12.202 22.249 1.00 23.02 C ATOM 339 CD1 PHE A 23 5.087 -12.559 22.714 1.00 63.33 C ATOM 340 CD2 PHE A 23 6.995 -11.133 22.849 1.00 61.52 C ATOM 341 CE1 PHE A 23 4.492 -11.865 23.751 1.00 3.25 C ATOM 342 CE2 PHE A 23 6.402 -10.437 23.886 1.00 74.54 C ATOM 343 CZ PHE A 23 5.150 -10.804 24.337 1.00 41.33 C ATOM 0 H PHE A 23 8.311 -14.334 19.525 1.00 74.11 H new ATOM 0 HA PHE A 23 8.610 -13.822 22.262 1.00 55.12 H new ATOM 0 HB2 PHE A 23 7.637 -12.279 20.553 1.00 24.44 H new ATOM 0 HB3 PHE A 23 6.226 -13.311 20.432 1.00 24.44 H new ATOM 0 HD1 PHE A 23 4.566 -13.389 22.260 1.00 63.33 H new ATOM 0 HD2 PHE A 23 7.975 -10.840 22.502 1.00 61.52 H new ATOM 0 HE1 PHE A 23 3.512 -12.154 24.102 1.00 3.25 H new ATOM 0 HE2 PHE A 23 6.918 -9.606 24.343 1.00 74.54 H new ATOM 0 HZ PHE A 23 4.686 -10.261 25.147 1.00 41.33 H new ATOM 353 N MET A 24 6.012 -15.781 21.574 1.00 12.11 N ATOM 354 CA MET A 24 5.101 -16.777 22.148 1.00 0.34 C ATOM 355 C MET A 24 5.846 -18.061 22.559 1.00 51.31 C ATOM 356 O MET A 24 5.377 -18.811 23.409 1.00 1.41 O ATOM 357 CB MET A 24 3.968 -17.091 21.158 1.00 35.23 C ATOM 358 CG MET A 24 2.970 -15.946 21.001 1.00 74.25 C ATOM 359 SD MET A 24 1.642 -16.311 19.833 1.00 10.32 S ATOM 360 CE MET A 24 2.493 -16.148 18.267 1.00 51.21 C ATOM 0 H MET A 24 5.862 -15.598 20.582 1.00 12.11 H new ATOM 0 HA MET A 24 4.668 -16.354 23.054 1.00 0.34 H new ATOM 0 HB2 MET A 24 4.399 -17.324 20.185 1.00 35.23 H new ATOM 0 HB3 MET A 24 3.438 -17.982 21.493 1.00 35.23 H new ATOM 0 HG2 MET A 24 2.536 -15.716 21.974 1.00 74.25 H new ATOM 0 HG3 MET A 24 3.501 -15.053 20.670 1.00 74.25 H new ATOM 0 HE1 MET A 24 1.781 -16.275 17.451 1.00 51.21 H new ATOM 0 HE2 MET A 24 2.947 -15.159 18.201 1.00 51.21 H new ATOM 0 HE3 MET A 24 3.269 -16.910 18.194 1.00 51.21 H new ATOM 370 N LYS A 25 7.012 -18.290 21.962 1.00 1.24 N ATOM 371 CA LYS A 25 7.856 -19.445 22.293 1.00 31.11 C ATOM 372 C LYS A 25 8.433 -19.318 23.712 1.00 71.45 C ATOM 373 O LYS A 25 8.234 -20.192 24.558 1.00 53.22 O ATOM 374 CB LYS A 25 8.997 -19.552 21.265 1.00 52.43 C ATOM 375 CG LYS A 25 9.911 -20.766 21.423 1.00 21.54 C ATOM 376 CD LYS A 25 9.155 -22.080 21.259 1.00 32.05 C ATOM 377 CE LYS A 25 10.098 -23.251 20.995 1.00 72.22 C ATOM 378 NZ LYS A 25 11.201 -23.337 21.990 1.00 54.55 N ATOM 0 H LYS A 25 7.401 -17.686 21.238 1.00 1.24 H new ATOM 0 HA LYS A 25 7.245 -20.347 22.259 1.00 31.11 H new ATOM 0 HB2 LYS A 25 8.562 -19.574 20.266 1.00 52.43 H new ATOM 0 HB3 LYS A 25 9.606 -18.650 21.328 1.00 52.43 H new ATOM 0 HG2 LYS A 25 10.712 -20.715 20.685 1.00 21.54 H new ATOM 0 HG3 LYS A 25 10.381 -20.739 22.406 1.00 21.54 H new ATOM 0 HD2 LYS A 25 8.573 -22.279 22.159 1.00 32.05 H new ATOM 0 HD3 LYS A 25 8.447 -21.991 20.435 1.00 32.05 H new ATOM 0 HE2 LYS A 25 9.529 -24.180 21.009 1.00 72.22 H new ATOM 0 HE3 LYS A 25 10.523 -23.152 19.996 1.00 72.22 H new ATOM 0 HZ1 LYS A 25 11.719 -24.229 21.858 1.00 54.55 H new ATOM 0 HZ2 LYS A 25 11.851 -22.536 21.858 1.00 54.55 H new ATOM 0 HZ3 LYS A 25 10.805 -23.306 22.951 1.00 54.55 H new ATOM 392 N VAL A 26 9.135 -18.215 23.968 1.00 74.01 N ATOM 393 CA VAL A 26 9.770 -17.981 25.271 1.00 23.24 C ATOM 394 C VAL A 26 8.746 -17.981 26.421 1.00 35.41 C ATOM 395 O VAL A 26 8.881 -18.744 27.381 1.00 4.23 O ATOM 396 CB VAL A 26 10.552 -16.641 25.285 1.00 10.43 C ATOM 397 CG1 VAL A 26 11.194 -16.392 26.652 1.00 55.11 C ATOM 398 CG2 VAL A 26 11.609 -16.623 24.180 1.00 64.24 C ATOM 0 H VAL A 26 9.280 -17.466 23.291 1.00 74.01 H new ATOM 0 HA VAL A 26 10.465 -18.806 25.425 1.00 23.24 H new ATOM 0 HB VAL A 26 9.843 -15.835 25.096 1.00 10.43 H new ATOM 0 HG11 VAL A 26 11.735 -15.446 26.633 1.00 55.11 H new ATOM 0 HG12 VAL A 26 10.418 -16.350 27.416 1.00 55.11 H new ATOM 0 HG13 VAL A 26 11.886 -17.202 26.882 1.00 55.11 H new ATOM 0 HG21 VAL A 26 12.147 -15.675 24.206 1.00 64.24 H new ATOM 0 HG22 VAL A 26 12.311 -17.443 24.334 1.00 64.24 H new ATOM 0 HG23 VAL A 26 11.124 -16.738 23.211 1.00 64.24 H new ATOM 408 N MET A 27 7.716 -17.135 26.322 1.00 31.30 N ATOM 409 CA MET A 27 6.738 -17.004 27.411 1.00 74.05 C ATOM 410 C MET A 27 5.949 -18.308 27.637 1.00 71.55 C ATOM 411 O MET A 27 5.601 -18.636 28.768 1.00 54.12 O ATOM 412 CB MET A 27 5.781 -15.824 27.170 1.00 3.40 C ATOM 413 CG MET A 27 4.812 -16.003 26.010 1.00 4.14 C ATOM 414 SD MET A 27 3.694 -14.596 25.849 1.00 61.22 S ATOM 415 CE MET A 27 2.595 -15.154 24.552 1.00 14.42 C ATOM 0 H MET A 27 7.537 -16.539 25.514 1.00 31.30 H new ATOM 0 HA MET A 27 7.305 -16.800 28.319 1.00 74.05 H new ATOM 0 HB2 MET A 27 5.206 -15.652 28.080 1.00 3.40 H new ATOM 0 HB3 MET A 27 6.374 -14.927 26.993 1.00 3.40 H new ATOM 0 HG2 MET A 27 5.373 -16.130 25.084 1.00 4.14 H new ATOM 0 HG3 MET A 27 4.232 -16.914 26.158 1.00 4.14 H new ATOM 0 HE1 MET A 27 2.677 -14.487 23.694 1.00 14.42 H new ATOM 0 HE2 MET A 27 2.869 -16.166 24.253 1.00 14.42 H new ATOM 0 HE3 MET A 27 1.568 -15.150 24.918 1.00 14.42 H new ATOM 425 N LEU A 28 5.685 -19.058 26.567 1.00 21.55 N ATOM 426 CA LEU A 28 5.001 -20.352 26.687 1.00 32.45 C ATOM 427 C LEU A 28 5.803 -21.317 27.578 1.00 43.21 C ATOM 428 O LEU A 28 5.270 -21.907 28.517 1.00 31.35 O ATOM 429 CB LEU A 28 4.795 -20.965 25.298 1.00 52.40 C ATOM 430 CG LEU A 28 4.008 -22.281 25.256 1.00 33.21 C ATOM 431 CD1 LEU A 28 2.593 -22.084 25.795 1.00 30.24 C ATOM 432 CD2 LEU A 28 3.973 -22.832 23.834 1.00 54.22 C ATOM 0 H LEU A 28 5.931 -18.797 25.612 1.00 21.55 H new ATOM 0 HA LEU A 28 4.030 -20.186 27.153 1.00 32.45 H new ATOM 0 HB2 LEU A 28 4.279 -20.236 24.673 1.00 52.40 H new ATOM 0 HB3 LEU A 28 5.773 -21.135 24.848 1.00 52.40 H new ATOM 0 HG LEU A 28 4.513 -23.005 25.895 1.00 33.21 H new ATOM 0 HD11 LEU A 28 2.054 -23.030 25.756 1.00 30.24 H new ATOM 0 HD12 LEU A 28 2.642 -21.737 26.827 1.00 30.24 H new ATOM 0 HD13 LEU A 28 2.072 -21.344 25.188 1.00 30.24 H new ATOM 0 HD21 LEU A 28 3.411 -23.766 23.819 1.00 54.22 H new ATOM 0 HD22 LEU A 28 3.492 -22.109 23.175 1.00 54.22 H new ATOM 0 HD23 LEU A 28 4.991 -23.015 23.490 1.00 54.22 H new ATOM 444 N ASN A 29 7.095 -21.447 27.281 1.00 54.11 N ATOM 445 CA ASN A 29 7.998 -22.306 28.061 1.00 13.22 C ATOM 446 C ASN A 29 8.303 -21.715 29.450 1.00 31.45 C ATOM 447 O ASN A 29 8.802 -22.412 30.335 1.00 30.15 O ATOM 448 CB ASN A 29 9.297 -22.544 27.280 1.00 42.30 C ATOM 449 CG ASN A 29 9.082 -23.462 26.089 1.00 33.43 C ATOM 450 OD1 ASN A 29 9.214 -24.677 26.194 1.00 52.01 O ATOM 451 ND2 ASN A 29 8.750 -22.896 24.947 1.00 64.11 N ATOM 0 H ASN A 29 7.546 -20.967 26.502 1.00 54.11 H new ATOM 0 HA ASN A 29 7.493 -23.259 28.222 1.00 13.22 H new ATOM 0 HB2 ASN A 29 9.693 -21.589 26.935 1.00 42.30 H new ATOM 0 HB3 ASN A 29 10.045 -22.979 27.943 1.00 42.30 H new ATOM 0 HD21 ASN A 29 8.595 -23.471 24.119 1.00 64.11 H new ATOM 0 HD22 ASN A 29 8.648 -21.883 24.891 1.00 64.11 H new ATOM 458 N ARG A 30 8.017 -20.426 29.627 1.00 10.43 N ATOM 459 CA ARG A 30 8.144 -19.772 30.935 1.00 71.24 C ATOM 460 C ARG A 30 7.098 -20.311 31.927 1.00 75.40 C ATOM 461 O ARG A 30 7.393 -20.538 33.106 1.00 45.33 O ATOM 462 CB ARG A 30 7.985 -18.251 30.780 1.00 62.31 C ATOM 463 CG ARG A 30 7.982 -17.486 32.099 1.00 52.44 C ATOM 464 CD ARG A 30 7.748 -15.992 31.895 1.00 45.31 C ATOM 465 NE ARG A 30 7.714 -15.265 33.164 1.00 75.14 N ATOM 466 CZ ARG A 30 7.292 -14.033 33.300 1.00 32.41 C ATOM 467 NH1 ARG A 30 6.855 -13.360 32.281 1.00 55.11 N ATOM 468 NH2 ARG A 30 7.310 -13.471 34.466 1.00 34.14 N ATOM 0 H ARG A 30 7.695 -19.810 28.881 1.00 10.43 H new ATOM 0 HA ARG A 30 9.135 -19.993 31.331 1.00 71.24 H new ATOM 0 HB2 ARG A 30 8.795 -17.874 30.156 1.00 62.31 H new ATOM 0 HB3 ARG A 30 7.054 -18.046 30.252 1.00 62.31 H new ATOM 0 HG2 ARG A 30 7.206 -17.889 32.749 1.00 52.44 H new ATOM 0 HG3 ARG A 30 8.934 -17.637 32.608 1.00 52.44 H new ATOM 0 HD2 ARG A 30 8.538 -15.584 31.264 1.00 45.31 H new ATOM 0 HD3 ARG A 30 6.807 -15.841 31.365 1.00 45.31 H new ATOM 0 HE ARG A 30 8.041 -15.751 33.999 1.00 75.14 H new ATOM 0 HH11 ARG A 30 6.836 -13.790 31.356 1.00 55.11 H new ATOM 0 HH12 ARG A 30 6.530 -12.401 32.405 1.00 55.11 H new ATOM 0 HH21 ARG A 30 7.652 -13.988 35.276 1.00 34.14 H new ATOM 0 HH22 ARG A 30 6.982 -12.511 34.575 1.00 34.14 H new ATOM 482 N TYR A 31 5.873 -20.512 31.442 1.00 34.52 N ATOM 483 CA TYR A 31 4.775 -21.011 32.281 1.00 54.34 C ATOM 484 C TYR A 31 4.695 -22.549 32.260 1.00 60.11 C ATOM 485 O TYR A 31 5.178 -23.207 31.333 1.00 1.23 O ATOM 486 CB TYR A 31 3.437 -20.405 31.830 1.00 43.05 C ATOM 487 CG TYR A 31 3.399 -18.885 31.896 1.00 50.31 C ATOM 488 CD1 TYR A 31 3.145 -18.223 33.094 1.00 72.43 C ATOM 489 CD2 TYR A 31 3.629 -18.115 30.762 1.00 21.25 C ATOM 490 CE1 TYR A 31 3.127 -16.842 33.156 1.00 52.44 C ATOM 491 CE2 TYR A 31 3.610 -16.735 30.817 1.00 65.21 C ATOM 492 CZ TYR A 31 3.359 -16.104 32.015 1.00 61.23 C ATOM 493 OH TYR A 31 3.355 -14.729 32.073 1.00 74.13 O ATOM 0 H TYR A 31 5.612 -20.338 30.471 1.00 34.52 H new ATOM 0 HA TYR A 31 4.980 -20.702 33.306 1.00 54.34 H new ATOM 0 HB2 TYR A 31 3.232 -20.720 30.807 1.00 43.05 H new ATOM 0 HB3 TYR A 31 2.638 -20.807 32.453 1.00 43.05 H new ATOM 0 HD1 TYR A 31 2.959 -18.798 33.989 1.00 72.43 H new ATOM 0 HD2 TYR A 31 3.826 -18.605 29.820 1.00 21.25 H new ATOM 0 HE1 TYR A 31 2.932 -16.344 34.094 1.00 52.44 H new ATOM 0 HE2 TYR A 31 3.791 -16.154 29.925 1.00 65.21 H new ATOM 0 HH TYR A 31 3.376 -14.363 31.164 1.00 74.13 H new ATOM 503 N ARG A 32 4.073 -23.111 33.292 1.00 3.52 N ATOM 504 CA ARG A 32 3.964 -24.567 33.454 1.00 70.43 C ATOM 505 C ARG A 32 2.534 -25.038 33.154 1.00 62.35 C ATOM 506 O ARG A 32 1.608 -24.229 33.153 1.00 11.12 O ATOM 507 CB ARG A 32 4.353 -24.935 34.895 1.00 41.03 C ATOM 508 CG ARG A 32 5.624 -24.233 35.370 1.00 14.31 C ATOM 509 CD ARG A 32 5.765 -24.259 36.888 1.00 62.11 C ATOM 510 NE ARG A 32 6.805 -23.340 37.348 1.00 13.14 N ATOM 511 CZ ARG A 32 6.594 -22.090 37.673 1.00 74.30 C ATOM 512 NH1 ARG A 32 5.412 -21.561 37.557 1.00 13.43 N ATOM 513 NH2 ARG A 32 7.577 -21.360 38.091 1.00 62.33 N ATOM 0 H ARG A 32 3.630 -22.577 34.040 1.00 3.52 H new ATOM 0 HA ARG A 32 4.635 -25.061 32.752 1.00 70.43 H new ATOM 0 HB2 ARG A 32 3.531 -24.678 35.564 1.00 41.03 H new ATOM 0 HB3 ARG A 32 4.494 -26.014 34.963 1.00 41.03 H new ATOM 0 HG2 ARG A 32 6.492 -24.713 34.918 1.00 14.31 H new ATOM 0 HG3 ARG A 32 5.616 -23.199 35.025 1.00 14.31 H new ATOM 0 HD2 ARG A 32 4.813 -23.991 37.347 1.00 62.11 H new ATOM 0 HD3 ARG A 32 6.003 -25.271 37.215 1.00 62.11 H new ATOM 0 HE ARG A 32 7.758 -23.697 37.420 1.00 13.14 H new ATOM 0 HH11 ARG A 32 4.634 -22.122 37.209 1.00 13.43 H new ATOM 0 HH12 ARG A 32 5.262 -20.585 37.814 1.00 13.43 H new ATOM 0 HH21 ARG A 32 8.513 -21.759 38.166 1.00 62.33 H new ATOM 0 HH22 ARG A 32 7.416 -20.385 38.345 1.00 62.33 H new ATOM 527 N PRO A 33 2.335 -26.346 32.871 1.00 41.50 N ATOM 528 CA PRO A 33 0.991 -26.917 32.649 1.00 41.15 C ATOM 529 C PRO A 33 0.049 -26.690 33.842 1.00 22.14 C ATOM 530 O PRO A 33 -0.205 -27.587 34.651 1.00 72.54 O ATOM 531 CB PRO A 33 1.255 -28.412 32.436 1.00 24.12 C ATOM 532 CG PRO A 33 2.683 -28.490 32.020 1.00 41.53 C ATOM 533 CD PRO A 33 3.391 -27.360 32.717 1.00 1.43 C ATOM 0 HA PRO A 33 0.488 -26.445 31.805 1.00 41.15 H new ATOM 0 HB2 PRO A 33 1.077 -28.979 33.350 1.00 24.12 H new ATOM 0 HB3 PRO A 33 0.597 -28.825 31.671 1.00 24.12 H new ATOM 0 HG2 PRO A 33 3.117 -29.450 32.298 1.00 41.53 H new ATOM 0 HG3 PRO A 33 2.778 -28.399 30.938 1.00 41.53 H new ATOM 0 HD2 PRO A 33 3.794 -27.671 33.681 1.00 1.43 H new ATOM 0 HD3 PRO A 33 4.227 -26.984 32.128 1.00 1.43 H new ATOM 541 N GLY A 34 -0.434 -25.468 33.945 1.00 13.45 N ATOM 542 CA GLY A 34 -1.326 -25.083 35.033 1.00 70.12 C ATOM 543 C GLY A 34 -1.323 -23.579 35.301 1.00 61.05 C ATOM 544 O GLY A 34 -2.309 -23.031 35.798 1.00 5.21 O ATOM 0 H GLY A 34 -0.225 -24.717 33.287 1.00 13.45 H new ATOM 0 HA2 GLY A 34 -2.341 -25.402 34.794 1.00 70.12 H new ATOM 0 HA3 GLY A 34 -1.031 -25.609 35.941 1.00 70.12 H new ATOM 548 N ASP A 35 -0.212 -22.908 34.980 1.00 11.42 N ATOM 549 CA ASP A 35 -0.103 -21.454 35.163 1.00 74.34 C ATOM 550 C ASP A 35 -1.037 -20.676 34.218 1.00 33.40 C ATOM 551 O ASP A 35 -1.160 -20.996 33.032 1.00 52.11 O ATOM 552 CB ASP A 35 1.340 -20.973 34.941 1.00 13.23 C ATOM 553 CG ASP A 35 2.270 -21.299 36.098 1.00 45.01 C ATOM 554 OD1 ASP A 35 2.160 -20.648 37.157 1.00 34.33 O ATOM 555 OD2 ASP A 35 3.123 -22.190 35.952 1.00 11.22 O ATOM 0 H ASP A 35 0.624 -23.346 34.593 1.00 11.42 H new ATOM 0 HA ASP A 35 -0.404 -21.254 36.192 1.00 74.34 H new ATOM 0 HB2 ASP A 35 1.731 -21.428 34.031 1.00 13.23 H new ATOM 0 HB3 ASP A 35 1.335 -19.895 34.781 1.00 13.23 H new ATOM 560 N ILE A 36 -1.690 -19.651 34.760 1.00 71.22 N ATOM 561 CA ILE A 36 -2.486 -18.725 33.954 1.00 24.40 C ATOM 562 C ILE A 36 -1.582 -17.650 33.325 1.00 43.23 C ATOM 563 O ILE A 36 -0.651 -17.159 33.965 1.00 34.01 O ATOM 564 CB ILE A 36 -3.589 -18.040 34.808 1.00 24.21 C ATOM 565 CG1 ILE A 36 -4.536 -19.092 35.417 1.00 4.44 C ATOM 566 CG2 ILE A 36 -4.379 -17.026 33.976 1.00 22.41 C ATOM 567 CD1 ILE A 36 -5.281 -19.922 34.390 1.00 62.01 C ATOM 0 H ILE A 36 -1.684 -19.439 35.758 1.00 71.22 H new ATOM 0 HA ILE A 36 -2.967 -19.303 33.165 1.00 24.40 H new ATOM 0 HB ILE A 36 -3.099 -17.503 35.620 1.00 24.21 H new ATOM 0 HG12 ILE A 36 -3.958 -19.759 36.057 1.00 4.44 H new ATOM 0 HG13 ILE A 36 -5.261 -18.587 36.055 1.00 4.44 H new ATOM 0 HG21 ILE A 36 -5.144 -16.562 34.598 1.00 22.41 H new ATOM 0 HG22 ILE A 36 -3.703 -16.259 33.600 1.00 22.41 H new ATOM 0 HG23 ILE A 36 -4.853 -17.535 33.137 1.00 22.41 H new ATOM 0 HD11 ILE A 36 -5.926 -20.638 34.899 1.00 62.01 H new ATOM 0 HD12 ILE A 36 -5.888 -19.268 33.765 1.00 62.01 H new ATOM 0 HD13 ILE A 36 -4.565 -20.458 33.767 1.00 62.01 H new ATOM 579 N VAL A 37 -1.858 -17.298 32.075 1.00 10.43 N ATOM 580 CA VAL A 37 -1.076 -16.284 31.361 1.00 31.24 C ATOM 581 C VAL A 37 -1.238 -14.892 32.008 1.00 21.22 C ATOM 582 O VAL A 37 -2.317 -14.545 32.490 1.00 12.14 O ATOM 583 CB VAL A 37 -1.489 -16.227 29.869 1.00 70.22 C ATOM 584 CG1 VAL A 37 -0.669 -15.189 29.112 1.00 0.20 C ATOM 585 CG2 VAL A 37 -1.345 -17.605 29.224 1.00 32.10 C ATOM 0 H VAL A 37 -2.620 -17.699 31.529 1.00 10.43 H new ATOM 0 HA VAL A 37 -0.026 -16.570 31.427 1.00 31.24 H new ATOM 0 HB VAL A 37 -2.536 -15.927 29.817 1.00 70.22 H new ATOM 0 HG11 VAL A 37 -0.980 -15.171 28.068 1.00 0.20 H new ATOM 0 HG12 VAL A 37 -0.828 -14.206 29.555 1.00 0.20 H new ATOM 0 HG13 VAL A 37 0.388 -15.447 29.171 1.00 0.20 H new ATOM 0 HG21 VAL A 37 -1.639 -17.549 28.176 1.00 32.10 H new ATOM 0 HG22 VAL A 37 -0.308 -17.932 29.293 1.00 32.10 H new ATOM 0 HG23 VAL A 37 -1.986 -18.318 29.743 1.00 32.10 H new ATOM 595 N SER A 38 -0.158 -14.106 32.011 1.00 10.53 N ATOM 596 CA SER A 38 -0.148 -12.793 32.684 1.00 34.31 C ATOM 597 C SER A 38 -1.116 -11.795 32.034 1.00 44.45 C ATOM 598 O SER A 38 -1.587 -11.996 30.913 1.00 12.23 O ATOM 599 CB SER A 38 1.262 -12.182 32.669 1.00 23.15 C ATOM 600 OG SER A 38 1.602 -11.694 31.377 1.00 71.11 O ATOM 0 H SER A 38 0.722 -14.351 31.557 1.00 10.53 H new ATOM 0 HA SER A 38 -0.471 -12.975 33.709 1.00 34.31 H new ATOM 0 HB2 SER A 38 1.315 -11.369 33.393 1.00 23.15 H new ATOM 0 HB3 SER A 38 1.989 -12.933 32.979 1.00 23.15 H new ATOM 0 HG SER A 38 2.259 -12.292 30.964 1.00 71.11 H new ATOM 606 N THR A 39 -1.391 -10.701 32.746 1.00 15.22 N ATOM 607 CA THR A 39 -2.236 -9.618 32.221 1.00 11.41 C ATOM 608 C THR A 39 -1.626 -8.997 30.951 1.00 71.34 C ATOM 609 O THR A 39 -2.338 -8.478 30.087 1.00 74.45 O ATOM 610 CB THR A 39 -2.436 -8.501 33.280 1.00 71.03 C ATOM 611 OG1 THR A 39 -2.910 -9.067 34.512 1.00 52.13 O ATOM 612 CG2 THR A 39 -3.428 -7.447 32.794 1.00 74.31 C ATOM 0 H THR A 39 -1.042 -10.538 33.690 1.00 15.22 H new ATOM 0 HA THR A 39 -3.201 -10.061 31.975 1.00 11.41 H new ATOM 0 HB THR A 39 -1.471 -8.021 33.442 1.00 71.03 H new ATOM 0 HG1 THR A 39 -3.031 -8.355 35.174 1.00 52.13 H new ATOM 0 HG21 THR A 39 -3.546 -6.679 33.558 1.00 74.31 H new ATOM 0 HG22 THR A 39 -3.055 -6.992 31.877 1.00 74.31 H new ATOM 0 HG23 THR A 39 -4.392 -7.917 32.600 1.00 74.31 H new ATOM 620 N VAL A 40 -0.301 -9.061 30.844 1.00 44.13 N ATOM 621 CA VAL A 40 0.417 -8.514 29.687 1.00 62.10 C ATOM 622 C VAL A 40 0.356 -9.472 28.487 1.00 22.31 C ATOM 623 O VAL A 40 -0.166 -9.124 27.425 1.00 13.20 O ATOM 624 CB VAL A 40 1.900 -8.225 30.035 1.00 10.04 C ATOM 625 CG1 VAL A 40 2.639 -7.624 28.837 1.00 40.32 C ATOM 626 CG2 VAL A 40 1.996 -7.310 31.254 1.00 1.22 C ATOM 0 H VAL A 40 0.303 -9.488 31.546 1.00 44.13 H new ATOM 0 HA VAL A 40 -0.076 -7.580 29.419 1.00 62.10 H new ATOM 0 HB VAL A 40 2.383 -9.171 30.280 1.00 10.04 H new ATOM 0 HG11 VAL A 40 3.677 -7.431 29.109 1.00 40.32 H new ATOM 0 HG12 VAL A 40 2.607 -8.323 28.001 1.00 40.32 H new ATOM 0 HG13 VAL A 40 2.160 -6.689 28.546 1.00 40.32 H new ATOM 0 HG21 VAL A 40 3.044 -7.118 31.483 1.00 1.22 H new ATOM 0 HG22 VAL A 40 1.493 -6.367 31.042 1.00 1.22 H new ATOM 0 HG23 VAL A 40 1.520 -7.791 32.108 1.00 1.22 H new ATOM 636 N ASP A 41 0.875 -10.687 28.672 1.00 74.14 N ATOM 637 CA ASP A 41 0.908 -11.690 27.599 1.00 0.20 C ATOM 638 C ASP A 41 -0.513 -12.082 27.159 1.00 51.13 C ATOM 639 O ASP A 41 -0.754 -12.389 25.989 1.00 73.53 O ATOM 640 CB ASP A 41 1.677 -12.934 28.057 1.00 75.13 C ATOM 641 CG ASP A 41 3.047 -12.601 28.618 1.00 44.00 C ATOM 642 OD1 ASP A 41 3.799 -11.852 27.965 1.00 23.22 O ATOM 643 OD2 ASP A 41 3.372 -13.073 29.734 1.00 45.11 O ATOM 0 H ASP A 41 1.279 -11.003 29.554 1.00 74.14 H new ATOM 0 HA ASP A 41 1.419 -11.248 26.744 1.00 0.20 H new ATOM 0 HB2 ASP A 41 1.095 -13.457 28.816 1.00 75.13 H new ATOM 0 HB3 ASP A 41 1.790 -13.617 27.215 1.00 75.13 H new ATOM 648 N GLY A 42 -1.450 -12.064 28.109 1.00 31.05 N ATOM 649 CA GLY A 42 -2.849 -12.338 27.801 1.00 31.33 C ATOM 650 C GLY A 42 -3.414 -11.387 26.751 1.00 75.53 C ATOM 651 O GLY A 42 -4.041 -11.820 25.784 1.00 5.32 O ATOM 0 H GLY A 42 -1.264 -11.863 29.092 1.00 31.05 H new ATOM 0 HA2 GLY A 42 -2.945 -13.364 27.446 1.00 31.33 H new ATOM 0 HA3 GLY A 42 -3.440 -12.259 28.713 1.00 31.33 H new ATOM 655 N ALA A 43 -3.173 -10.086 26.937 1.00 15.13 N ATOM 656 CA ALA A 43 -3.621 -9.064 25.982 1.00 4.34 C ATOM 657 C ALA A 43 -3.017 -9.301 24.588 1.00 41.12 C ATOM 658 O ALA A 43 -3.662 -9.061 23.564 1.00 11.05 O ATOM 659 CB ALA A 43 -3.263 -7.670 26.492 1.00 55.50 C ATOM 0 H ALA A 43 -2.669 -9.713 27.742 1.00 15.13 H new ATOM 0 HA ALA A 43 -4.705 -9.137 25.892 1.00 4.34 H new ATOM 0 HB1 ALA A 43 -3.601 -6.922 25.774 1.00 55.50 H new ATOM 0 HB2 ALA A 43 -3.750 -7.498 27.452 1.00 55.50 H new ATOM 0 HB3 ALA A 43 -2.183 -7.594 26.614 1.00 55.50 H new ATOM 665 N PHE A 44 -1.774 -9.781 24.566 1.00 20.14 N ATOM 666 CA PHE A 44 -1.100 -10.152 23.318 1.00 3.42 C ATOM 667 C PHE A 44 -1.869 -11.283 22.608 1.00 74.04 C ATOM 668 O PHE A 44 -2.141 -11.215 21.405 1.00 60.30 O ATOM 669 CB PHE A 44 0.343 -10.591 23.630 1.00 14.13 C ATOM 670 CG PHE A 44 1.191 -10.891 22.415 1.00 24.23 C ATOM 671 CD1 PHE A 44 1.155 -12.142 21.811 1.00 10.15 C ATOM 672 CD2 PHE A 44 2.031 -9.922 21.884 1.00 63.41 C ATOM 673 CE1 PHE A 44 1.936 -12.418 20.705 1.00 12.53 C ATOM 674 CE2 PHE A 44 2.813 -10.195 20.777 1.00 25.13 C ATOM 675 CZ PHE A 44 2.765 -11.443 20.187 1.00 72.42 C ATOM 0 H PHE A 44 -1.209 -9.923 25.403 1.00 20.14 H new ATOM 0 HA PHE A 44 -1.075 -9.290 22.651 1.00 3.42 H new ATOM 0 HB2 PHE A 44 0.829 -9.807 24.210 1.00 14.13 H new ATOM 0 HB3 PHE A 44 0.309 -11.479 24.261 1.00 14.13 H new ATOM 0 HD1 PHE A 44 0.508 -12.909 22.211 1.00 10.15 H new ATOM 0 HD2 PHE A 44 2.074 -8.944 22.341 1.00 63.41 H new ATOM 0 HE1 PHE A 44 1.898 -13.395 20.246 1.00 12.53 H new ATOM 0 HE2 PHE A 44 3.462 -9.432 20.373 1.00 25.13 H new ATOM 0 HZ PHE A 44 3.375 -11.656 19.322 1.00 72.42 H new ATOM 685 N LEU A 45 -2.229 -12.311 23.374 1.00 52.21 N ATOM 686 CA LEU A 45 -2.985 -13.456 22.851 1.00 41.44 C ATOM 687 C LEU A 45 -4.373 -13.038 22.332 1.00 71.44 C ATOM 688 O LEU A 45 -4.844 -13.549 21.315 1.00 70.25 O ATOM 689 CB LEU A 45 -3.130 -14.524 23.940 1.00 1.23 C ATOM 690 CG LEU A 45 -1.814 -15.179 24.390 1.00 33.33 C ATOM 691 CD1 LEU A 45 -2.051 -16.097 25.585 1.00 33.43 C ATOM 692 CD2 LEU A 45 -1.175 -15.948 23.234 1.00 72.31 C ATOM 0 H LEU A 45 -2.009 -12.378 24.368 1.00 52.21 H new ATOM 0 HA LEU A 45 -2.429 -13.865 22.008 1.00 41.44 H new ATOM 0 HB2 LEU A 45 -3.609 -14.072 24.809 1.00 1.23 H new ATOM 0 HB3 LEU A 45 -3.800 -15.303 23.576 1.00 1.23 H new ATOM 0 HG LEU A 45 -1.126 -14.392 24.698 1.00 33.33 H new ATOM 0 HD11 LEU A 45 -1.107 -16.551 25.888 1.00 33.43 H new ATOM 0 HD12 LEU A 45 -2.458 -15.518 26.414 1.00 33.43 H new ATOM 0 HD13 LEU A 45 -2.757 -16.880 25.308 1.00 33.43 H new ATOM 0 HD21 LEU A 45 -0.245 -16.405 23.571 1.00 72.31 H new ATOM 0 HD22 LEU A 45 -1.858 -16.726 22.893 1.00 72.31 H new ATOM 0 HD23 LEU A 45 -0.966 -15.263 22.413 1.00 72.31 H new ATOM 704 N VAL A 46 -5.025 -12.108 23.034 1.00 0.42 N ATOM 705 CA VAL A 46 -6.342 -11.608 22.614 1.00 52.44 C ATOM 706 C VAL A 46 -6.273 -10.988 21.206 1.00 65.11 C ATOM 707 O VAL A 46 -7.090 -11.301 20.336 1.00 34.42 O ATOM 708 CB VAL A 46 -6.908 -10.562 23.612 1.00 71.05 C ATOM 709 CG1 VAL A 46 -8.279 -10.071 23.156 1.00 34.52 C ATOM 710 CG2 VAL A 46 -6.994 -11.142 25.025 1.00 73.11 C ATOM 0 H VAL A 46 -4.668 -11.686 23.891 1.00 0.42 H new ATOM 0 HA VAL A 46 -7.014 -12.466 22.597 1.00 52.44 H new ATOM 0 HB VAL A 46 -6.224 -9.714 23.633 1.00 71.05 H new ATOM 0 HG11 VAL A 46 -8.659 -9.339 23.869 1.00 34.52 H new ATOM 0 HG12 VAL A 46 -8.191 -9.609 22.173 1.00 34.52 H new ATOM 0 HG13 VAL A 46 -8.968 -10.914 23.101 1.00 34.52 H new ATOM 0 HG21 VAL A 46 -7.394 -10.389 25.704 1.00 73.11 H new ATOM 0 HG22 VAL A 46 -7.650 -12.012 25.022 1.00 73.11 H new ATOM 0 HG23 VAL A 46 -5.999 -11.439 25.358 1.00 73.11 H new ATOM 720 N GLU A 47 -5.287 -10.118 20.986 1.00 63.31 N ATOM 721 CA GLU A 47 -5.060 -9.517 19.663 1.00 20.02 C ATOM 722 C GLU A 47 -4.746 -10.592 18.605 1.00 72.12 C ATOM 723 O GLU A 47 -5.223 -10.524 17.469 1.00 13.34 O ATOM 724 CB GLU A 47 -3.911 -8.496 19.728 1.00 74.44 C ATOM 725 CG GLU A 47 -4.230 -7.233 20.525 1.00 61.52 C ATOM 726 CD GLU A 47 -5.304 -6.377 19.867 1.00 33.24 C ATOM 727 OE1 GLU A 47 -5.071 -5.889 18.739 1.00 51.50 O ATOM 728 OE2 GLU A 47 -6.384 -6.186 20.466 1.00 3.01 O ATOM 0 H GLU A 47 -4.631 -9.811 21.704 1.00 63.31 H new ATOM 0 HA GLU A 47 -5.977 -9.007 19.369 1.00 20.02 H new ATOM 0 HB2 GLU A 47 -3.038 -8.978 20.169 1.00 74.44 H new ATOM 0 HB3 GLU A 47 -3.638 -8.210 18.712 1.00 74.44 H new ATOM 0 HG2 GLU A 47 -4.558 -7.513 21.526 1.00 61.52 H new ATOM 0 HG3 GLU A 47 -3.321 -6.642 20.641 1.00 61.52 H new ATOM 735 N ALA A 48 -3.939 -11.585 18.988 1.00 14.00 N ATOM 736 CA ALA A 48 -3.605 -12.707 18.100 1.00 21.54 C ATOM 737 C ALA A 48 -4.847 -13.559 17.772 1.00 20.42 C ATOM 738 O ALA A 48 -4.909 -14.217 16.727 1.00 11.12 O ATOM 739 CB ALA A 48 -2.511 -13.571 18.729 1.00 2.40 C ATOM 0 H ALA A 48 -3.503 -11.637 19.909 1.00 14.00 H new ATOM 0 HA ALA A 48 -3.234 -12.293 17.162 1.00 21.54 H new ATOM 0 HB1 ALA A 48 -2.272 -14.399 18.061 1.00 2.40 H new ATOM 0 HB2 ALA A 48 -1.618 -12.967 18.891 1.00 2.40 H new ATOM 0 HB3 ALA A 48 -2.861 -13.964 19.683 1.00 2.40 H new ATOM 745 N LEU A 49 -5.829 -13.544 18.673 1.00 73.10 N ATOM 746 CA LEU A 49 -7.099 -14.248 18.461 1.00 2.54 C ATOM 747 C LEU A 49 -8.018 -13.476 17.494 1.00 63.33 C ATOM 748 O LEU A 49 -8.609 -14.063 16.585 1.00 74.13 O ATOM 749 CB LEU A 49 -7.816 -14.467 19.804 1.00 54.30 C ATOM 750 CG LEU A 49 -9.222 -15.096 19.712 1.00 51.51 C ATOM 751 CD1 LEU A 49 -9.171 -16.457 19.020 1.00 14.44 C ATOM 752 CD2 LEU A 49 -9.852 -15.216 21.100 1.00 41.01 C ATOM 0 H LEU A 49 -5.771 -13.049 19.563 1.00 73.10 H new ATOM 0 HA LEU A 49 -6.872 -15.214 18.011 1.00 2.54 H new ATOM 0 HB2 LEU A 49 -7.192 -15.105 20.429 1.00 54.30 H new ATOM 0 HB3 LEU A 49 -7.899 -13.506 20.312 1.00 54.30 H new ATOM 0 HG LEU A 49 -9.847 -14.437 19.109 1.00 51.51 H new ATOM 0 HD11 LEU A 49 -10.175 -16.877 18.969 1.00 14.44 H new ATOM 0 HD12 LEU A 49 -8.776 -16.338 18.011 1.00 14.44 H new ATOM 0 HD13 LEU A 49 -8.525 -17.129 19.585 1.00 14.44 H new ATOM 0 HD21 LEU A 49 -10.843 -15.662 21.013 1.00 41.01 H new ATOM 0 HD22 LEU A 49 -9.225 -15.846 21.731 1.00 41.01 H new ATOM 0 HD23 LEU A 49 -9.938 -14.226 21.547 1.00 41.01 H new ATOM 764 N LYS A 50 -8.106 -12.154 17.680 1.00 51.34 N ATOM 765 CA LYS A 50 -9.002 -11.293 16.878 1.00 54.24 C ATOM 766 C LYS A 50 -8.765 -11.421 15.361 1.00 63.31 C ATOM 767 O LYS A 50 -9.620 -11.047 14.557 1.00 12.41 O ATOM 768 CB LYS A 50 -8.825 -9.823 17.284 1.00 2.22 C ATOM 769 CG LYS A 50 -9.243 -9.511 18.717 1.00 22.02 C ATOM 770 CD LYS A 50 -9.024 -8.039 19.054 1.00 44.54 C ATOM 771 CE LYS A 50 -9.444 -7.714 20.479 1.00 51.11 C ATOM 772 NZ LYS A 50 -9.159 -6.301 20.830 1.00 43.40 N ATOM 0 H LYS A 50 -7.566 -11.648 18.382 1.00 51.34 H new ATOM 0 HA LYS A 50 -10.017 -11.632 17.084 1.00 54.24 H new ATOM 0 HB2 LYS A 50 -7.779 -9.547 17.155 1.00 2.22 H new ATOM 0 HB3 LYS A 50 -9.406 -9.199 16.605 1.00 2.22 H new ATOM 0 HG2 LYS A 50 -10.294 -9.765 18.854 1.00 22.02 H new ATOM 0 HG3 LYS A 50 -8.673 -10.132 19.407 1.00 22.02 H new ATOM 0 HD2 LYS A 50 -7.972 -7.789 18.920 1.00 44.54 H new ATOM 0 HD3 LYS A 50 -9.590 -7.419 18.359 1.00 44.54 H new ATOM 0 HE2 LYS A 50 -10.510 -7.910 20.597 1.00 51.11 H new ATOM 0 HE3 LYS A 50 -8.920 -8.373 21.171 1.00 51.11 H new ATOM 0 HZ1 LYS A 50 -9.412 -6.132 21.824 1.00 43.40 H new ATOM 0 HZ2 LYS A 50 -8.147 -6.107 20.693 1.00 43.40 H new ATOM 0 HZ3 LYS A 50 -9.718 -5.672 20.219 1.00 43.40 H new ATOM 786 N ARG A 51 -7.603 -11.938 14.973 1.00 63.32 N ATOM 787 CA ARG A 51 -7.233 -12.049 13.553 1.00 20.34 C ATOM 788 C ARG A 51 -7.724 -13.362 12.922 1.00 21.51 C ATOM 789 O ARG A 51 -7.249 -13.773 11.864 1.00 5.33 O ATOM 790 CB ARG A 51 -5.716 -11.928 13.421 1.00 42.21 C ATOM 791 CG ARG A 51 -5.180 -10.649 14.045 1.00 54.50 C ATOM 792 CD ARG A 51 -3.667 -10.567 13.974 1.00 70.11 C ATOM 793 NE ARG A 51 -3.178 -9.346 14.598 1.00 34.23 N ATOM 794 CZ ARG A 51 -1.963 -8.898 14.491 1.00 45.41 C ATOM 795 NH1 ARG A 51 -1.071 -9.540 13.801 1.00 71.10 N ATOM 796 NH2 ARG A 51 -1.643 -7.804 15.082 1.00 41.42 N ATOM 0 H ARG A 51 -6.896 -12.289 15.618 1.00 63.32 H new ATOM 0 HA ARG A 51 -7.722 -11.239 13.011 1.00 20.34 H new ATOM 0 HB2 ARG A 51 -5.243 -12.787 13.897 1.00 42.21 H new ATOM 0 HB3 ARG A 51 -5.442 -11.957 12.366 1.00 42.21 H new ATOM 0 HG2 ARG A 51 -5.613 -9.789 13.535 1.00 54.50 H new ATOM 0 HG3 ARG A 51 -5.497 -10.595 15.087 1.00 54.50 H new ATOM 0 HD2 ARG A 51 -3.229 -11.433 14.470 1.00 70.11 H new ATOM 0 HD3 ARG A 51 -3.346 -10.600 12.933 1.00 70.11 H new ATOM 0 HE ARG A 51 -3.835 -8.804 15.159 1.00 34.23 H new ATOM 0 HH11 ARG A 51 -1.319 -10.411 13.332 1.00 71.10 H new ATOM 0 HH12 ARG A 51 -0.122 -9.174 13.728 1.00 71.10 H new ATOM 0 HH21 ARG A 51 -2.339 -7.297 15.628 1.00 41.42 H new ATOM 0 HH22 ARG A 51 -0.692 -7.442 15.005 1.00 41.42 H new ATOM 810 N HIS A 52 -8.674 -14.016 13.580 1.00 22.31 N ATOM 811 CA HIS A 52 -9.271 -15.251 13.062 1.00 4.40 C ATOM 812 C HIS A 52 -10.739 -15.012 12.664 1.00 25.42 C ATOM 813 O HIS A 52 -11.479 -14.365 13.402 1.00 63.14 O ATOM 814 CB HIS A 52 -9.214 -16.361 14.131 1.00 73.03 C ATOM 815 CG HIS A 52 -7.838 -16.663 14.655 1.00 5.35 C ATOM 816 ND1 HIS A 52 -7.405 -17.939 14.951 1.00 3.45 N ATOM 817 CD2 HIS A 52 -6.806 -15.845 14.976 1.00 74.14 C ATOM 818 CE1 HIS A 52 -6.178 -17.888 15.430 1.00 10.24 C ATOM 819 NE2 HIS A 52 -5.790 -16.629 15.455 1.00 40.32 N ATOM 0 H HIS A 52 -9.052 -13.713 14.478 1.00 22.31 H new ATOM 0 HA HIS A 52 -8.704 -15.560 12.184 1.00 4.40 H new ATOM 0 HB2 HIS A 52 -9.851 -16.073 14.968 1.00 73.03 H new ATOM 0 HB3 HIS A 52 -9.635 -17.274 13.709 1.00 73.03 H new ATOM 0 HD2 HIS A 52 -6.788 -14.770 14.873 1.00 74.14 H new ATOM 0 HE1 HIS A 52 -5.590 -18.736 15.748 1.00 10.24 H new ATOM 0 HE2 HIS A 52 -4.883 -16.293 15.778 1.00 40.32 H new ATOM 828 N PRO A 53 -11.196 -15.528 11.505 1.00 14.22 N ATOM 829 CA PRO A 53 -12.634 -15.513 11.163 1.00 23.42 C ATOM 830 C PRO A 53 -13.448 -16.291 12.212 1.00 54.13 C ATOM 831 O PRO A 53 -14.630 -16.038 12.438 1.00 72.05 O ATOM 832 CB PRO A 53 -12.688 -16.212 9.791 1.00 32.34 C ATOM 833 CG PRO A 53 -11.397 -16.960 9.684 1.00 11.32 C ATOM 834 CD PRO A 53 -10.384 -16.143 10.441 1.00 72.21 C ATOM 0 HA PRO A 53 -13.057 -14.509 11.140 1.00 23.42 H new ATOM 0 HB2 PRO A 53 -13.541 -16.887 9.726 1.00 32.34 H new ATOM 0 HB3 PRO A 53 -12.792 -15.488 8.983 1.00 32.34 H new ATOM 0 HG2 PRO A 53 -11.488 -17.960 10.108 1.00 11.32 H new ATOM 0 HG3 PRO A 53 -11.101 -17.082 8.642 1.00 11.32 H new ATOM 0 HD2 PRO A 53 -9.586 -16.763 10.848 1.00 72.21 H new ATOM 0 HD3 PRO A 53 -9.913 -15.393 9.806 1.00 72.21 H new ATOM 842 N ASP A 54 -12.763 -17.231 12.851 1.00 21.02 N ATOM 843 CA ASP A 54 -13.306 -18.037 13.944 1.00 61.35 C ATOM 844 C ASP A 54 -13.386 -17.239 15.269 1.00 71.23 C ATOM 845 O ASP A 54 -14.149 -17.592 16.173 1.00 42.35 O ATOM 846 CB ASP A 54 -12.408 -19.277 14.089 1.00 61.25 C ATOM 847 CG ASP A 54 -12.490 -19.940 15.447 1.00 44.54 C ATOM 848 OD1 ASP A 54 -13.328 -20.843 15.635 1.00 0.20 O ATOM 849 OD2 ASP A 54 -11.686 -19.574 16.326 1.00 31.04 O ATOM 0 H ASP A 54 -11.796 -17.461 12.622 1.00 21.02 H new ATOM 0 HA ASP A 54 -14.330 -18.332 13.715 1.00 61.35 H new ATOM 0 HB2 ASP A 54 -12.683 -20.003 13.324 1.00 61.25 H new ATOM 0 HB3 ASP A 54 -11.374 -18.989 13.898 1.00 61.25 H new ATOM 854 N ALA A 55 -12.622 -16.145 15.356 1.00 33.13 N ATOM 855 CA ALA A 55 -12.502 -15.361 16.598 1.00 74.21 C ATOM 856 C ALA A 55 -13.864 -14.982 17.189 1.00 63.34 C ATOM 857 O ALA A 55 -14.114 -15.207 18.372 1.00 51.44 O ATOM 858 CB ALA A 55 -11.677 -14.102 16.357 1.00 12.20 C ATOM 0 H ALA A 55 -12.073 -15.778 14.579 1.00 33.13 H new ATOM 0 HA ALA A 55 -11.996 -15.999 17.323 1.00 74.21 H new ATOM 0 HB1 ALA A 55 -11.599 -13.535 17.285 1.00 12.20 H new ATOM 0 HB2 ALA A 55 -10.680 -14.380 16.016 1.00 12.20 H new ATOM 0 HB3 ALA A 55 -12.162 -13.489 15.597 1.00 12.20 H new ATOM 864 N THR A 56 -14.743 -14.417 16.361 1.00 3.01 N ATOM 865 CA THR A 56 -16.087 -14.013 16.809 1.00 20.12 C ATOM 866 C THR A 56 -16.789 -15.129 17.607 1.00 61.01 C ATOM 867 O THR A 56 -17.478 -14.862 18.599 1.00 53.22 O ATOM 868 CB THR A 56 -16.981 -13.590 15.613 1.00 4.43 C ATOM 869 OG1 THR A 56 -18.320 -13.321 16.060 1.00 15.53 O ATOM 870 CG2 THR A 56 -17.004 -14.666 14.528 1.00 2.33 C ATOM 0 H THR A 56 -14.554 -14.227 15.377 1.00 3.01 H new ATOM 0 HA THR A 56 -15.946 -13.155 17.467 1.00 20.12 H new ATOM 0 HB THR A 56 -16.555 -12.682 15.186 1.00 4.43 H new ATOM 0 HG1 THR A 56 -18.872 -13.054 15.296 1.00 15.53 H new ATOM 0 HG21 THR A 56 -17.639 -14.339 13.705 1.00 2.33 H new ATOM 0 HG22 THR A 56 -15.992 -14.834 14.161 1.00 2.33 H new ATOM 0 HG23 THR A 56 -17.398 -15.593 14.944 1.00 2.33 H new ATOM 878 N SER A 57 -16.577 -16.380 17.191 1.00 73.11 N ATOM 879 CA SER A 57 -17.126 -17.545 17.900 1.00 32.44 C ATOM 880 C SER A 57 -16.353 -17.811 19.200 1.00 53.03 C ATOM 881 O SER A 57 -16.944 -17.929 20.274 1.00 2.32 O ATOM 882 CB SER A 57 -17.081 -18.794 17.007 1.00 33.45 C ATOM 883 OG SER A 57 -17.648 -19.919 17.664 1.00 41.43 O ATOM 0 H SER A 57 -16.028 -16.615 16.364 1.00 73.11 H new ATOM 0 HA SER A 57 -18.164 -17.323 18.149 1.00 32.44 H new ATOM 0 HB2 SER A 57 -17.621 -18.601 16.080 1.00 33.45 H new ATOM 0 HB3 SER A 57 -16.048 -19.012 16.734 1.00 33.45 H new ATOM 0 HG SER A 57 -17.607 -20.699 17.072 1.00 41.43 H new ATOM 889 N LYS A 58 -15.021 -17.882 19.106 1.00 30.34 N ATOM 890 CA LYS A 58 -14.175 -18.110 20.289 1.00 50.31 C ATOM 891 C LYS A 58 -13.930 -16.828 21.103 1.00 63.21 C ATOM 892 O LYS A 58 -12.992 -16.748 21.897 1.00 20.22 O ATOM 893 CB LYS A 58 -12.842 -18.769 19.904 1.00 32.24 C ATOM 894 CG LYS A 58 -12.947 -20.287 19.760 1.00 45.22 C ATOM 895 CD LYS A 58 -11.635 -20.985 20.098 1.00 62.11 C ATOM 896 CE LYS A 58 -10.604 -20.867 18.987 1.00 25.40 C ATOM 897 NZ LYS A 58 -11.019 -21.621 17.777 1.00 14.11 N ATOM 0 H LYS A 58 -14.506 -17.786 18.231 1.00 30.34 H new ATOM 0 HA LYS A 58 -14.729 -18.794 20.932 1.00 50.31 H new ATOM 0 HB2 LYS A 58 -12.491 -18.344 18.964 1.00 32.24 H new ATOM 0 HB3 LYS A 58 -12.094 -18.532 20.660 1.00 32.24 H new ATOM 0 HG2 LYS A 58 -13.735 -20.660 20.415 1.00 45.22 H new ATOM 0 HG3 LYS A 58 -13.237 -20.535 18.739 1.00 45.22 H new ATOM 0 HD2 LYS A 58 -11.227 -20.558 21.014 1.00 62.11 H new ATOM 0 HD3 LYS A 58 -11.830 -22.039 20.297 1.00 62.11 H new ATOM 0 HE2 LYS A 58 -10.461 -19.817 18.732 1.00 25.40 H new ATOM 0 HE3 LYS A 58 -9.643 -21.243 19.339 1.00 25.40 H new ATOM 0 HZ1 LYS A 58 -10.326 -22.371 17.581 1.00 14.11 H new ATOM 0 HZ2 LYS A 58 -11.954 -22.047 17.937 1.00 14.11 H new ATOM 0 HZ3 LYS A 58 -11.068 -20.974 16.964 1.00 14.11 H new ATOM 911 N ILE A 59 -14.765 -15.824 20.890 1.00 11.11 N ATOM 912 CA ILE A 59 -14.869 -14.690 21.810 1.00 1.23 C ATOM 913 C ILE A 59 -16.234 -14.726 22.510 1.00 12.12 C ATOM 914 O ILE A 59 -16.320 -14.611 23.737 1.00 31.43 O ATOM 915 CB ILE A 59 -14.671 -13.329 21.088 1.00 42.24 C ATOM 916 CG1 ILE A 59 -13.245 -13.235 20.517 1.00 21.54 C ATOM 917 CG2 ILE A 59 -14.954 -12.161 22.038 1.00 63.03 C ATOM 918 CD1 ILE A 59 -12.978 -11.975 19.717 1.00 5.25 C ATOM 0 H ILE A 59 -15.387 -15.766 20.084 1.00 11.11 H new ATOM 0 HA ILE A 59 -14.070 -14.780 22.546 1.00 1.23 H new ATOM 0 HB ILE A 59 -15.381 -13.268 20.263 1.00 42.24 H new ATOM 0 HG12 ILE A 59 -12.532 -13.288 21.340 1.00 21.54 H new ATOM 0 HG13 ILE A 59 -13.062 -14.101 19.881 1.00 21.54 H new ATOM 0 HG21 ILE A 59 -14.809 -11.219 21.510 1.00 63.03 H new ATOM 0 HG22 ILE A 59 -15.982 -12.223 22.394 1.00 63.03 H new ATOM 0 HG23 ILE A 59 -14.273 -12.209 22.887 1.00 63.03 H new ATOM 0 HD11 ILE A 59 -11.951 -11.987 19.351 1.00 5.25 H new ATOM 0 HD12 ILE A 59 -13.665 -11.928 18.872 1.00 5.25 H new ATOM 0 HD13 ILE A 59 -13.126 -11.102 20.353 1.00 5.25 H new ATOM 930 N GLY A 60 -17.291 -14.914 21.715 1.00 64.43 N ATOM 931 CA GLY A 60 -18.643 -15.060 22.249 1.00 54.25 C ATOM 932 C GLY A 60 -19.053 -13.945 23.210 1.00 71.54 C ATOM 933 O GLY A 60 -19.123 -12.780 22.813 1.00 71.14 O ATOM 0 H GLY A 60 -17.234 -14.968 20.698 1.00 64.43 H new ATOM 0 HA2 GLY A 60 -19.349 -15.089 21.419 1.00 54.25 H new ATOM 0 HA3 GLY A 60 -18.718 -16.017 22.765 1.00 54.25 H new ATOM 937 N PRO A 61 -19.330 -14.275 24.488 1.00 20.14 N ATOM 938 CA PRO A 61 -19.748 -13.284 25.496 1.00 11.43 C ATOM 939 C PRO A 61 -18.589 -12.418 26.027 1.00 21.43 C ATOM 940 O PRO A 61 -18.816 -11.347 26.596 1.00 34.34 O ATOM 941 CB PRO A 61 -20.325 -14.161 26.614 1.00 1.40 C ATOM 942 CG PRO A 61 -19.566 -15.443 26.514 1.00 23.32 C ATOM 943 CD PRO A 61 -19.278 -15.643 25.047 1.00 41.32 C ATOM 0 HA PRO A 61 -20.449 -12.559 25.082 1.00 11.43 H new ATOM 0 HB2 PRO A 61 -20.192 -13.697 27.591 1.00 1.40 H new ATOM 0 HB3 PRO A 61 -21.395 -14.322 26.480 1.00 1.40 H new ATOM 0 HG2 PRO A 61 -18.642 -15.395 27.090 1.00 23.32 H new ATOM 0 HG3 PRO A 61 -20.148 -16.273 26.914 1.00 23.32 H new ATOM 0 HD2 PRO A 61 -18.302 -16.103 24.890 1.00 41.32 H new ATOM 0 HD3 PRO A 61 -20.016 -16.295 24.580 1.00 41.32 H new ATOM 951 N GLY A 62 -17.351 -12.879 25.850 1.00 32.41 N ATOM 952 CA GLY A 62 -16.199 -12.118 26.325 1.00 32.41 C ATOM 953 C GLY A 62 -14.994 -12.979 26.705 1.00 64.00 C ATOM 954 O GLY A 62 -15.071 -14.213 26.739 1.00 64.31 O ATOM 0 H GLY A 62 -17.123 -13.760 25.389 1.00 32.41 H new ATOM 0 HA2 GLY A 62 -15.898 -11.413 25.550 1.00 32.41 H new ATOM 0 HA3 GLY A 62 -16.499 -11.529 27.192 1.00 32.41 H new ATOM 958 N VAL A 63 -13.878 -12.314 27.011 1.00 51.22 N ATOM 959 CA VAL A 63 -12.623 -12.994 27.357 1.00 35.11 C ATOM 960 C VAL A 63 -12.506 -13.235 28.871 1.00 72.54 C ATOM 961 O VAL A 63 -12.610 -12.304 29.667 1.00 34.51 O ATOM 962 CB VAL A 63 -11.396 -12.172 26.876 1.00 54.41 C ATOM 963 CG1 VAL A 63 -10.082 -12.848 27.275 1.00 34.34 C ATOM 964 CG2 VAL A 63 -11.456 -11.955 25.364 1.00 43.45 C ATOM 0 H VAL A 63 -13.816 -11.296 27.027 1.00 51.22 H new ATOM 0 HA VAL A 63 -12.636 -13.959 26.850 1.00 35.11 H new ATOM 0 HB VAL A 63 -11.430 -11.200 27.367 1.00 54.41 H new ATOM 0 HG11 VAL A 63 -9.243 -12.248 26.924 1.00 34.34 H new ATOM 0 HG12 VAL A 63 -10.034 -12.939 28.360 1.00 34.34 H new ATOM 0 HG13 VAL A 63 -10.032 -13.840 26.826 1.00 34.34 H new ATOM 0 HG21 VAL A 63 -10.589 -11.377 25.045 1.00 43.45 H new ATOM 0 HG22 VAL A 63 -11.456 -12.920 24.858 1.00 43.45 H new ATOM 0 HG23 VAL A 63 -12.367 -11.412 25.110 1.00 43.45 H new ATOM 974 N ARG A 64 -12.291 -14.492 29.261 1.00 72.44 N ATOM 975 CA ARG A 64 -12.098 -14.843 30.675 1.00 60.33 C ATOM 976 C ARG A 64 -10.603 -14.800 31.040 1.00 70.32 C ATOM 977 O ARG A 64 -10.167 -13.952 31.819 1.00 73.21 O ATOM 978 CB ARG A 64 -12.679 -16.238 30.947 1.00 53.15 C ATOM 979 CG ARG A 64 -12.691 -16.652 32.417 1.00 71.01 C ATOM 980 CD ARG A 64 -13.271 -18.053 32.591 1.00 14.21 C ATOM 981 NE ARG A 64 -13.360 -18.452 33.993 1.00 51.00 N ATOM 982 CZ ARG A 64 -13.732 -19.637 34.398 1.00 52.22 C ATOM 983 NH1 ARG A 64 -14.020 -20.572 33.546 1.00 3.32 N ATOM 984 NH2 ARG A 64 -13.807 -19.887 35.662 1.00 30.03 N ATOM 0 H ARG A 64 -12.246 -15.285 28.621 1.00 72.44 H new ATOM 0 HA ARG A 64 -12.621 -14.116 31.296 1.00 60.33 H new ATOM 0 HB2 ARG A 64 -13.700 -16.271 30.566 1.00 53.15 H new ATOM 0 HB3 ARG A 64 -12.104 -16.972 30.382 1.00 53.15 H new ATOM 0 HG2 ARG A 64 -11.676 -16.624 32.814 1.00 71.01 H new ATOM 0 HG3 ARG A 64 -13.279 -15.938 32.994 1.00 71.01 H new ATOM 0 HD2 ARG A 64 -14.264 -18.090 32.143 1.00 14.21 H new ATOM 0 HD3 ARG A 64 -12.651 -18.769 32.052 1.00 14.21 H new ATOM 0 HE ARG A 64 -13.116 -17.761 34.702 1.00 51.00 H new ATOM 0 HH11 ARG A 64 -13.957 -20.387 32.545 1.00 3.32 H new ATOM 0 HH12 ARG A 64 -14.309 -21.492 33.877 1.00 3.32 H new ATOM 0 HH21 ARG A 64 -13.576 -19.161 36.340 1.00 30.03 H new ATOM 0 HH22 ARG A 64 -14.097 -20.811 35.983 1.00 30.03 H new ATOM 998 N ASN A 65 -9.830 -15.724 30.466 1.00 22.20 N ATOM 999 CA ASN A 65 -8.369 -15.743 30.627 1.00 70.01 C ATOM 1000 C ASN A 65 -7.714 -16.728 29.642 1.00 4.34 C ATOM 1001 O ASN A 65 -8.379 -17.285 28.764 1.00 22.43 O ATOM 1002 CB ASN A 65 -7.968 -16.101 32.069 1.00 65.32 C ATOM 1003 CG ASN A 65 -8.527 -17.435 32.533 1.00 55.23 C ATOM 1004 OD1 ASN A 65 -7.976 -18.490 32.244 1.00 75.12 O ATOM 1005 ND2 ASN A 65 -9.602 -17.398 33.291 1.00 73.45 N ATOM 0 H ASN A 65 -10.192 -16.476 29.880 1.00 22.20 H new ATOM 0 HA ASN A 65 -8.009 -14.738 30.408 1.00 70.01 H new ATOM 0 HB2 ASN A 65 -6.881 -16.125 32.141 1.00 65.32 H new ATOM 0 HB3 ASN A 65 -8.315 -15.316 32.741 1.00 65.32 H new ATOM 0 HD21 ASN A 65 -9.999 -18.264 33.655 1.00 73.45 H new ATOM 0 HD22 ASN A 65 -10.038 -16.503 33.514 1.00 73.45 H new ATOM 1012 N PHE A 66 -6.403 -16.914 29.781 1.00 1.32 N ATOM 1013 CA PHE A 66 -5.649 -17.891 28.981 1.00 5.24 C ATOM 1014 C PHE A 66 -4.801 -18.789 29.894 1.00 53.00 C ATOM 1015 O PHE A 66 -4.237 -18.323 30.884 1.00 32.24 O ATOM 1016 CB PHE A 66 -4.738 -17.178 27.968 1.00 65.51 C ATOM 1017 CG PHE A 66 -5.474 -16.449 26.867 1.00 33.44 C ATOM 1018 CD1 PHE A 66 -5.954 -15.161 27.065 1.00 51.43 C ATOM 1019 CD2 PHE A 66 -5.674 -17.050 25.631 1.00 21.24 C ATOM 1020 CE1 PHE A 66 -6.617 -14.491 26.056 1.00 4.23 C ATOM 1021 CE2 PHE A 66 -6.338 -16.382 24.619 1.00 44.44 C ATOM 1022 CZ PHE A 66 -6.810 -15.102 24.831 1.00 50.34 C ATOM 0 H PHE A 66 -5.830 -16.396 30.448 1.00 1.32 H new ATOM 0 HA PHE A 66 -6.365 -18.507 28.437 1.00 5.24 H new ATOM 0 HB2 PHE A 66 -4.110 -16.465 28.502 1.00 65.51 H new ATOM 0 HB3 PHE A 66 -4.072 -17.914 27.517 1.00 65.51 H new ATOM 0 HD1 PHE A 66 -5.807 -14.678 28.020 1.00 51.43 H new ATOM 0 HD2 PHE A 66 -5.307 -18.051 25.458 1.00 21.24 H new ATOM 0 HE1 PHE A 66 -6.985 -13.490 26.224 1.00 4.23 H new ATOM 0 HE2 PHE A 66 -6.487 -16.861 23.663 1.00 44.44 H new ATOM 0 HZ PHE A 66 -7.329 -14.579 24.041 1.00 50.34 H new ATOM 1032 N GLU A 67 -4.704 -20.074 29.561 1.00 50.14 N ATOM 1033 CA GLU A 67 -3.946 -21.024 30.389 1.00 3.32 C ATOM 1034 C GLU A 67 -2.909 -21.804 29.564 1.00 45.51 C ATOM 1035 O GLU A 67 -3.125 -22.100 28.390 1.00 31.05 O ATOM 1036 CB GLU A 67 -4.908 -21.994 31.085 1.00 55.23 C ATOM 1037 CG GLU A 67 -4.232 -22.915 32.094 1.00 41.25 C ATOM 1038 CD GLU A 67 -5.229 -23.774 32.850 1.00 22.13 C ATOM 1039 OE1 GLU A 67 -5.957 -23.233 33.706 1.00 40.12 O ATOM 1040 OE2 GLU A 67 -5.297 -24.991 32.596 1.00 65.30 O ATOM 0 H GLU A 67 -5.135 -20.484 28.732 1.00 50.14 H new ATOM 0 HA GLU A 67 -3.402 -20.450 31.139 1.00 3.32 H new ATOM 0 HB2 GLU A 67 -5.683 -21.420 31.594 1.00 55.23 H new ATOM 0 HB3 GLU A 67 -5.406 -22.602 30.329 1.00 55.23 H new ATOM 0 HG2 GLU A 67 -3.521 -23.559 31.576 1.00 41.25 H new ATOM 0 HG3 GLU A 67 -3.661 -22.316 32.803 1.00 41.25 H new ATOM 1047 N VAL A 68 -1.781 -22.134 30.192 1.00 73.43 N ATOM 1048 CA VAL A 68 -0.698 -22.858 29.516 1.00 2.32 C ATOM 1049 C VAL A 68 -0.695 -24.356 29.872 1.00 51.33 C ATOM 1050 O VAL A 68 -0.551 -24.731 31.037 1.00 52.33 O ATOM 1051 CB VAL A 68 0.682 -22.242 29.865 1.00 72.05 C ATOM 1052 CG1 VAL A 68 1.815 -23.029 29.208 1.00 11.12 C ATOM 1053 CG2 VAL A 68 0.728 -20.772 29.448 1.00 50.11 C ATOM 0 H VAL A 68 -1.590 -21.912 31.169 1.00 73.43 H new ATOM 0 HA VAL A 68 -0.878 -22.762 28.445 1.00 2.32 H new ATOM 0 HB VAL A 68 0.819 -22.299 30.945 1.00 72.05 H new ATOM 0 HG11 VAL A 68 2.772 -22.576 29.469 1.00 11.12 H new ATOM 0 HG12 VAL A 68 1.794 -24.060 29.560 1.00 11.12 H new ATOM 0 HG13 VAL A 68 1.689 -23.013 28.125 1.00 11.12 H new ATOM 0 HG21 VAL A 68 1.702 -20.353 29.699 1.00 50.11 H new ATOM 0 HG22 VAL A 68 0.565 -20.693 28.373 1.00 50.11 H new ATOM 0 HG23 VAL A 68 -0.051 -20.220 29.974 1.00 50.11 H new ATOM 1063 N ARG A 69 -0.862 -25.206 28.855 1.00 3.23 N ATOM 1064 CA ARG A 69 -0.769 -26.667 29.021 1.00 43.50 C ATOM 1065 C ARG A 69 0.143 -27.279 27.946 1.00 11.43 C ATOM 1066 O ARG A 69 0.380 -26.666 26.908 1.00 33.20 O ATOM 1067 CB ARG A 69 -2.159 -27.321 28.944 1.00 64.33 C ATOM 1068 CG ARG A 69 -3.122 -26.896 30.051 1.00 65.53 C ATOM 1069 CD ARG A 69 -4.439 -27.663 29.970 1.00 32.14 C ATOM 1070 NE ARG A 69 -5.368 -27.267 31.023 1.00 44.11 N ATOM 1071 CZ ARG A 69 -6.143 -28.092 31.671 1.00 60.15 C ATOM 1072 NH1 ARG A 69 -6.094 -29.365 31.437 1.00 10.02 N ATOM 1073 NH2 ARG A 69 -6.950 -27.637 32.571 1.00 31.03 N ATOM 0 H ARG A 69 -1.064 -24.909 27.900 1.00 3.23 H new ATOM 0 HA ARG A 69 -0.343 -26.859 30.006 1.00 43.50 H new ATOM 0 HB2 ARG A 69 -2.606 -27.081 27.979 1.00 64.33 H new ATOM 0 HB3 ARG A 69 -2.039 -28.404 28.980 1.00 64.33 H new ATOM 0 HG2 ARG A 69 -2.659 -27.067 31.023 1.00 65.53 H new ATOM 0 HG3 ARG A 69 -3.317 -25.826 29.974 1.00 65.53 H new ATOM 0 HD2 ARG A 69 -4.899 -27.491 28.997 1.00 32.14 H new ATOM 0 HD3 ARG A 69 -4.241 -28.732 30.045 1.00 32.14 H new ATOM 0 HE ARG A 69 -5.415 -26.278 31.269 1.00 44.11 H new ATOM 0 HH11 ARG A 69 -5.445 -29.731 30.740 1.00 10.02 H new ATOM 0 HH12 ARG A 69 -6.704 -30.002 31.949 1.00 10.02 H new ATOM 0 HH21 ARG A 69 -6.979 -26.637 32.772 1.00 31.03 H new ATOM 0 HH22 ARG A 69 -7.558 -28.277 33.081 1.00 31.03 H new ATOM 1087 N SER A 70 0.648 -28.487 28.193 1.00 61.33 N ATOM 1088 CA SER A 70 1.520 -29.174 27.224 1.00 70.34 C ATOM 1089 C SER A 70 0.716 -29.711 26.031 1.00 53.02 C ATOM 1090 O SER A 70 -0.476 -29.994 26.148 1.00 61.45 O ATOM 1091 CB SER A 70 2.284 -30.328 27.896 1.00 33.53 C ATOM 1092 OG SER A 70 3.197 -29.848 28.876 1.00 5.13 O ATOM 0 H SER A 70 0.473 -29.013 29.049 1.00 61.33 H new ATOM 0 HA SER A 70 2.237 -28.440 26.856 1.00 70.34 H new ATOM 0 HB2 SER A 70 1.575 -31.012 28.362 1.00 33.53 H new ATOM 0 HB3 SER A 70 2.826 -30.896 27.140 1.00 33.53 H new ATOM 0 HG SER A 70 3.665 -30.605 29.286 1.00 5.13 H new ATOM 1098 N ALA A 71 1.372 -29.841 24.880 1.00 12.43 N ATOM 1099 CA ALA A 71 0.722 -30.368 23.675 1.00 60.42 C ATOM 1100 C ALA A 71 1.319 -31.723 23.266 1.00 24.02 C ATOM 1101 O ALA A 71 0.770 -32.779 23.592 1.00 2.32 O ATOM 1102 CB ALA A 71 0.834 -29.362 22.533 1.00 51.34 C ATOM 0 H ALA A 71 2.352 -29.590 24.753 1.00 12.43 H new ATOM 0 HA ALA A 71 -0.333 -30.527 23.900 1.00 60.42 H new ATOM 0 HB1 ALA A 71 0.348 -29.765 21.644 1.00 51.34 H new ATOM 0 HB2 ALA A 71 0.349 -28.429 22.821 1.00 51.34 H new ATOM 0 HB3 ALA A 71 1.885 -29.172 22.317 1.00 51.34 H new ATOM 1108 N ASP A 72 2.452 -31.693 22.567 1.00 2.21 N ATOM 1109 CA ASP A 72 3.110 -32.920 22.114 1.00 34.44 C ATOM 1110 C ASP A 72 4.021 -33.501 23.208 1.00 44.11 C ATOM 1111 O ASP A 72 3.616 -34.392 23.955 1.00 32.13 O ATOM 1112 CB ASP A 72 3.909 -32.651 20.831 1.00 62.42 C ATOM 1113 CG ASP A 72 3.035 -32.111 19.712 1.00 33.12 C ATOM 1114 OD1 ASP A 72 2.827 -30.881 19.660 1.00 71.34 O ATOM 1115 OD2 ASP A 72 2.554 -32.911 18.881 1.00 23.15 O ATOM 0 H ASP A 72 2.934 -30.834 22.302 1.00 2.21 H new ATOM 0 HA ASP A 72 2.338 -33.659 21.899 1.00 34.44 H new ATOM 0 HB2 ASP A 72 4.705 -31.938 21.044 1.00 62.42 H new ATOM 0 HB3 ASP A 72 4.387 -33.574 20.503 1.00 62.42 H new ATOM 1120 N TYR A 73 5.249 -32.990 23.311 1.00 20.21 N ATOM 1121 CA TYR A 73 6.221 -33.495 24.296 1.00 71.15 C ATOM 1122 C TYR A 73 6.938 -32.332 25.001 1.00 1.33 C ATOM 1123 O TYR A 73 6.769 -32.114 26.204 1.00 31.23 O ATOM 1124 CB TYR A 73 7.237 -34.418 23.596 1.00 20.34 C ATOM 1125 CG TYR A 73 6.576 -35.427 22.672 1.00 63.34 C ATOM 1126 CD1 TYR A 73 5.925 -36.545 23.182 1.00 43.31 C ATOM 1127 CD2 TYR A 73 6.572 -35.240 21.292 1.00 65.05 C ATOM 1128 CE1 TYR A 73 5.290 -37.445 22.348 1.00 34.14 C ATOM 1129 CE2 TYR A 73 5.944 -36.141 20.450 1.00 31.35 C ATOM 1130 CZ TYR A 73 5.302 -37.241 20.985 1.00 45.11 C ATOM 1131 OH TYR A 73 4.660 -38.135 20.158 1.00 25.22 O ATOM 0 H TYR A 73 5.598 -32.229 22.729 1.00 20.21 H new ATOM 0 HA TYR A 73 5.688 -34.067 25.056 1.00 71.15 H new ATOM 0 HB2 TYR A 73 7.937 -33.811 23.022 1.00 20.34 H new ATOM 0 HB3 TYR A 73 7.818 -34.949 24.350 1.00 20.34 H new ATOM 0 HD1 TYR A 73 5.916 -36.713 24.249 1.00 43.31 H new ATOM 0 HD2 TYR A 73 7.067 -34.377 20.872 1.00 65.05 H new ATOM 0 HE1 TYR A 73 4.786 -38.305 22.763 1.00 34.14 H new ATOM 0 HE2 TYR A 73 5.956 -35.985 19.381 1.00 31.35 H new ATOM 0 HH TYR A 73 4.760 -37.849 19.226 1.00 25.22 H new ATOM 1141 N GLY A 74 7.734 -31.587 24.241 1.00 74.01 N ATOM 1142 CA GLY A 74 8.394 -30.395 24.768 1.00 32.24 C ATOM 1143 C GLY A 74 7.670 -29.108 24.380 1.00 61.40 C ATOM 1144 O GLY A 74 7.970 -28.028 24.899 1.00 41.52 O ATOM 0 H GLY A 74 7.938 -31.785 23.262 1.00 74.01 H new ATOM 0 HA2 GLY A 74 8.449 -30.464 25.854 1.00 32.24 H new ATOM 0 HA3 GLY A 74 9.419 -30.357 24.399 1.00 32.24 H new ATOM 1148 N THR A 75 6.720 -29.225 23.452 1.00 43.40 N ATOM 1149 CA THR A 75 5.915 -28.081 23.000 1.00 10.25 C ATOM 1150 C THR A 75 4.567 -28.002 23.731 1.00 71.20 C ATOM 1151 O THR A 75 3.867 -29.005 23.894 1.00 5.40 O ATOM 1152 CB THR A 75 5.651 -28.137 21.476 1.00 24.33 C ATOM 1153 OG1 THR A 75 5.044 -29.392 21.125 1.00 42.42 O ATOM 1154 CG2 THR A 75 6.948 -27.958 20.692 1.00 22.34 C ATOM 0 H THR A 75 6.485 -30.105 22.994 1.00 43.40 H new ATOM 0 HA THR A 75 6.499 -27.191 23.235 1.00 10.25 H new ATOM 0 HB THR A 75 4.974 -27.322 21.219 1.00 24.33 H new ATOM 0 HG1 THR A 75 4.256 -29.229 20.566 1.00 42.42 H new ATOM 0 HG21 THR A 75 6.736 -28.001 19.624 1.00 22.34 H new ATOM 0 HG22 THR A 75 7.390 -26.992 20.936 1.00 22.34 H new ATOM 0 HG23 THR A 75 7.645 -28.753 20.956 1.00 22.34 H new ATOM 1162 N GLN A 76 4.220 -26.796 24.172 1.00 42.11 N ATOM 1163 CA GLN A 76 2.956 -26.533 24.870 1.00 43.43 C ATOM 1164 C GLN A 76 1.944 -25.834 23.940 1.00 5.43 C ATOM 1165 O GLN A 76 2.186 -25.689 22.740 1.00 13.41 O ATOM 1166 CB GLN A 76 3.236 -25.650 26.096 1.00 43.33 C ATOM 1167 CG GLN A 76 4.209 -26.259 27.106 1.00 2.22 C ATOM 1168 CD GLN A 76 5.060 -25.207 27.802 1.00 62.11 C ATOM 1169 OE1 GLN A 76 6.155 -24.885 27.352 1.00 70.41 O ATOM 1170 NE2 GLN A 76 4.567 -24.658 28.891 1.00 22.22 N ATOM 0 H GLN A 76 4.806 -25.969 24.057 1.00 42.11 H new ATOM 0 HA GLN A 76 2.523 -27.483 25.184 1.00 43.43 H new ATOM 0 HB2 GLN A 76 3.635 -24.694 25.756 1.00 43.33 H new ATOM 0 HB3 GLN A 76 2.293 -25.440 26.600 1.00 43.33 H new ATOM 0 HG2 GLN A 76 3.648 -26.820 27.853 1.00 2.22 H new ATOM 0 HG3 GLN A 76 4.860 -26.969 26.596 1.00 2.22 H new ATOM 0 HE21 GLN A 76 3.653 -24.948 29.239 1.00 22.22 H new ATOM 0 HE22 GLN A 76 5.098 -23.942 29.387 1.00 22.22 H new ATOM 1179 N CYS A 77 0.817 -25.398 24.499 1.00 1.03 N ATOM 1180 CA CYS A 77 -0.208 -24.668 23.736 1.00 72.20 C ATOM 1181 C CYS A 77 -0.957 -23.665 24.622 1.00 34.05 C ATOM 1182 O CYS A 77 -1.113 -23.878 25.825 1.00 64.41 O ATOM 1183 CB CYS A 77 -1.215 -25.638 23.094 1.00 65.13 C ATOM 1184 SG CYS A 77 -0.543 -26.617 21.730 1.00 15.04 S ATOM 0 H CYS A 77 0.585 -25.536 25.483 1.00 1.03 H new ATOM 0 HA CYS A 77 0.310 -24.120 22.949 1.00 72.20 H new ATOM 0 HB2 CYS A 77 -1.589 -26.315 23.862 1.00 65.13 H new ATOM 0 HB3 CYS A 77 -2.069 -25.067 22.729 1.00 65.13 H new ATOM 0 HG CYS A 77 0.755 -26.548 21.745 1.00 15.04 H new ATOM 1190 N PHE A 78 -1.406 -22.565 24.018 1.00 31.33 N ATOM 1191 CA PHE A 78 -2.202 -21.557 24.727 1.00 32.12 C ATOM 1192 C PHE A 78 -3.700 -21.898 24.672 1.00 34.55 C ATOM 1193 O PHE A 78 -4.292 -21.975 23.593 1.00 41.32 O ATOM 1194 CB PHE A 78 -1.962 -20.162 24.131 1.00 62.14 C ATOM 1195 CG PHE A 78 -0.551 -19.653 24.317 1.00 33.15 C ATOM 1196 CD1 PHE A 78 -0.141 -19.144 25.543 1.00 12.43 C ATOM 1197 CD2 PHE A 78 0.362 -19.680 23.271 1.00 5.54 C ATOM 1198 CE1 PHE A 78 1.146 -18.676 25.720 1.00 44.02 C ATOM 1199 CE2 PHE A 78 1.651 -19.210 23.445 1.00 2.55 C ATOM 1200 CZ PHE A 78 2.042 -18.708 24.671 1.00 65.53 C ATOM 0 H PHE A 78 -1.233 -22.347 23.037 1.00 31.33 H new ATOM 0 HA PHE A 78 -1.885 -21.556 25.770 1.00 32.12 H new ATOM 0 HB2 PHE A 78 -2.191 -20.188 23.066 1.00 62.14 H new ATOM 0 HB3 PHE A 78 -2.656 -19.457 24.589 1.00 62.14 H new ATOM 0 HD1 PHE A 78 -0.838 -19.114 26.368 1.00 12.43 H new ATOM 0 HD2 PHE A 78 0.062 -20.073 22.311 1.00 5.54 H new ATOM 0 HE1 PHE A 78 1.451 -18.285 26.679 1.00 44.02 H new ATOM 0 HE2 PHE A 78 2.351 -19.235 22.623 1.00 2.55 H new ATOM 0 HZ PHE A 78 3.048 -18.341 24.809 1.00 65.53 H new ATOM 1210 N TRP A 79 -4.300 -22.114 25.839 1.00 34.55 N ATOM 1211 CA TRP A 79 -5.726 -22.437 25.937 1.00 71.42 C ATOM 1212 C TRP A 79 -6.582 -21.179 26.162 1.00 23.15 C ATOM 1213 O TRP A 79 -6.335 -20.393 27.079 1.00 40.53 O ATOM 1214 CB TRP A 79 -5.964 -23.455 27.062 1.00 42.03 C ATOM 1215 CG TRP A 79 -5.444 -24.831 26.742 1.00 22.53 C ATOM 1216 CD1 TRP A 79 -4.138 -25.215 26.636 1.00 51.02 C ATOM 1217 CD2 TRP A 79 -6.227 -26.001 26.479 1.00 2.24 C ATOM 1218 NE1 TRP A 79 -4.064 -26.553 26.325 1.00 32.23 N ATOM 1219 CE2 TRP A 79 -5.332 -27.057 26.224 1.00 0.11 C ATOM 1220 CE3 TRP A 79 -7.600 -26.255 26.436 1.00 22.41 C ATOM 1221 CZ2 TRP A 79 -5.769 -28.348 25.932 1.00 43.22 C ATOM 1222 CZ3 TRP A 79 -8.033 -27.534 26.144 1.00 21.43 C ATOM 1223 CH2 TRP A 79 -7.120 -28.567 25.896 1.00 64.23 C ATOM 0 H TRP A 79 -3.820 -22.071 26.738 1.00 34.55 H new ATOM 0 HA TRP A 79 -6.032 -22.876 24.987 1.00 71.42 H new ATOM 0 HB2 TRP A 79 -5.486 -23.097 27.974 1.00 42.03 H new ATOM 0 HB3 TRP A 79 -7.033 -23.517 27.266 1.00 42.03 H new ATOM 0 HD1 TRP A 79 -3.288 -24.564 26.776 1.00 51.02 H new ATOM 0 HE1 TRP A 79 -3.203 -27.084 26.191 1.00 32.23 H new ATOM 0 HE3 TRP A 79 -8.311 -25.465 26.628 1.00 22.41 H new ATOM 0 HZ2 TRP A 79 -5.067 -29.147 25.741 1.00 43.22 H new ATOM 0 HZ3 TRP A 79 -9.092 -27.741 26.106 1.00 21.43 H new ATOM 0 HH2 TRP A 79 -7.489 -29.557 25.672 1.00 64.23 H new ATOM 1234 N ILE A 80 -7.588 -21.007 25.310 1.00 64.44 N ATOM 1235 CA ILE A 80 -8.483 -19.852 25.358 1.00 12.10 C ATOM 1236 C ILE A 80 -9.700 -20.111 26.266 1.00 41.31 C ATOM 1237 O ILE A 80 -10.610 -20.860 25.905 1.00 23.24 O ATOM 1238 CB ILE A 80 -8.984 -19.503 23.932 1.00 20.35 C ATOM 1239 CG1 ILE A 80 -7.799 -19.305 22.973 1.00 53.44 C ATOM 1240 CG2 ILE A 80 -9.862 -18.259 23.960 1.00 63.31 C ATOM 1241 CD1 ILE A 80 -8.211 -19.002 21.546 1.00 24.24 C ATOM 0 H ILE A 80 -7.808 -21.666 24.563 1.00 64.44 H new ATOM 0 HA ILE A 80 -7.914 -19.019 25.770 1.00 12.10 H new ATOM 0 HB ILE A 80 -9.583 -20.338 23.568 1.00 20.35 H new ATOM 0 HG12 ILE A 80 -7.177 -18.490 23.343 1.00 53.44 H new ATOM 0 HG13 ILE A 80 -7.183 -20.204 22.980 1.00 53.44 H new ATOM 0 HG21 ILE A 80 -10.203 -18.031 22.950 1.00 63.31 H new ATOM 0 HG22 ILE A 80 -10.724 -18.437 24.603 1.00 63.31 H new ATOM 0 HG23 ILE A 80 -9.288 -17.417 24.347 1.00 63.31 H new ATOM 0 HD11 ILE A 80 -7.321 -18.875 20.929 1.00 24.24 H new ATOM 0 HD12 ILE A 80 -8.808 -19.827 21.157 1.00 24.24 H new ATOM 0 HD13 ILE A 80 -8.801 -18.086 21.524 1.00 24.24 H new ATOM 1253 N LEU A 81 -9.713 -19.493 27.447 1.00 1.31 N ATOM 1254 CA LEU A 81 -10.854 -19.605 28.366 1.00 73.43 C ATOM 1255 C LEU A 81 -11.873 -18.480 28.112 1.00 12.11 C ATOM 1256 O LEU A 81 -11.515 -17.296 28.055 1.00 70.00 O ATOM 1257 CB LEU A 81 -10.391 -19.564 29.837 1.00 70.24 C ATOM 1258 CG LEU A 81 -9.560 -20.770 30.328 1.00 62.40 C ATOM 1259 CD1 LEU A 81 -10.297 -22.081 30.076 1.00 74.12 C ATOM 1260 CD2 LEU A 81 -8.175 -20.790 29.685 1.00 32.11 C ATOM 0 H LEU A 81 -8.950 -18.910 27.792 1.00 1.31 H new ATOM 0 HA LEU A 81 -11.332 -20.566 28.178 1.00 73.43 H new ATOM 0 HB2 LEU A 81 -9.801 -18.659 29.985 1.00 70.24 H new ATOM 0 HB3 LEU A 81 -11.273 -19.476 30.471 1.00 70.24 H new ATOM 0 HG LEU A 81 -9.424 -20.660 31.404 1.00 62.40 H new ATOM 0 HD11 LEU A 81 -9.690 -22.914 30.431 1.00 74.12 H new ATOM 0 HD12 LEU A 81 -11.248 -22.072 30.609 1.00 74.12 H new ATOM 0 HD13 LEU A 81 -10.481 -22.196 29.008 1.00 74.12 H new ATOM 0 HD21 LEU A 81 -7.616 -21.651 30.052 1.00 32.11 H new ATOM 0 HD22 LEU A 81 -8.278 -20.859 28.602 1.00 32.11 H new ATOM 0 HD23 LEU A 81 -7.641 -19.875 29.942 1.00 32.11 H new ATOM 1272 N ARG A 82 -13.141 -18.850 27.932 1.00 30.14 N ATOM 1273 CA ARG A 82 -14.220 -17.873 27.713 1.00 61.44 C ATOM 1274 C ARG A 82 -15.059 -17.675 28.982 1.00 45.32 C ATOM 1275 O ARG A 82 -15.170 -18.581 29.802 1.00 34.14 O ATOM 1276 CB ARG A 82 -15.130 -18.339 26.568 1.00 24.43 C ATOM 1277 CG ARG A 82 -14.418 -18.554 25.233 1.00 2.21 C ATOM 1278 CD ARG A 82 -13.814 -17.266 24.675 1.00 2.04 C ATOM 1279 NE ARG A 82 -12.622 -16.834 25.409 1.00 52.32 N ATOM 1280 CZ ARG A 82 -11.819 -15.882 25.019 1.00 53.05 C ATOM 1281 NH1 ARG A 82 -12.003 -15.279 23.885 1.00 74.41 N ATOM 1282 NH2 ARG A 82 -10.799 -15.570 25.752 1.00 65.30 N ATOM 0 H ARG A 82 -13.452 -19.821 27.933 1.00 30.14 H new ATOM 0 HA ARG A 82 -13.758 -16.921 27.452 1.00 61.44 H new ATOM 0 HB2 ARG A 82 -15.612 -19.272 26.862 1.00 24.43 H new ATOM 0 HB3 ARG A 82 -15.921 -17.602 26.428 1.00 24.43 H new ATOM 0 HG2 ARG A 82 -13.629 -19.295 25.361 1.00 2.21 H new ATOM 0 HG3 ARG A 82 -15.124 -18.963 24.510 1.00 2.21 H new ATOM 0 HD2 ARG A 82 -13.555 -17.416 23.627 1.00 2.04 H new ATOM 0 HD3 ARG A 82 -14.563 -16.475 24.709 1.00 2.04 H new ATOM 0 HE ARG A 82 -12.405 -17.310 26.285 1.00 52.32 H new ATOM 0 HH11 ARG A 82 -12.783 -15.547 23.285 1.00 74.41 H new ATOM 0 HH12 ARG A 82 -11.367 -14.537 23.593 1.00 74.41 H new ATOM 0 HH21 ARG A 82 -10.628 -16.067 26.626 1.00 65.30 H new ATOM 0 HH22 ARG A 82 -10.166 -14.827 25.455 1.00 65.30 H new ATOM 1296 N THR A 83 -15.656 -16.488 29.134 1.00 0.22 N ATOM 1297 CA THR A 83 -16.555 -16.212 30.272 1.00 4.41 C ATOM 1298 C THR A 83 -17.738 -17.190 30.279 1.00 11.00 C ATOM 1299 O THR A 83 -18.305 -17.503 31.328 1.00 65.34 O ATOM 1300 CB THR A 83 -17.104 -14.766 30.237 1.00 15.22 C ATOM 1301 OG1 THR A 83 -17.853 -14.555 29.032 1.00 71.11 O ATOM 1302 CG2 THR A 83 -15.972 -13.745 30.318 1.00 51.21 C ATOM 0 H THR A 83 -15.538 -15.705 28.491 1.00 0.22 H new ATOM 0 HA THR A 83 -15.962 -16.339 31.178 1.00 4.41 H new ATOM 0 HB THR A 83 -17.754 -14.632 31.102 1.00 15.22 H new ATOM 0 HG1 THR A 83 -18.750 -14.936 29.133 1.00 71.11 H new ATOM 0 HG21 THR A 83 -16.388 -12.738 30.291 1.00 51.21 H new ATOM 0 HG22 THR A 83 -15.421 -13.886 31.248 1.00 51.21 H new ATOM 0 HG23 THR A 83 -15.298 -13.882 29.473 1.00 51.21 H new ATOM 1310 N ASP A 84 -18.096 -17.665 29.086 1.00 74.22 N ATOM 1311 CA ASP A 84 -19.109 -18.711 28.912 1.00 1.14 C ATOM 1312 C ASP A 84 -18.773 -19.976 29.728 1.00 11.23 C ATOM 1313 O ASP A 84 -19.663 -20.655 30.243 1.00 63.24 O ATOM 1314 CB ASP A 84 -19.205 -19.063 27.421 1.00 32.33 C ATOM 1315 CG ASP A 84 -20.163 -20.209 27.144 1.00 62.22 C ATOM 1316 OD1 ASP A 84 -21.376 -19.951 27.009 1.00 4.21 O ATOM 1317 OD2 ASP A 84 -19.701 -21.369 27.057 1.00 30.04 O ATOM 0 H ASP A 84 -17.692 -17.336 28.209 1.00 74.22 H new ATOM 0 HA ASP A 84 -20.063 -18.332 29.277 1.00 1.14 H new ATOM 0 HB2 ASP A 84 -19.529 -18.183 26.865 1.00 32.33 H new ATOM 0 HB3 ASP A 84 -18.214 -19.327 27.051 1.00 32.33 H new ATOM 1322 N GLY A 85 -17.482 -20.281 29.840 1.00 75.34 N ATOM 1323 CA GLY A 85 -17.046 -21.506 30.503 1.00 72.31 C ATOM 1324 C GLY A 85 -16.322 -22.454 29.556 1.00 14.21 C ATOM 1325 O GLY A 85 -15.451 -23.215 29.974 1.00 43.25 O ATOM 0 H GLY A 85 -16.724 -19.700 29.482 1.00 75.34 H new ATOM 0 HA2 GLY A 85 -16.386 -21.252 31.332 1.00 72.31 H new ATOM 0 HA3 GLY A 85 -17.912 -22.013 30.929 1.00 72.31 H new ATOM 1329 N SER A 86 -16.681 -22.404 28.274 1.00 72.00 N ATOM 1330 CA SER A 86 -16.038 -23.242 27.247 1.00 72.31 C ATOM 1331 C SER A 86 -14.547 -22.904 27.076 1.00 62.33 C ATOM 1332 O SER A 86 -14.131 -21.757 27.268 1.00 24.32 O ATOM 1333 CB SER A 86 -16.744 -23.069 25.896 1.00 61.44 C ATOM 1334 OG SER A 86 -18.092 -23.523 25.939 1.00 15.40 O ATOM 0 H SER A 86 -17.414 -21.793 27.915 1.00 72.00 H new ATOM 0 HA SER A 86 -16.121 -24.275 27.585 1.00 72.31 H new ATOM 0 HB2 SER A 86 -16.724 -22.018 25.608 1.00 61.44 H new ATOM 0 HB3 SER A 86 -16.200 -23.620 25.129 1.00 61.44 H new ATOM 0 HG SER A 86 -18.662 -22.819 26.313 1.00 15.40 H new ATOM 1340 N GLU A 87 -13.751 -23.910 26.704 1.00 20.14 N ATOM 1341 CA GLU A 87 -12.318 -23.717 26.439 1.00 4.41 C ATOM 1342 C GLU A 87 -11.907 -24.311 25.079 1.00 61.33 C ATOM 1343 O GLU A 87 -12.659 -25.068 24.459 1.00 72.24 O ATOM 1344 CB GLU A 87 -11.459 -24.335 27.559 1.00 40.23 C ATOM 1345 CG GLU A 87 -11.630 -25.845 27.745 1.00 33.34 C ATOM 1346 CD GLU A 87 -12.896 -26.222 28.505 1.00 50.03 C ATOM 1347 OE1 GLU A 87 -12.854 -26.253 29.754 1.00 31.21 O ATOM 1348 OE2 GLU A 87 -13.934 -26.495 27.863 1.00 41.32 O ATOM 0 H GLU A 87 -14.073 -24.870 26.579 1.00 20.14 H new ATOM 0 HA GLU A 87 -12.142 -22.642 26.411 1.00 4.41 H new ATOM 0 HB2 GLU A 87 -10.410 -24.126 27.349 1.00 40.23 H new ATOM 0 HB3 GLU A 87 -11.701 -23.838 28.499 1.00 40.23 H new ATOM 0 HG2 GLU A 87 -11.646 -26.325 26.766 1.00 33.34 H new ATOM 0 HG3 GLU A 87 -10.764 -26.238 28.278 1.00 33.34 H new ATOM 1355 N GLU A 88 -10.703 -23.953 24.631 1.00 12.23 N ATOM 1356 CA GLU A 88 -10.151 -24.428 23.351 1.00 71.34 C ATOM 1357 C GLU A 88 -8.646 -24.100 23.267 1.00 14.23 C ATOM 1358 O GLU A 88 -8.129 -23.342 24.081 1.00 74.03 O ATOM 1359 CB GLU A 88 -10.912 -23.775 22.178 1.00 65.15 C ATOM 1360 CG GLU A 88 -10.413 -24.167 20.784 1.00 32.14 C ATOM 1361 CD GLU A 88 -10.644 -25.630 20.444 1.00 52.23 C ATOM 1362 OE1 GLU A 88 -9.780 -26.468 20.781 1.00 62.05 O ATOM 1363 OE2 GLU A 88 -11.680 -25.943 19.819 1.00 1.32 O ATOM 0 H GLU A 88 -10.080 -23.327 25.141 1.00 12.23 H new ATOM 0 HA GLU A 88 -10.272 -25.509 23.289 1.00 71.34 H new ATOM 0 HB2 GLU A 88 -11.967 -24.039 22.257 1.00 65.15 H new ATOM 0 HB3 GLU A 88 -10.846 -22.692 22.280 1.00 65.15 H new ATOM 0 HG2 GLU A 88 -10.913 -23.547 20.040 1.00 32.14 H new ATOM 0 HG3 GLU A 88 -9.347 -23.951 20.715 1.00 32.14 H new ATOM 1370 N ARG A 89 -7.944 -24.679 22.296 1.00 72.11 N ATOM 1371 CA ARG A 89 -6.512 -24.403 22.094 1.00 51.51 C ATOM 1372 C ARG A 89 -6.217 -24.032 20.630 1.00 14.04 C ATOM 1373 O ARG A 89 -6.939 -24.443 19.720 1.00 61.41 O ATOM 1374 CB ARG A 89 -5.684 -25.630 22.506 1.00 64.42 C ATOM 1375 CG ARG A 89 -6.138 -26.920 21.827 1.00 53.31 C ATOM 1376 CD ARG A 89 -5.309 -28.126 22.252 1.00 33.14 C ATOM 1377 NE ARG A 89 -3.920 -28.034 21.805 1.00 44.01 N ATOM 1378 CZ ARG A 89 -3.474 -28.557 20.694 1.00 44.21 C ATOM 1379 NH1 ARG A 89 -4.287 -29.138 19.867 1.00 11.21 N ATOM 1380 NH2 ARG A 89 -2.219 -28.479 20.396 1.00 11.40 N ATOM 0 H ARG A 89 -8.339 -25.345 21.632 1.00 72.11 H new ATOM 0 HA ARG A 89 -6.236 -23.553 22.717 1.00 51.51 H new ATOM 0 HB2 ARG A 89 -4.636 -25.450 22.265 1.00 64.42 H new ATOM 0 HB3 ARG A 89 -5.746 -25.755 23.587 1.00 64.42 H new ATOM 0 HG2 ARG A 89 -7.186 -27.102 22.064 1.00 53.31 H new ATOM 0 HG3 ARG A 89 -6.072 -26.800 20.746 1.00 53.31 H new ATOM 0 HD2 ARG A 89 -5.333 -28.215 23.338 1.00 33.14 H new ATOM 0 HD3 ARG A 89 -5.758 -29.033 21.848 1.00 33.14 H new ATOM 0 HE ARG A 89 -3.259 -27.531 22.397 1.00 44.01 H new ATOM 0 HH11 ARG A 89 -5.283 -29.189 20.082 1.00 11.21 H new ATOM 0 HH12 ARG A 89 -3.931 -29.544 19.002 1.00 11.21 H new ATOM 0 HH21 ARG A 89 -1.573 -28.008 21.029 1.00 11.40 H new ATOM 0 HH22 ARG A 89 -1.875 -28.889 19.528 1.00 11.40 H new ATOM 1394 N PHE A 90 -5.163 -23.243 20.405 1.00 62.10 N ATOM 1395 CA PHE A 90 -4.753 -22.875 19.040 1.00 44.42 C ATOM 1396 C PHE A 90 -3.224 -22.955 18.869 1.00 12.22 C ATOM 1397 O PHE A 90 -2.463 -22.520 19.735 1.00 24.55 O ATOM 1398 CB PHE A 90 -5.265 -21.468 18.675 1.00 64.11 C ATOM 1399 CG PHE A 90 -4.636 -20.336 19.458 1.00 13.13 C ATOM 1400 CD1 PHE A 90 -4.932 -20.147 20.801 1.00 64.51 C ATOM 1401 CD2 PHE A 90 -3.758 -19.454 18.842 1.00 54.45 C ATOM 1402 CE1 PHE A 90 -4.366 -19.104 21.510 1.00 33.12 C ATOM 1403 CE2 PHE A 90 -3.189 -18.411 19.548 1.00 44.11 C ATOM 1404 CZ PHE A 90 -3.494 -18.235 20.883 1.00 41.32 C ATOM 0 H PHE A 90 -4.579 -22.847 21.142 1.00 62.10 H new ATOM 0 HA PHE A 90 -5.203 -23.595 18.357 1.00 44.42 H new ATOM 0 HB2 PHE A 90 -5.088 -21.298 17.613 1.00 64.11 H new ATOM 0 HB3 PHE A 90 -6.344 -21.440 18.827 1.00 64.11 H new ATOM 0 HD1 PHE A 90 -5.612 -20.823 21.298 1.00 64.51 H new ATOM 0 HD2 PHE A 90 -3.517 -19.585 17.797 1.00 54.45 H new ATOM 0 HE1 PHE A 90 -4.606 -18.968 22.554 1.00 33.12 H new ATOM 0 HE2 PHE A 90 -2.506 -17.734 19.056 1.00 44.11 H new ATOM 0 HZ PHE A 90 -3.052 -17.420 21.436 1.00 41.32 H new ATOM 1414 N SER A 91 -2.783 -23.521 17.747 1.00 10.10 N ATOM 1415 CA SER A 91 -1.349 -23.677 17.462 1.00 61.44 C ATOM 1416 C SER A 91 -0.760 -22.425 16.801 1.00 4.21 C ATOM 1417 O SER A 91 -0.848 -22.253 15.586 1.00 62.44 O ATOM 1418 CB SER A 91 -1.109 -24.892 16.554 1.00 3.54 C ATOM 1419 OG SER A 91 -1.546 -26.099 17.162 1.00 70.21 O ATOM 0 H SER A 91 -3.396 -23.881 17.016 1.00 10.10 H new ATOM 0 HA SER A 91 -0.847 -23.829 18.418 1.00 61.44 H new ATOM 0 HB2 SER A 91 -1.635 -24.750 15.610 1.00 3.54 H new ATOM 0 HB3 SER A 91 -0.047 -24.967 16.320 1.00 3.54 H new ATOM 0 HG SER A 91 -0.768 -26.647 17.397 1.00 70.21 H new ATOM 1425 N TYR A 92 -0.159 -21.554 17.612 1.00 74.44 N ATOM 1426 CA TYR A 92 0.495 -20.331 17.113 1.00 23.13 C ATOM 1427 C TYR A 92 1.555 -20.646 16.038 1.00 10.14 C ATOM 1428 O TYR A 92 1.826 -19.829 15.150 1.00 41.12 O ATOM 1429 CB TYR A 92 1.147 -19.566 18.280 1.00 33.13 C ATOM 1430 CG TYR A 92 2.265 -20.332 18.976 1.00 70.24 C ATOM 1431 CD1 TYR A 92 1.980 -21.359 19.869 1.00 35.34 C ATOM 1432 CD2 TYR A 92 3.605 -20.031 18.732 1.00 44.21 C ATOM 1433 CE1 TYR A 92 2.991 -22.062 20.496 1.00 44.54 C ATOM 1434 CE2 TYR A 92 4.620 -20.730 19.358 1.00 52.01 C ATOM 1435 CZ TYR A 92 4.308 -21.744 20.237 1.00 13.23 C ATOM 1436 OH TYR A 92 5.320 -22.441 20.860 1.00 3.44 O ATOM 0 H TYR A 92 -0.108 -21.669 18.624 1.00 74.44 H new ATOM 0 HA TYR A 92 -0.274 -19.711 16.653 1.00 23.13 H new ATOM 0 HB2 TYR A 92 1.545 -18.623 17.905 1.00 33.13 H new ATOM 0 HB3 TYR A 92 0.379 -19.319 19.013 1.00 33.13 H new ATOM 0 HD1 TYR A 92 0.951 -21.612 20.076 1.00 35.34 H new ATOM 0 HD2 TYR A 92 3.854 -19.238 18.042 1.00 44.21 H new ATOM 0 HE1 TYR A 92 2.751 -22.857 21.186 1.00 44.54 H new ATOM 0 HE2 TYR A 92 5.652 -20.483 19.159 1.00 52.01 H new ATOM 0 HH TYR A 92 6.187 -22.092 20.566 1.00 3.44 H new ATOM 1446 N LYS A 93 2.148 -21.836 16.138 1.00 33.25 N ATOM 1447 CA LYS A 93 3.165 -22.300 15.184 1.00 62.12 C ATOM 1448 C LYS A 93 2.571 -22.588 13.791 1.00 1.42 C ATOM 1449 O LYS A 93 3.096 -22.121 12.778 1.00 24.22 O ATOM 1450 CB LYS A 93 3.869 -23.554 15.734 1.00 42.13 C ATOM 1451 CG LYS A 93 2.906 -24.656 16.182 1.00 70.44 C ATOM 1452 CD LYS A 93 3.636 -25.887 16.722 1.00 45.35 C ATOM 1453 CE LYS A 93 4.420 -26.613 15.634 1.00 51.23 C ATOM 1454 NZ LYS A 93 5.055 -27.856 16.148 1.00 74.54 N ATOM 0 H LYS A 93 1.940 -22.506 16.879 1.00 33.25 H new ATOM 0 HA LYS A 93 3.892 -21.497 15.064 1.00 62.12 H new ATOM 0 HB2 LYS A 93 4.532 -23.953 14.966 1.00 42.13 H new ATOM 0 HB3 LYS A 93 4.496 -23.267 16.578 1.00 42.13 H new ATOM 0 HG2 LYS A 93 2.243 -24.263 16.953 1.00 70.44 H new ATOM 0 HG3 LYS A 93 2.278 -24.950 15.341 1.00 70.44 H new ATOM 0 HD2 LYS A 93 4.317 -25.584 17.518 1.00 45.35 H new ATOM 0 HD3 LYS A 93 2.913 -26.572 17.165 1.00 45.35 H new ATOM 0 HE2 LYS A 93 3.753 -26.860 14.808 1.00 51.23 H new ATOM 0 HE3 LYS A 93 5.188 -25.950 15.236 1.00 51.23 H new ATOM 0 HZ1 LYS A 93 5.579 -28.322 15.380 1.00 74.54 H new ATOM 0 HZ2 LYS A 93 5.711 -27.618 16.919 1.00 74.54 H new ATOM 0 HZ3 LYS A 93 4.320 -28.499 16.505 1.00 74.54 H new ATOM 1468 N LYS A 94 1.470 -23.344 13.738 1.00 73.25 N ATOM 1469 CA LYS A 94 0.861 -23.724 12.455 1.00 70.21 C ATOM 1470 C LYS A 94 0.035 -22.573 11.856 1.00 63.54 C ATOM 1471 O LYS A 94 -1.198 -22.593 11.888 1.00 2.42 O ATOM 1472 CB LYS A 94 -0.016 -24.983 12.604 1.00 35.30 C ATOM 1473 CG LYS A 94 0.731 -26.224 13.103 1.00 74.24 C ATOM 1474 CD LYS A 94 -0.044 -27.513 12.808 1.00 2.30 C ATOM 1475 CE LYS A 94 -1.423 -27.536 13.466 1.00 61.01 C ATOM 1476 NZ LYS A 94 -1.352 -27.776 14.934 1.00 65.30 N ATOM 0 H LYS A 94 0.984 -23.703 14.560 1.00 73.25 H new ATOM 0 HA LYS A 94 1.678 -23.949 11.770 1.00 70.21 H new ATOM 0 HB2 LYS A 94 -0.830 -24.763 13.294 1.00 35.30 H new ATOM 0 HB3 LYS A 94 -0.469 -25.211 11.639 1.00 35.30 H new ATOM 0 HG2 LYS A 94 1.711 -26.273 12.629 1.00 74.24 H new ATOM 0 HG3 LYS A 94 0.900 -26.139 14.176 1.00 74.24 H new ATOM 0 HD2 LYS A 94 -0.159 -27.624 11.730 1.00 2.30 H new ATOM 0 HD3 LYS A 94 0.535 -28.368 13.157 1.00 2.30 H new ATOM 0 HE2 LYS A 94 -1.926 -26.587 13.280 1.00 61.01 H new ATOM 0 HE3 LYS A 94 -2.030 -28.314 13.003 1.00 61.01 H new ATOM 0 HZ1 LYS A 94 -1.816 -28.679 15.161 1.00 65.30 H new ATOM 0 HZ2 LYS A 94 -0.356 -27.814 15.232 1.00 65.30 H new ATOM 0 HZ3 LYS A 94 -1.834 -27.003 15.436 1.00 65.30 H new ATOM 1490 N CYS A 95 0.734 -21.566 11.332 1.00 64.44 N ATOM 1491 CA CYS A 95 0.095 -20.408 10.688 1.00 63.11 C ATOM 1492 C CYS A 95 1.148 -19.424 10.161 1.00 1.24 C ATOM 1493 O CYS A 95 1.188 -18.258 10.564 1.00 12.12 O ATOM 1494 CB CYS A 95 -0.855 -19.686 11.661 1.00 21.41 C ATOM 1495 SG CYS A 95 -0.066 -19.105 13.183 1.00 73.11 S ATOM 0 H CYS A 95 1.753 -21.525 11.339 1.00 64.44 H new ATOM 0 HA CYS A 95 -0.488 -20.782 9.847 1.00 63.11 H new ATOM 0 HB2 CYS A 95 -1.301 -18.833 11.149 1.00 21.41 H new ATOM 0 HB3 CYS A 95 -1.669 -20.362 11.923 1.00 21.41 H new ATOM 0 HG CYS A 95 0.646 -20.064 13.696 1.00 73.11 H new ATOM 1501 N VAL A 96 2.019 -19.906 9.276 1.00 44.20 N ATOM 1502 CA VAL A 96 3.049 -19.064 8.653 1.00 40.43 C ATOM 1503 C VAL A 96 2.663 -18.714 7.206 1.00 4.22 C ATOM 1504 O VAL A 96 2.311 -17.576 6.900 1.00 2.32 O ATOM 1505 CB VAL A 96 4.430 -19.774 8.656 1.00 10.31 C ATOM 1506 CG1 VAL A 96 5.514 -18.863 8.081 1.00 72.01 C ATOM 1507 CG2 VAL A 96 4.803 -20.245 10.064 1.00 2.31 C ATOM 0 H VAL A 96 2.035 -20.879 8.971 1.00 44.20 H new ATOM 0 HA VAL A 96 3.121 -18.148 9.240 1.00 40.43 H new ATOM 0 HB VAL A 96 4.355 -20.654 8.017 1.00 10.31 H new ATOM 0 HG11 VAL A 96 6.472 -19.384 8.094 1.00 72.01 H new ATOM 0 HG12 VAL A 96 5.260 -18.597 7.055 1.00 72.01 H new ATOM 0 HG13 VAL A 96 5.585 -17.957 8.683 1.00 72.01 H new ATOM 0 HG21 VAL A 96 5.774 -20.739 10.037 1.00 2.31 H new ATOM 0 HG22 VAL A 96 4.851 -19.387 10.734 1.00 2.31 H new ATOM 0 HG23 VAL A 96 4.050 -20.946 10.425 1.00 2.31 H new ATOM 1517 N LEU A 97 2.724 -19.711 6.327 1.00 35.34 N ATOM 1518 CA LEU A 97 2.335 -19.554 4.922 1.00 22.32 C ATOM 1519 C LEU A 97 1.484 -20.739 4.459 1.00 12.23 C ATOM 1520 O LEU A 97 1.611 -21.851 4.977 1.00 73.40 O ATOM 1521 CB LEU A 97 3.576 -19.424 4.023 1.00 63.32 C ATOM 1522 CG LEU A 97 4.337 -18.095 4.141 1.00 54.44 C ATOM 1523 CD1 LEU A 97 5.590 -18.107 3.271 1.00 34.52 C ATOM 1524 CD2 LEU A 97 3.428 -16.924 3.767 1.00 24.23 C ATOM 0 H LEU A 97 3.043 -20.650 6.565 1.00 35.34 H new ATOM 0 HA LEU A 97 1.744 -18.642 4.841 1.00 22.32 H new ATOM 0 HB2 LEU A 97 4.261 -20.238 4.258 1.00 63.32 H new ATOM 0 HB3 LEU A 97 3.268 -19.556 2.986 1.00 63.32 H new ATOM 0 HG LEU A 97 4.649 -17.970 5.178 1.00 54.44 H new ATOM 0 HD11 LEU A 97 6.112 -17.155 3.371 1.00 34.52 H new ATOM 0 HD12 LEU A 97 6.247 -18.916 3.590 1.00 34.52 H new ATOM 0 HD13 LEU A 97 5.308 -18.258 2.229 1.00 34.52 H new ATOM 0 HD21 LEU A 97 3.983 -15.990 3.856 1.00 24.23 H new ATOM 0 HD22 LEU A 97 3.083 -17.045 2.740 1.00 24.23 H new ATOM 0 HD23 LEU A 97 2.569 -16.901 4.438 1.00 24.23 H new ATOM 1536 N GLU A 98 0.607 -20.498 3.488 1.00 33.52 N ATOM 1537 CA GLU A 98 -0.236 -21.560 2.937 1.00 23.41 C ATOM 1538 C GLU A 98 0.361 -22.141 1.651 1.00 44.23 C ATOM 1539 O GLU A 98 1.298 -21.583 1.073 1.00 74.42 O ATOM 1540 CB GLU A 98 -1.649 -21.040 2.645 1.00 41.51 C ATOM 1541 CG GLU A 98 -2.407 -20.548 3.871 1.00 11.40 C ATOM 1542 CD GLU A 98 -3.832 -20.142 3.535 1.00 73.41 C ATOM 1543 OE1 GLU A 98 -4.730 -21.010 3.597 1.00 71.32 O ATOM 1544 OE2 GLU A 98 -4.058 -18.963 3.192 1.00 70.41 O ATOM 0 H GLU A 98 0.460 -19.581 3.066 1.00 33.52 H new ATOM 0 HA GLU A 98 -0.287 -22.348 3.688 1.00 23.41 H new ATOM 0 HB2 GLU A 98 -1.581 -20.225 1.924 1.00 41.51 H new ATOM 0 HB3 GLU A 98 -2.225 -21.836 2.173 1.00 41.51 H new ATOM 0 HG2 GLU A 98 -2.423 -21.333 4.627 1.00 11.40 H new ATOM 0 HG3 GLU A 98 -1.881 -19.698 4.305 1.00 11.40 H new ATOM 1551 N HIS A 99 -0.187 -23.270 1.214 1.00 63.13 N ATOM 1552 CA HIS A 99 0.190 -23.879 -0.066 1.00 4.33 C ATOM 1553 C HIS A 99 -0.805 -23.462 -1.164 1.00 43.21 C ATOM 1554 O HIS A 99 -0.740 -23.930 -2.298 1.00 41.40 O ATOM 1555 CB HIS A 99 0.205 -25.409 0.069 1.00 33.42 C ATOM 1556 CG HIS A 99 0.742 -25.905 1.380 1.00 14.04 C ATOM 1557 ND1 HIS A 99 1.986 -25.567 1.867 1.00 63.54 N ATOM 1558 CD2 HIS A 99 0.183 -26.705 2.318 1.00 63.55 C ATOM 1559 CE1 HIS A 99 2.167 -26.133 3.043 1.00 12.14 C ATOM 1560 NE2 HIS A 99 1.090 -26.828 3.340 1.00 32.25 N ATOM 0 H HIS A 99 -0.899 -23.788 1.728 1.00 63.13 H new ATOM 0 HA HIS A 99 1.186 -23.533 -0.342 1.00 4.33 H new ATOM 0 HB2 HIS A 99 -0.810 -25.784 -0.060 1.00 33.42 H new ATOM 0 HB3 HIS A 99 0.805 -25.828 -0.739 1.00 33.42 H new ATOM 0 HD2 HIS A 99 -0.795 -27.161 2.271 1.00 63.55 H new ATOM 0 HE1 HIS A 99 3.050 -26.042 3.659 1.00 12.14 H new ATOM 0 HE2 HIS A 99 0.952 -27.371 4.193 1.00 32.25 H new ATOM 1569 N HIS A 100 -1.700 -22.542 -0.808 1.00 73.24 N ATOM 1570 CA HIS A 100 -2.848 -22.168 -1.644 1.00 32.24 C ATOM 1571 C HIS A 100 -2.435 -21.628 -3.029 1.00 23.32 C ATOM 1572 O HIS A 100 -3.092 -21.915 -4.029 1.00 64.24 O ATOM 1573 CB HIS A 100 -3.697 -21.129 -0.894 1.00 51.13 C ATOM 1574 CG HIS A 100 -5.003 -20.815 -1.559 1.00 2.34 C ATOM 1575 ND1 HIS A 100 -5.352 -19.549 -1.973 1.00 21.15 N ATOM 1576 CD2 HIS A 100 -6.057 -21.610 -1.864 1.00 73.34 C ATOM 1577 CE1 HIS A 100 -6.559 -19.576 -2.501 1.00 12.34 C ATOM 1578 NE2 HIS A 100 -7.006 -20.813 -2.449 1.00 3.12 N ATOM 0 H HIS A 100 -1.652 -22.030 0.073 1.00 73.24 H new ATOM 0 HA HIS A 100 -3.430 -23.071 -1.831 1.00 32.24 H new ATOM 0 HB2 HIS A 100 -3.893 -21.494 0.114 1.00 51.13 H new ATOM 0 HB3 HIS A 100 -3.122 -20.209 -0.794 1.00 51.13 H new ATOM 0 HD2 HIS A 100 -6.135 -22.671 -1.681 1.00 73.34 H new ATOM 0 HE1 HIS A 100 -7.091 -18.728 -2.907 1.00 12.34 H new ATOM 0 HE2 HIS A 100 -7.914 -21.128 -2.790 1.00 3.12 H new ATOM 1587 N HIS A 101 -1.358 -20.841 -3.085 1.00 31.40 N ATOM 1588 CA HIS A 101 -0.887 -20.271 -4.359 1.00 60.52 C ATOM 1589 C HIS A 101 -0.062 -21.288 -5.179 1.00 72.43 C ATOM 1590 O HIS A 101 0.244 -21.049 -6.347 1.00 3.30 O ATOM 1591 CB HIS A 101 -0.057 -19.003 -4.101 1.00 2.03 C ATOM 1592 CG HIS A 101 0.230 -18.199 -5.341 1.00 2.40 C ATOM 1593 ND1 HIS A 101 1.369 -18.356 -6.101 1.00 44.32 N ATOM 1594 CD2 HIS A 101 -0.487 -17.223 -5.953 1.00 2.40 C ATOM 1595 CE1 HIS A 101 1.343 -17.514 -7.113 1.00 64.01 C ATOM 1596 NE2 HIS A 101 0.231 -16.818 -7.050 1.00 2.42 N ATOM 0 H HIS A 101 -0.797 -20.583 -2.273 1.00 31.40 H new ATOM 0 HA HIS A 101 -1.769 -20.013 -4.946 1.00 60.52 H new ATOM 0 HB2 HIS A 101 -0.586 -18.373 -3.386 1.00 2.03 H new ATOM 0 HB3 HIS A 101 0.888 -19.287 -3.637 1.00 2.03 H new ATOM 0 HD2 HIS A 101 -1.444 -16.837 -5.636 1.00 2.40 H new ATOM 0 HE1 HIS A 101 2.108 -17.413 -7.868 1.00 64.01 H new ATOM 0 HE2 HIS A 101 -0.053 -16.094 -7.710 1.00 2.42 H new ATOM 1605 N HIS A 102 0.298 -22.417 -4.565 1.00 1.31 N ATOM 1606 CA HIS A 102 1.077 -23.465 -5.247 1.00 44.05 C ATOM 1607 C HIS A 102 0.705 -24.866 -4.723 1.00 43.21 C ATOM 1608 O HIS A 102 1.230 -25.329 -3.706 1.00 0.42 O ATOM 1609 CB HIS A 102 2.589 -23.202 -5.099 1.00 64.30 C ATOM 1610 CG HIS A 102 3.050 -23.007 -3.680 1.00 64.34 C ATOM 1611 ND1 HIS A 102 3.033 -21.787 -3.039 1.00 5.51 N ATOM 1612 CD2 HIS A 102 3.544 -23.888 -2.777 1.00 73.42 C ATOM 1613 CE1 HIS A 102 3.488 -21.926 -1.810 1.00 51.25 C ATOM 1614 NE2 HIS A 102 3.804 -23.189 -1.624 1.00 24.20 N ATOM 0 H HIS A 102 0.065 -22.634 -3.596 1.00 1.31 H new ATOM 0 HA HIS A 102 0.829 -23.433 -6.308 1.00 44.05 H new ATOM 0 HB2 HIS A 102 3.135 -24.039 -5.534 1.00 64.30 H new ATOM 0 HB3 HIS A 102 2.850 -22.316 -5.678 1.00 64.30 H new ATOM 0 HD2 HIS A 102 3.704 -24.944 -2.935 1.00 73.42 H new ATOM 0 HE1 HIS A 102 3.585 -21.137 -1.079 1.00 51.25 H new ATOM 0 HE2 HIS A 102 4.181 -23.585 -0.763 1.00 24.20 H new ATOM 1623 N HIS A 103 -0.206 -25.535 -5.424 1.00 63.10 N ATOM 1624 CA HIS A 103 -0.741 -26.822 -4.968 1.00 54.31 C ATOM 1625 C HIS A 103 -1.237 -27.673 -6.149 1.00 2.11 C ATOM 1626 O HIS A 103 -2.164 -27.283 -6.861 1.00 65.25 O ATOM 1627 CB HIS A 103 -1.886 -26.576 -3.972 1.00 54.42 C ATOM 1628 CG HIS A 103 -2.443 -27.820 -3.348 1.00 22.30 C ATOM 1629 ND1 HIS A 103 -2.056 -28.273 -2.107 1.00 42.13 N ATOM 1630 CD2 HIS A 103 -3.381 -28.696 -3.785 1.00 33.11 C ATOM 1631 CE1 HIS A 103 -2.723 -29.365 -1.807 1.00 53.24 C ATOM 1632 NE2 HIS A 103 -3.535 -29.646 -2.805 1.00 2.12 N ATOM 0 H HIS A 103 -0.592 -25.210 -6.311 1.00 63.10 H new ATOM 0 HA HIS A 103 0.060 -27.374 -4.476 1.00 54.31 H new ATOM 0 HB2 HIS A 103 -1.528 -25.917 -3.181 1.00 54.42 H new ATOM 0 HB3 HIS A 103 -2.691 -26.050 -4.485 1.00 54.42 H new ATOM 0 HD2 HIS A 103 -3.908 -28.655 -4.727 1.00 33.11 H new ATOM 0 HE1 HIS A 103 -2.622 -29.936 -0.896 1.00 53.24 H new ATOM 0 HE2 HIS A 103 -4.174 -30.440 -2.844 1.00 2.12 H new ATOM 1641 N HIS A 104 -0.618 -28.838 -6.346 1.00 70.02 N ATOM 1642 CA HIS A 104 -1.039 -29.785 -7.390 1.00 64.02 C ATOM 1643 C HIS A 104 -0.886 -31.249 -6.914 1.00 42.03 C ATOM 1644 O HIS A 104 -1.889 -31.829 -6.442 1.00 38.99 O ATOM 1645 CB HIS A 104 -0.262 -29.537 -8.702 1.00 33.11 C ATOM 1646 CG HIS A 104 1.234 -29.591 -8.566 1.00 63.33 C ATOM 1647 ND1 HIS A 104 1.996 -30.648 -9.018 1.00 52.12 N ATOM 1648 CD2 HIS A 104 2.109 -28.711 -8.027 1.00 13.12 C ATOM 1649 CE1 HIS A 104 3.267 -30.417 -8.762 1.00 63.23 C ATOM 1650 NE2 HIS A 104 3.365 -29.250 -8.162 1.00 73.02 N ATOM 1651 OXT HIS A 104 0.233 -31.802 -6.982 1.00 38.99 O ATOM 0 H HIS A 104 0.181 -29.153 -5.795 1.00 70.02 H new ATOM 0 HA HIS A 104 -2.097 -29.616 -7.590 1.00 64.02 H new ATOM 0 HB2 HIS A 104 -0.573 -30.278 -9.438 1.00 33.11 H new ATOM 0 HB3 HIS A 104 -0.542 -28.560 -9.095 1.00 33.11 H new ATOM 0 HD2 HIS A 104 1.865 -27.761 -7.575 1.00 13.12 H new ATOM 0 HE1 HIS A 104 4.089 -31.074 -9.004 1.00 63.23 H new ATOM 0 HE2 HIS A 104 4.233 -28.816 -7.848 1.00 73.02 H new TER 1660 HIS A 104