USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 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 115 TYR OH : rot -165:sc= 1.14 USER MOD Set 1.2: A 116 ASN : amide:sc= -8.26! C(o=-20!,f=-16!) USER MOD Set 1.3: A 118 LYS NZ :NH3+ 158:sc= -0.401 (180deg=0) USER MOD Set 1.4: A 119 HIS : no HE2:sc= -12.2! C(o=-20!,f=-16!) USER MOD Set 2.1: A 73 SER OG : rot 130:sc= -0.352 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0.00959 USER MOD Set 3.1: A 5 TYR OH : rot 0:sc= 0.385 USER MOD Set 3.2: A 55 GLN : amide:sc= 0 X(o=0.4,f=0.036) USER MOD Set 3.3: A 57 TYR OH : rot -80:sc= 0.0156 USER MOD Set 4.1: A 7 ASN : amide:sc= -3.43 X(o=-5,f=-5.1!) USER MOD Set 4.2: A 10 THR OG1 : rot -160:sc= -1.59! USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 47:sc= -0.54 USER MOD Single : A 14 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.8!) USER MOD Single : A 18 MET CE :methyl -125:sc= 0 (180deg=-0.328) USER MOD Single : A 26 LYS NZ :NH3+ 150:sc= 0.361 (180deg=0.0867) USER MOD Single : A 37 TYR OH : rot 30:sc= -1.13! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 40 MET CE :methyl -105:sc= -8.49! (180deg=-12!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 28:sc= 0.832 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 13:sc= -2.4! USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.703 7.152 31.179 1.00 3.92 N ATOM 2 CA PRO A 1 2.787 7.028 30.011 1.00 3.44 C ATOM 3 C PRO A 1 1.623 8.016 30.140 1.00 3.50 C ATOM 4 O PRO A 1 0.486 7.629 30.318 1.00 4.94 O ATOM 5 CB PRO A 1 2.289 5.590 30.087 1.00 2.00 C ATOM 6 CG PRO A 1 2.426 5.216 31.525 1.00 4.99 C ATOM 7 CD PRO A 1 3.598 5.990 32.066 1.00 3.38 C ATOM 0 H2 PRO A 1 3.481 8.001 31.699 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.664 7.246 30.851 1.00 3.92 H new ATOM 0 HA PRO A 1 3.274 7.251 29.062 1.00 3.44 H new ATOM 0 HB2 PRO A 1 1.254 5.512 29.755 1.00 2.00 H new ATOM 0 HB3 PRO A 1 2.879 4.932 29.449 1.00 2.00 H new ATOM 0 HG2 PRO A 1 1.516 5.457 32.075 1.00 4.99 H new ATOM 0 HG3 PRO A 1 2.589 4.143 31.632 1.00 4.99 H new ATOM 0 HD2 PRO A 1 3.432 6.292 33.100 1.00 3.38 H new ATOM 0 HD3 PRO A 1 4.510 5.394 32.051 1.00 3.38 H new ATOM 17 N THR A 2 1.901 9.287 30.054 1.00 3.08 N ATOM 18 CA THR A 2 0.811 10.298 30.174 1.00 2.08 C ATOM 19 C THR A 2 0.741 11.156 28.906 1.00 2.52 C ATOM 20 O THR A 2 1.750 11.537 28.346 1.00 2.28 O ATOM 21 CB THR A 2 1.199 11.152 31.382 1.00 3.47 C ATOM 22 OG1 THR A 2 1.905 10.350 32.317 1.00 3.73 O ATOM 23 CG2 THR A 2 -0.063 11.714 32.039 1.00 3.09 C ATOM 0 H THR A 2 2.835 9.670 29.906 1.00 3.08 H new ATOM 0 HA THR A 2 -0.170 9.838 30.297 1.00 2.08 H new ATOM 0 HB THR A 2 1.833 11.977 31.057 1.00 3.47 H new ATOM 0 HG1 THR A 2 2.156 10.895 33.092 1.00 3.73 H new ATOM 0 HG21 THR A 2 0.215 12.322 32.900 1.00 3.09 H new ATOM 0 HG22 THR A 2 -0.605 12.329 31.320 1.00 3.09 H new ATOM 0 HG23 THR A 2 -0.700 10.892 32.366 1.00 3.09 H new ATOM 31 N VAL A 3 -0.444 11.462 28.450 1.00 10.00 N ATOM 32 CA VAL A 3 -0.580 12.295 27.219 1.00 10.00 C ATOM 33 C VAL A 3 -1.462 13.514 27.506 1.00 10.00 C ATOM 34 O VAL A 3 -2.569 13.388 27.985 1.00 10.00 O ATOM 35 CB VAL A 3 -1.242 11.373 26.194 1.00 10.00 C ATOM 36 CG1 VAL A 3 -2.694 11.113 26.595 1.00 10.00 C ATOM 37 CG2 VAL A 3 -1.202 12.033 24.814 1.00 10.00 C ATOM 0 H VAL A 3 -1.324 11.171 28.876 1.00 10.00 H new ATOM 0 HA VAL A 3 0.377 12.676 26.862 1.00 10.00 H new ATOM 0 HB VAL A 3 -0.704 10.426 26.160 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -3.162 10.456 25.862 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.721 10.640 27.576 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -3.236 12.058 26.633 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.674 11.376 24.083 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -1.738 12.982 24.849 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.166 12.212 24.526 1.00 10.00 H new ATOM 47 N GLU A 4 -0.974 14.693 27.227 1.00 10.00 N ATOM 48 CA GLU A 4 -1.784 15.918 27.500 1.00 10.00 C ATOM 49 C GLU A 4 -2.762 16.200 26.357 1.00 10.00 C ATOM 50 O GLU A 4 -2.366 16.528 25.255 1.00 10.00 O ATOM 51 CB GLU A 4 -0.762 17.048 27.614 1.00 50.00 C ATOM 52 CG GLU A 4 -1.292 18.119 28.570 1.00 50.00 C ATOM 53 CD GLU A 4 -0.230 18.430 29.627 1.00 50.00 C ATOM 54 OE1 GLU A 4 0.911 18.051 29.422 1.00 50.00 O ATOM 55 OE2 GLU A 4 -0.576 19.044 30.624 1.00 50.00 O ATOM 0 H GLU A 4 -0.053 14.862 26.823 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.387 15.809 28.401 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.188 16.658 27.978 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -0.573 17.483 26.632 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -1.545 19.023 28.016 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -2.207 17.773 29.050 1.00 50.00 H new ATOM 62 N TYR A 5 -4.037 16.095 26.616 1.00 10.00 N ATOM 63 CA TYR A 5 -5.040 16.378 25.549 1.00 10.00 C ATOM 64 C TYR A 5 -5.470 17.847 25.630 1.00 10.00 C ATOM 65 O TYR A 5 -5.648 18.390 26.701 1.00 10.00 O ATOM 66 CB TYR A 5 -6.217 15.450 25.853 1.00 10.00 C ATOM 67 CG TYR A 5 -6.783 15.779 27.213 1.00 10.00 C ATOM 68 CD1 TYR A 5 -7.702 16.823 27.353 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.388 15.038 28.334 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.227 17.128 28.615 1.00 50.00 C ATOM 71 CE2 TYR A 5 -6.913 15.343 29.594 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.834 16.389 29.735 1.00 50.00 C ATOM 73 OH TYR A 5 -8.352 16.688 30.978 1.00 50.00 O ATOM 0 H TYR A 5 -4.428 15.826 27.519 1.00 10.00 H new ATOM 0 HA TYR A 5 -4.648 16.210 24.546 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -6.988 15.562 25.090 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -5.890 14.411 25.826 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.007 17.394 26.489 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -5.678 14.231 28.225 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -8.936 17.935 28.723 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.608 14.772 30.458 1.00 50.00 H new ATOM 0 HH TYR A 5 -8.977 17.439 30.900 1.00 50.00 H new ATOM 83 N LEU A 6 -5.628 18.498 24.510 1.00 10.00 N ATOM 84 CA LEU A 6 -6.033 19.935 24.538 1.00 10.00 C ATOM 85 C LEU A 6 -7.206 20.182 23.583 1.00 10.00 C ATOM 86 O LEU A 6 -7.103 19.982 22.390 1.00 10.00 O ATOM 87 CB LEU A 6 -4.781 20.696 24.084 1.00 12.50 C ATOM 88 CG LEU A 6 -5.149 22.104 23.595 1.00 12.50 C ATOM 89 CD1 LEU A 6 -6.271 22.694 24.454 1.00 50.00 C ATOM 90 CD2 LEU A 6 -3.918 23.004 23.688 1.00 50.00 C ATOM 0 H LEU A 6 -5.495 18.101 23.580 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.371 20.255 25.523 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.073 20.766 24.910 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.285 20.146 23.284 1.00 12.50 H new ATOM 0 HG LEU A 6 -5.492 22.041 22.562 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.519 23.692 24.093 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -7.152 22.056 24.390 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.942 22.755 25.491 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -4.173 24.006 23.342 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.580 23.053 24.723 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -3.122 22.597 23.065 1.00 50.00 H new ATOM 102 N ASN A 7 -8.322 20.615 24.108 1.00 10.00 N ATOM 103 CA ASN A 7 -9.508 20.878 23.243 1.00 10.00 C ATOM 104 C ASN A 7 -9.114 21.742 22.044 1.00 10.00 C ATOM 105 O ASN A 7 -8.728 22.885 22.190 1.00 10.00 O ATOM 106 CB ASN A 7 -10.490 21.630 24.141 1.00 10.00 C ATOM 107 CG ASN A 7 -11.865 21.677 23.472 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.251 20.752 22.785 1.00 12.50 O ATOM 109 ND2 ASN A 7 -12.627 22.723 23.644 1.00 12.50 N ATOM 0 H ASN A 7 -8.463 20.798 25.102 1.00 10.00 H new ATOM 0 HA ASN A 7 -9.936 19.959 22.843 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -10.563 21.137 25.110 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.129 22.642 24.324 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -13.545 22.763 23.202 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.304 23.500 24.220 1.00 12.50 H new ATOM 116 N TYR A 8 -9.215 21.208 20.858 1.00 50.00 N ATOM 117 CA TYR A 8 -8.853 22.006 19.653 1.00 50.00 C ATOM 118 C TYR A 8 -9.778 23.220 19.543 1.00 50.00 C ATOM 119 O TYR A 8 -9.411 24.248 19.010 1.00 50.00 O ATOM 120 CB TYR A 8 -9.060 21.061 18.470 1.00 50.00 C ATOM 121 CG TYR A 8 -8.983 21.846 17.182 1.00 50.00 C ATOM 122 CD1 TYR A 8 -10.128 22.469 16.673 1.00 50.00 C ATOM 123 CD2 TYR A 8 -7.766 21.951 16.497 1.00 50.00 C ATOM 124 CE1 TYR A 8 -10.058 23.196 15.479 1.00 50.00 C ATOM 125 CE2 TYR A 8 -7.695 22.679 15.303 1.00 50.00 C ATOM 126 CZ TYR A 8 -8.841 23.301 14.794 1.00 50.00 C ATOM 127 OH TYR A 8 -8.772 24.017 13.616 1.00 50.00 O ATOM 0 H TYR A 8 -9.532 20.256 20.671 1.00 50.00 H new ATOM 0 HA TYR A 8 -7.830 22.381 19.692 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -8.301 20.279 18.478 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.028 20.567 18.550 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.066 22.389 17.202 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -6.882 21.470 16.890 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -10.942 23.676 15.086 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -6.756 22.761 14.775 1.00 50.00 H new ATOM 0 HH TYR A 8 -9.216 24.883 13.733 1.00 50.00 H new ATOM 137 N GLU A 9 -10.976 23.109 20.052 1.00 25.00 N ATOM 138 CA GLU A 9 -11.922 24.259 19.985 1.00 25.00 C ATOM 139 C GLU A 9 -11.354 25.442 20.772 1.00 25.00 C ATOM 140 O GLU A 9 -11.509 26.585 20.393 1.00 25.00 O ATOM 141 CB GLU A 9 -13.212 23.752 20.631 1.00 50.00 C ATOM 142 CG GLU A 9 -14.212 23.369 19.540 1.00 50.00 C ATOM 143 CD GLU A 9 -15.139 24.553 19.258 1.00 50.00 C ATOM 144 OE1 GLU A 9 -16.082 24.734 20.009 1.00 50.00 O ATOM 145 OE2 GLU A 9 -14.887 25.260 18.296 1.00 50.00 O ATOM 0 H GLU A 9 -11.339 22.273 20.510 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.091 24.602 18.964 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.000 22.890 21.264 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.637 24.523 21.274 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -13.683 23.083 18.631 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -14.795 22.504 19.854 1.00 50.00 H new ATOM 152 N THR A 10 -10.691 25.173 21.864 1.00 50.00 N ATOM 153 CA THR A 10 -10.106 26.283 22.669 1.00 50.00 C ATOM 154 C THR A 10 -9.097 27.057 21.820 1.00 50.00 C ATOM 155 O THR A 10 -8.883 28.238 22.012 1.00 50.00 O ATOM 156 CB THR A 10 -9.410 25.599 23.847 1.00 50.00 C ATOM 157 OG1 THR A 10 -10.336 24.759 24.521 1.00 50.00 O ATOM 158 CG2 THR A 10 -8.884 26.660 24.814 1.00 50.00 C ATOM 0 H THR A 10 -10.530 24.236 22.233 1.00 50.00 H new ATOM 0 HA THR A 10 -10.858 26.996 23.007 1.00 50.00 H new ATOM 0 HB THR A 10 -8.577 24.999 23.479 1.00 50.00 H new ATOM 0 HG1 THR A 10 -10.011 24.574 25.427 1.00 50.00 H new ATOM 0 HG21 THR A 10 -8.388 26.173 25.654 1.00 50.00 H new ATOM 0 HG22 THR A 10 -8.173 27.304 24.296 1.00 50.00 H new ATOM 0 HG23 THR A 10 -9.716 27.261 25.183 1.00 50.00 H new ATOM 166 N LEU A 11 -8.482 26.399 20.873 1.00 50.00 N ATOM 167 CA LEU A 11 -7.493 27.095 20.003 1.00 50.00 C ATOM 168 C LEU A 11 -8.208 28.137 19.139 1.00 50.00 C ATOM 169 O LEU A 11 -7.788 29.272 19.039 1.00 50.00 O ATOM 170 CB LEU A 11 -6.892 25.993 19.125 1.00 50.00 C ATOM 171 CG LEU A 11 -5.534 26.446 18.578 1.00 50.00 C ATOM 172 CD1 LEU A 11 -5.111 25.518 17.437 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.638 27.880 18.054 1.00 50.00 C ATOM 0 H LEU A 11 -8.623 25.410 20.666 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.728 27.619 20.576 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -6.773 25.078 19.705 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.568 25.763 18.301 1.00 50.00 H new ATOM 0 HG LEU A 11 -4.793 26.408 19.377 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.145 25.838 17.046 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.031 24.497 17.809 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -5.855 25.557 16.641 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.670 28.197 17.666 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -6.380 27.923 17.257 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -5.939 28.543 18.865 1.00 50.00 H new ATOM 185 N ASP A 12 -9.291 27.755 18.517 1.00 50.00 N ATOM 186 CA ASP A 12 -10.040 28.717 17.662 1.00 50.00 C ATOM 187 C ASP A 12 -10.851 29.675 18.538 1.00 50.00 C ATOM 188 O ASP A 12 -10.881 30.867 18.309 1.00 50.00 O ATOM 189 CB ASP A 12 -10.969 27.851 16.810 1.00 50.00 C ATOM 190 CG ASP A 12 -10.203 27.322 15.595 1.00 50.00 C ATOM 191 OD1 ASP A 12 -9.549 28.117 14.940 1.00 50.00 O ATOM 192 OD2 ASP A 12 -10.283 26.132 15.342 1.00 50.00 O ATOM 0 H ASP A 12 -9.689 26.817 18.565 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.379 29.328 17.048 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -11.352 27.020 17.402 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.830 28.434 16.484 1.00 50.00 H new ATOM 197 N ASP A 13 -11.508 29.161 19.542 1.00 50.00 N ATOM 198 CA ASP A 13 -12.314 30.042 20.434 1.00 50.00 C ATOM 199 C ASP A 13 -11.437 31.168 20.988 1.00 50.00 C ATOM 200 O ASP A 13 -11.672 32.332 20.733 1.00 50.00 O ATOM 201 CB ASP A 13 -12.792 29.129 21.563 1.00 50.00 C ATOM 202 CG ASP A 13 -13.499 29.966 22.631 1.00 50.00 C ATOM 203 OD1 ASP A 13 -13.828 31.104 22.342 1.00 50.00 O ATOM 204 OD2 ASP A 13 -13.700 29.453 23.720 1.00 50.00 O ATOM 0 H ASP A 13 -11.521 28.170 19.783 1.00 50.00 H new ATOM 0 HA ASP A 13 -13.147 30.513 19.912 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -13.471 28.372 21.170 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -11.945 28.601 22.001 1.00 50.00 H new ATOM 209 N GLN A 14 -10.428 30.830 21.744 1.00 50.00 N ATOM 210 CA GLN A 14 -9.538 31.883 22.311 1.00 50.00 C ATOM 211 C GLN A 14 -8.789 32.601 21.185 1.00 50.00 C ATOM 212 O GLN A 14 -8.157 33.617 21.396 1.00 50.00 O ATOM 213 CB GLN A 14 -8.561 31.133 23.216 1.00 50.00 C ATOM 214 CG GLN A 14 -8.192 32.014 24.409 1.00 50.00 C ATOM 215 CD GLN A 14 -9.378 32.089 25.374 1.00 50.00 C ATOM 216 OE1 GLN A 14 -10.518 32.063 24.955 1.00 50.00 O ATOM 217 NE2 GLN A 14 -9.155 32.182 26.656 1.00 50.00 N ATOM 0 H GLN A 14 -10.182 29.872 21.993 1.00 50.00 H new ATOM 0 HA GLN A 14 -10.094 32.644 22.859 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -9.011 30.203 23.563 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.664 30.865 22.657 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -7.319 31.607 24.919 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -7.924 33.014 24.067 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -8.197 32.204 27.007 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -9.938 32.233 27.308 1.00 50.00 H new ATOM 226 N GLY A 15 -8.855 32.080 19.990 1.00 50.00 N ATOM 227 CA GLY A 15 -8.149 32.733 18.851 1.00 50.00 C ATOM 228 C GLY A 15 -6.636 32.621 19.052 1.00 50.00 C ATOM 229 O GLY A 15 -5.881 33.482 18.647 1.00 50.00 O ATOM 0 H GLY A 15 -9.367 31.230 19.753 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -8.437 32.260 17.912 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -8.440 33.781 18.782 1.00 50.00 H new ATOM 233 N TRP A 16 -6.187 31.566 19.675 1.00 50.00 N ATOM 234 CA TRP A 16 -4.723 31.400 19.901 1.00 50.00 C ATOM 235 C TRP A 16 -4.056 30.813 18.655 1.00 50.00 C ATOM 236 O TRP A 16 -4.709 30.499 17.679 1.00 50.00 O ATOM 237 CB TRP A 16 -4.613 30.429 21.078 1.00 50.00 C ATOM 238 CG TRP A 16 -4.294 31.189 22.326 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.688 30.667 23.416 1.00 50.00 C ATOM 240 CD2 TRP A 16 -4.552 32.592 22.633 1.00 50.00 C ATOM 241 NE1 TRP A 16 -3.555 31.658 24.372 1.00 50.00 N ATOM 242 CE2 TRP A 16 -4.072 32.862 23.938 1.00 50.00 C ATOM 243 CE3 TRP A 16 -5.147 33.647 21.917 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -4.179 34.130 24.510 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -5.256 34.924 22.490 1.00 50.00 C ATOM 246 CH2 TRP A 16 -4.773 35.164 23.783 1.00 50.00 C ATOM 0 H TRP A 16 -6.770 30.812 20.037 1.00 50.00 H new ATOM 0 HA TRP A 16 -4.227 32.349 20.106 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -5.549 29.883 21.201 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.836 29.690 20.882 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -3.361 29.643 23.523 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -3.127 31.516 25.287 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -5.523 33.473 20.919 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.805 34.311 25.507 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -5.715 35.726 21.931 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -4.860 36.149 24.218 1.00 50.00 H new ATOM 257 N ASP A 17 -2.760 30.663 18.678 1.00 50.00 N ATOM 258 CA ASP A 17 -2.052 30.099 17.493 1.00 50.00 C ATOM 259 C ASP A 17 -2.023 28.569 17.575 1.00 50.00 C ATOM 260 O ASP A 17 -2.566 27.977 18.485 1.00 50.00 O ATOM 261 CB ASP A 17 -0.636 30.668 17.570 1.00 50.00 C ATOM 262 CG ASP A 17 -0.279 31.327 16.236 1.00 50.00 C ATOM 263 OD1 ASP A 17 -0.865 30.949 15.236 1.00 50.00 O ATOM 264 OD2 ASP A 17 0.575 32.198 16.238 1.00 50.00 O ATOM 0 H ASP A 17 -2.160 30.907 19.466 1.00 50.00 H new ATOM 0 HA ASP A 17 -2.543 30.358 16.555 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -0.569 31.397 18.378 1.00 50.00 H new ATOM 0 HB3 ASP A 17 0.075 29.874 17.797 1.00 50.00 H new ATOM 269 N MET A 18 -1.392 27.927 16.629 1.00 50.00 N ATOM 270 CA MET A 18 -1.331 26.437 16.656 1.00 50.00 C ATOM 271 C MET A 18 -0.292 25.966 17.676 1.00 50.00 C ATOM 272 O MET A 18 -0.578 25.161 18.541 1.00 50.00 O ATOM 273 CB MET A 18 -0.916 26.031 15.241 1.00 50.00 C ATOM 274 CG MET A 18 -2.119 25.435 14.507 1.00 50.00 C ATOM 275 SD MET A 18 -1.673 23.816 13.830 1.00 50.00 S ATOM 276 CE MET A 18 -1.809 22.879 15.372 1.00 50.00 C ATOM 0 H MET A 18 -0.918 28.368 15.841 1.00 50.00 H new ATOM 0 HA MET A 18 -2.283 25.991 16.946 1.00 50.00 H new ATOM 0 HB2 MET A 18 -0.539 26.898 14.699 1.00 50.00 H new ATOM 0 HB3 MET A 18 -0.105 25.304 15.283 1.00 50.00 H new ATOM 0 HG2 MET A 18 -2.962 25.335 15.190 1.00 50.00 H new ATOM 0 HG3 MET A 18 -2.436 26.102 13.705 1.00 50.00 H new ATOM 0 HE1 MET A 18 -0.874 22.352 15.561 1.00 50.00 H new ATOM 0 HE2 MET A 18 -2.014 23.562 16.196 1.00 50.00 H new ATOM 0 HE3 MET A 18 -2.621 22.157 15.289 1.00 50.00 H new ATOM 286 N ASP A 19 0.915 26.456 17.581 1.00 50.00 N ATOM 287 CA ASP A 19 1.970 26.028 18.546 1.00 50.00 C ATOM 288 C ASP A 19 2.644 27.248 19.179 1.00 50.00 C ATOM 289 O ASP A 19 3.447 27.124 20.083 1.00 50.00 O ATOM 290 CB ASP A 19 2.975 25.240 17.707 1.00 50.00 C ATOM 291 CG ASP A 19 2.599 23.757 17.718 1.00 50.00 C ATOM 292 OD1 ASP A 19 1.685 23.404 18.446 1.00 50.00 O ATOM 293 OD2 ASP A 19 3.230 23.001 16.999 1.00 50.00 O ATOM 0 H ASP A 19 1.216 27.132 16.879 1.00 50.00 H new ATOM 0 HA ASP A 19 1.561 25.434 19.364 1.00 50.00 H new ATOM 0 HB2 ASP A 19 2.984 25.616 16.684 1.00 50.00 H new ATOM 0 HB3 ASP A 19 3.981 25.374 18.105 1.00 50.00 H new ATOM 298 N ASP A 20 2.331 28.425 18.711 1.00 50.00 N ATOM 299 CA ASP A 20 2.962 29.647 19.288 1.00 50.00 C ATOM 300 C ASP A 20 2.336 29.980 20.646 1.00 50.00 C ATOM 301 O ASP A 20 3.025 30.277 21.602 1.00 50.00 O ATOM 302 CB ASP A 20 2.674 30.756 18.277 1.00 50.00 C ATOM 303 CG ASP A 20 3.944 31.580 18.051 1.00 50.00 C ATOM 304 OD1 ASP A 20 5.020 31.033 18.226 1.00 50.00 O ATOM 305 OD2 ASP A 20 3.818 32.744 17.707 1.00 50.00 O ATOM 0 H ASP A 20 1.667 28.594 17.955 1.00 50.00 H new ATOM 0 HA ASP A 20 4.031 29.517 19.458 1.00 50.00 H new ATOM 0 HB2 ASP A 20 2.334 30.325 17.335 1.00 50.00 H new ATOM 0 HB3 ASP A 20 1.872 31.397 18.642 1.00 50.00 H new ATOM 310 N ASP A 21 1.036 29.937 20.738 1.00 50.00 N ATOM 311 CA ASP A 21 0.370 30.254 22.035 1.00 50.00 C ATOM 312 C ASP A 21 0.617 29.134 23.048 1.00 50.00 C ATOM 313 O ASP A 21 0.293 29.255 24.212 1.00 50.00 O ATOM 314 CB ASP A 21 -1.119 30.353 21.700 1.00 50.00 C ATOM 315 CG ASP A 21 -1.529 31.826 21.629 1.00 50.00 C ATOM 316 OD1 ASP A 21 -1.378 32.512 22.626 1.00 50.00 O ATOM 317 OD2 ASP A 21 -1.986 32.242 20.577 1.00 50.00 O ATOM 0 H ASP A 21 0.406 29.697 19.973 1.00 50.00 H new ATOM 0 HA ASP A 21 0.752 31.173 22.480 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -1.322 29.862 20.748 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -1.708 29.836 22.458 1.00 50.00 H new ATOM 322 N ASP A 22 1.188 28.043 22.615 1.00 50.00 N ATOM 323 CA ASP A 22 1.453 26.918 23.557 1.00 50.00 C ATOM 324 C ASP A 22 0.238 26.692 24.460 1.00 50.00 C ATOM 325 O ASP A 22 0.347 26.673 25.671 1.00 50.00 O ATOM 326 CB ASP A 22 2.660 27.367 24.382 1.00 50.00 C ATOM 327 CG ASP A 22 3.915 26.648 23.886 1.00 50.00 C ATOM 328 OD1 ASP A 22 4.234 26.793 22.717 1.00 50.00 O ATOM 329 OD2 ASP A 22 4.538 25.967 24.684 1.00 50.00 O ATOM 0 H ASP A 22 1.482 27.882 21.652 1.00 50.00 H new ATOM 0 HA ASP A 22 1.643 25.979 23.038 1.00 50.00 H new ATOM 0 HB2 ASP A 22 2.790 28.446 24.298 1.00 50.00 H new ATOM 0 HB3 ASP A 22 2.495 27.147 25.437 1.00 50.00 H new ATOM 334 N LEU A 23 -0.918 26.522 23.881 1.00 50.00 N ATOM 335 CA LEU A 23 -2.140 26.298 24.704 1.00 50.00 C ATOM 336 C LEU A 23 -1.887 25.197 25.738 1.00 50.00 C ATOM 337 O LEU A 23 -2.164 25.359 26.910 1.00 50.00 O ATOM 338 CB LEU A 23 -3.212 25.868 23.705 1.00 50.00 C ATOM 339 CG LEU A 23 -3.673 27.086 22.903 1.00 50.00 C ATOM 340 CD1 LEU A 23 -3.759 26.722 21.422 1.00 50.00 C ATOM 341 CD2 LEU A 23 -5.050 27.536 23.400 1.00 50.00 C ATOM 0 H LEU A 23 -1.070 26.528 22.872 1.00 50.00 H new ATOM 0 HA LEU A 23 -2.436 27.188 25.260 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.816 25.105 23.035 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -4.057 25.423 24.230 1.00 50.00 H new ATOM 0 HG LEU A 23 -2.957 27.897 23.035 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -4.088 27.591 20.852 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -2.778 26.405 21.068 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -4.473 25.909 21.288 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -5.378 28.404 22.828 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -5.766 26.725 23.271 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -4.987 27.800 24.456 1.00 50.00 H new ATOM 353 N PHE A 24 -1.352 24.083 25.317 1.00 50.00 N ATOM 354 CA PHE A 24 -1.072 22.980 26.279 1.00 50.00 C ATOM 355 C PHE A 24 -0.446 23.557 27.546 1.00 50.00 C ATOM 356 O PHE A 24 -0.568 23.008 28.623 1.00 50.00 O ATOM 357 CB PHE A 24 -0.068 22.075 25.565 1.00 50.00 C ATOM 358 CG PHE A 24 -0.796 21.140 24.632 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.615 20.129 25.150 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.647 21.280 23.248 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.284 19.259 24.283 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.316 20.409 22.381 1.00 50.00 C ATOM 363 CZ PHE A 24 -2.136 19.399 22.899 1.00 50.00 C ATOM 0 H PHE A 24 -1.097 23.889 24.349 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.974 22.440 26.569 1.00 50.00 H new ATOM 0 HB2 PHE A 24 0.646 22.679 25.005 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.503 21.502 26.296 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.730 20.021 26.218 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -0.016 22.060 22.849 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -2.915 18.479 24.682 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -1.200 20.516 21.313 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.654 18.728 22.230 1.00 50.00 H new ATOM 373 N GLU A 25 0.229 24.663 27.418 1.00 50.00 N ATOM 374 CA GLU A 25 0.877 25.288 28.607 1.00 50.00 C ATOM 375 C GLU A 25 0.001 26.413 29.165 1.00 50.00 C ATOM 376 O GLU A 25 -0.290 26.460 30.344 1.00 50.00 O ATOM 377 CB GLU A 25 2.200 25.850 28.087 1.00 50.00 C ATOM 378 CG GLU A 25 3.339 25.419 29.014 1.00 50.00 C ATOM 379 CD GLU A 25 3.155 26.075 30.384 1.00 50.00 C ATOM 380 OE1 GLU A 25 2.087 25.923 30.953 1.00 50.00 O ATOM 381 OE2 GLU A 25 4.086 26.717 30.842 1.00 50.00 O ATOM 0 H GLU A 25 0.361 25.164 26.540 1.00 50.00 H new ATOM 0 HA GLU A 25 1.025 24.573 29.416 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.386 25.492 27.074 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.150 26.938 28.036 1.00 50.00 H new ATOM 0 HG2 GLU A 25 3.348 24.334 29.116 1.00 50.00 H new ATOM 0 HG3 GLU A 25 4.299 25.707 28.587 1.00 50.00 H new ATOM 388 N LYS A 26 -0.418 27.322 28.328 1.00 50.00 N ATOM 389 CA LYS A 26 -1.269 28.447 28.811 1.00 50.00 C ATOM 390 C LYS A 26 -2.601 27.919 29.349 1.00 50.00 C ATOM 391 O LYS A 26 -3.134 28.422 30.317 1.00 50.00 O ATOM 392 CB LYS A 26 -1.497 29.325 27.581 1.00 50.00 C ATOM 393 CG LYS A 26 -1.538 30.794 28.004 1.00 50.00 C ATOM 394 CD LYS A 26 -0.179 31.442 27.732 1.00 50.00 C ATOM 395 CE LYS A 26 -0.344 32.558 26.698 1.00 50.00 C ATOM 396 NZ LYS A 26 0.138 31.970 25.415 1.00 50.00 N ATOM 0 H LYS A 26 -0.208 27.335 27.330 1.00 50.00 H new ATOM 0 HA LYS A 26 -0.799 28.997 29.626 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -0.700 29.167 26.855 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -2.432 29.050 27.093 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -2.320 31.320 27.455 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -1.784 30.872 29.063 1.00 50.00 H new ATOM 0 HD2 LYS A 26 0.235 31.846 28.656 1.00 50.00 H new ATOM 0 HD3 LYS A 26 0.526 30.695 27.367 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -1.384 32.874 26.621 1.00 50.00 H new ATOM 0 HE3 LYS A 26 0.237 33.439 26.972 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -0.372 32.406 24.620 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 1.157 32.149 25.312 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -0.035 30.945 25.416 1.00 50.00 H new ATOM 410 N ALA A 27 -3.142 26.910 28.728 1.00 50.00 N ATOM 411 CA ALA A 27 -4.440 26.353 29.204 1.00 50.00 C ATOM 412 C ALA A 27 -4.287 25.808 30.627 1.00 50.00 C ATOM 413 O ALA A 27 -5.258 25.559 31.315 1.00 50.00 O ATOM 414 CB ALA A 27 -4.770 25.224 28.228 1.00 50.00 C ATOM 0 H ALA A 27 -2.743 26.446 27.912 1.00 50.00 H new ATOM 0 HA ALA A 27 -5.228 27.106 29.234 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -5.715 24.762 28.512 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.852 25.628 27.219 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.978 24.476 28.256 1.00 50.00 H new ATOM 420 N ALA A 28 -3.075 25.623 31.074 1.00 50.00 N ATOM 421 CA ALA A 28 -2.860 25.097 32.453 1.00 50.00 C ATOM 422 C ALA A 28 -2.783 26.255 33.451 1.00 50.00 C ATOM 423 O ALA A 28 -2.924 26.070 34.644 1.00 50.00 O ATOM 424 CB ALA A 28 -1.525 24.355 32.390 1.00 50.00 C ATOM 0 H ALA A 28 -2.224 25.813 30.544 1.00 50.00 H new ATOM 0 HA ALA A 28 -3.672 24.447 32.780 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -1.294 23.937 33.370 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -1.590 23.550 31.658 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -0.737 25.048 32.097 1.00 50.00 H new ATOM 430 N ASP A 29 -2.559 27.449 32.972 1.00 50.00 N ATOM 431 CA ASP A 29 -2.473 28.616 33.895 1.00 50.00 C ATOM 432 C ASP A 29 -3.812 29.355 33.940 1.00 50.00 C ATOM 433 O ASP A 29 -4.163 29.966 34.930 1.00 50.00 O ATOM 434 CB ASP A 29 -1.385 29.511 33.302 1.00 50.00 C ATOM 435 CG ASP A 29 -0.661 30.248 34.431 1.00 50.00 C ATOM 436 OD1 ASP A 29 -1.140 30.192 35.552 1.00 50.00 O ATOM 437 OD2 ASP A 29 0.360 30.856 34.156 1.00 50.00 O ATOM 0 H ASP A 29 -2.432 27.666 31.983 1.00 50.00 H new ATOM 0 HA ASP A 29 -2.242 28.317 34.918 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -0.676 28.911 32.731 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -1.826 30.228 32.609 1.00 50.00 H new ATOM 442 N ALA A 30 -4.563 29.302 32.876 1.00 50.00 N ATOM 443 CA ALA A 30 -5.880 30.000 32.856 1.00 50.00 C ATOM 444 C ALA A 30 -6.933 29.162 33.586 1.00 50.00 C ATOM 445 O ALA A 30 -7.949 29.667 34.020 1.00 50.00 O ATOM 446 CB ALA A 30 -6.236 30.135 31.374 1.00 50.00 C ATOM 0 H ALA A 30 -4.322 28.805 32.018 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.841 30.968 33.355 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -7.196 30.641 31.275 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.466 30.716 30.866 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -6.300 29.145 30.923 1.00 50.00 H new ATOM 452 N GLY A 31 -6.698 27.886 33.726 1.00 50.00 N ATOM 453 CA GLY A 31 -7.685 27.019 34.428 1.00 50.00 C ATOM 454 C GLY A 31 -8.722 26.509 33.424 1.00 50.00 C ATOM 455 O GLY A 31 -9.913 26.598 33.648 1.00 50.00 O ATOM 0 H GLY A 31 -5.865 27.407 33.384 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.176 26.178 34.900 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -8.177 27.580 35.222 1.00 50.00 H new ATOM 459 N LEU A 32 -8.280 25.975 32.318 1.00 50.00 N ATOM 460 CA LEU A 32 -9.243 25.460 31.301 1.00 50.00 C ATOM 461 C LEU A 32 -9.971 24.224 31.840 1.00 50.00 C ATOM 462 O LEU A 32 -9.396 23.407 32.531 1.00 50.00 O ATOM 463 CB LEU A 32 -8.383 25.090 30.092 1.00 50.00 C ATOM 464 CG LEU A 32 -8.298 26.284 29.141 1.00 50.00 C ATOM 465 CD1 LEU A 32 -9.707 26.685 28.698 1.00 50.00 C ATOM 466 CD2 LEU A 32 -7.635 27.462 29.857 1.00 50.00 C ATOM 0 H LEU A 32 -7.295 25.873 32.074 1.00 50.00 H new ATOM 0 HA LEU A 32 -10.008 26.194 31.048 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -7.384 24.800 30.418 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -8.812 24.231 29.576 1.00 50.00 H new ATOM 0 HG LEU A 32 -7.706 26.010 28.268 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -9.647 27.536 28.020 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -10.180 25.847 28.187 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -10.299 26.958 29.571 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -7.575 28.313 29.178 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -8.226 27.736 30.731 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -6.631 27.178 30.173 1.00 50.00 H new ATOM 478 N ASP A 33 -11.230 24.082 31.529 1.00 50.00 N ATOM 479 CA ASP A 33 -11.989 22.897 32.024 1.00 50.00 C ATOM 480 C ASP A 33 -11.192 21.617 31.759 1.00 50.00 C ATOM 481 O ASP A 33 -10.582 21.458 30.722 1.00 50.00 O ATOM 482 CB ASP A 33 -13.291 22.895 31.223 1.00 50.00 C ATOM 483 CG ASP A 33 -14.371 23.647 32.004 1.00 50.00 C ATOM 484 OD1 ASP A 33 -14.014 24.406 32.890 1.00 50.00 O ATOM 485 OD2 ASP A 33 -15.537 23.451 31.702 1.00 50.00 O ATOM 0 H ASP A 33 -11.766 24.733 30.955 1.00 50.00 H new ATOM 0 HA ASP A 33 -12.174 22.942 33.097 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.134 23.366 30.253 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.612 21.871 31.032 1.00 50.00 H new ATOM 490 N GLY A 34 -11.190 20.705 32.692 1.00 50.00 N ATOM 491 CA GLY A 34 -10.429 19.439 32.495 1.00 50.00 C ATOM 492 C GLY A 34 -11.007 18.670 31.305 1.00 50.00 C ATOM 493 O GLY A 34 -10.329 17.886 30.672 1.00 50.00 O ATOM 0 H GLY A 34 -11.682 20.782 33.582 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -9.376 19.660 32.321 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -10.482 18.828 33.396 1.00 50.00 H new ATOM 497 N GLU A 35 -12.257 18.886 30.996 1.00 50.00 N ATOM 498 CA GLU A 35 -12.876 18.162 29.848 1.00 50.00 C ATOM 499 C GLU A 35 -12.265 18.634 28.525 1.00 50.00 C ATOM 500 O GLU A 35 -12.410 17.996 27.502 1.00 50.00 O ATOM 501 CB GLU A 35 -14.361 18.522 29.911 1.00 50.00 C ATOM 502 CG GLU A 35 -15.200 17.258 29.723 1.00 50.00 C ATOM 503 CD GLU A 35 -16.686 17.616 29.800 1.00 50.00 C ATOM 504 OE1 GLU A 35 -17.022 18.741 29.470 1.00 50.00 O ATOM 505 OE2 GLU A 35 -17.462 16.759 30.189 1.00 50.00 O ATOM 0 H GLU A 35 -12.876 19.531 31.488 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.712 17.086 29.903 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -14.593 18.986 30.869 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -14.603 19.250 29.137 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -14.975 16.799 28.760 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -14.951 16.526 30.491 1.00 50.00 H new ATOM 512 N ASP A 36 -11.582 19.745 28.537 1.00 50.00 N ATOM 513 CA ASP A 36 -10.965 20.254 27.277 1.00 50.00 C ATOM 514 C ASP A 36 -9.447 20.055 27.309 1.00 50.00 C ATOM 515 O ASP A 36 -8.867 19.487 26.405 1.00 50.00 O ATOM 516 CB ASP A 36 -11.306 21.744 27.245 1.00 50.00 C ATOM 517 CG ASP A 36 -12.703 21.935 26.650 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.128 21.074 25.898 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.324 22.939 26.958 1.00 50.00 O ATOM 0 H ASP A 36 -11.424 20.323 29.363 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.335 19.729 26.396 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.268 22.158 28.253 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.569 22.284 26.651 1.00 50.00 H new ATOM 524 N TYR A 37 -8.799 20.521 28.340 1.00 12.50 N ATOM 525 CA TYR A 37 -7.318 20.361 28.424 1.00 12.50 C ATOM 526 C TYR A 37 -6.937 19.651 29.727 1.00 12.50 C ATOM 527 O TYR A 37 -7.583 19.808 30.745 1.00 12.50 O ATOM 528 CB TYR A 37 -6.766 21.789 28.396 1.00 12.50 C ATOM 529 CG TYR A 37 -5.357 21.806 28.938 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.296 21.342 28.150 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.109 22.285 30.230 1.00 50.00 C ATOM 532 CE1 TYR A 37 -2.990 21.357 28.653 1.00 50.00 C ATOM 533 CE2 TYR A 37 -3.803 22.299 30.734 1.00 50.00 C ATOM 534 CZ TYR A 37 -2.744 21.836 29.946 1.00 12.50 C ATOM 535 OH TYR A 37 -1.457 21.850 30.443 1.00 50.00 O ATOM 0 H TYR A 37 -9.229 21.005 29.128 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.916 19.757 27.611 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -6.777 22.173 27.376 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.401 22.446 28.990 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -4.486 20.972 27.153 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -5.926 22.644 30.838 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.172 20.999 28.045 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -3.613 22.667 31.731 1.00 50.00 H new ATOM 0 HH TYR A 37 -0.822 21.962 29.705 1.00 50.00 H new ATOM 545 N GLY A 38 -5.891 18.872 29.702 1.00 10.00 N ATOM 546 CA GLY A 38 -5.465 18.152 30.933 1.00 10.00 C ATOM 547 C GLY A 38 -4.599 16.950 30.546 1.00 10.00 C ATOM 548 O GLY A 38 -4.581 16.527 29.407 1.00 10.00 O ATOM 0 H GLY A 38 -5.312 18.703 28.879 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -4.905 18.823 31.584 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.339 17.819 31.494 1.00 10.00 H new ATOM 552 N THR A 39 -3.881 16.397 31.485 1.00 10.00 N ATOM 553 CA THR A 39 -3.018 15.222 31.168 1.00 10.00 C ATOM 554 C THR A 39 -3.862 13.946 31.128 1.00 10.00 C ATOM 555 O THR A 39 -4.582 13.640 32.058 1.00 10.00 O ATOM 556 CB THR A 39 -1.994 15.154 32.305 1.00 50.00 C ATOM 557 OG1 THR A 39 -2.078 16.332 33.095 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.587 15.034 31.718 1.00 50.00 C ATOM 0 H THR A 39 -3.854 16.707 32.456 1.00 10.00 H new ATOM 0 HA THR A 39 -2.535 15.317 30.196 1.00 10.00 H new ATOM 0 HB THR A 39 -2.204 14.285 32.928 1.00 50.00 H new ATOM 0 HG1 THR A 39 -1.423 16.285 33.823 1.00 50.00 H new ATOM 0 HG21 THR A 39 0.142 14.986 32.527 1.00 50.00 H new ATOM 0 HG22 THR A 39 -0.520 14.128 31.115 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.378 15.902 31.093 1.00 50.00 H new ATOM 566 N MET A 40 -3.783 13.199 30.062 1.00 10.00 N ATOM 567 CA MET A 40 -4.586 11.947 29.971 1.00 10.00 C ATOM 568 C MET A 40 -3.730 10.742 30.373 1.00 10.00 C ATOM 569 O MET A 40 -3.154 10.072 29.540 1.00 10.00 O ATOM 570 CB MET A 40 -5.004 11.846 28.504 1.00 10.00 C ATOM 571 CG MET A 40 -6.524 11.993 28.398 1.00 10.00 C ATOM 572 SD MET A 40 -6.985 12.265 26.670 1.00 12.50 S ATOM 573 CE MET A 40 -6.754 10.563 26.102 1.00 50.00 C ATOM 0 H MET A 40 -3.198 13.401 29.251 1.00 10.00 H new ATOM 0 HA MET A 40 -5.449 11.960 30.637 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.511 12.623 27.919 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.690 10.888 28.090 1.00 10.00 H new ATOM 0 HG2 MET A 40 -7.014 11.097 28.780 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.863 12.828 29.012 1.00 10.00 H new ATOM 0 HE1 MET A 40 -5.834 10.495 25.522 1.00 50.00 H new ATOM 0 HE2 MET A 40 -6.690 9.898 26.963 1.00 50.00 H new ATOM 0 HE3 MET A 40 -7.599 10.270 25.479 1.00 50.00 H new ATOM 583 N GLU A 41 -3.643 10.463 31.644 1.00 10.00 N ATOM 584 CA GLU A 41 -2.825 9.304 32.103 1.00 10.00 C ATOM 585 C GLU A 41 -3.369 8.003 31.510 1.00 10.00 C ATOM 586 O GLU A 41 -4.417 7.525 31.894 1.00 10.00 O ATOM 587 CB GLU A 41 -2.970 9.299 33.624 1.00 10.00 C ATOM 588 CG GLU A 41 -4.454 9.340 33.990 1.00 10.00 C ATOM 589 CD GLU A 41 -4.755 8.259 35.031 1.00 12.50 C ATOM 590 OE1 GLU A 41 -3.816 7.786 35.652 1.00 12.50 O ATOM 591 OE2 GLU A 41 -5.916 7.923 35.189 1.00 12.50 O ATOM 0 H GLU A 41 -4.104 10.989 32.387 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.784 9.384 31.790 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -2.505 8.406 34.042 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -2.454 10.158 34.053 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -4.715 10.322 34.385 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -5.063 9.182 33.100 1.00 10.00 H new ATOM 598 N VAL A 42 -2.662 7.422 30.578 1.00 10.00 N ATOM 599 CA VAL A 42 -3.139 6.150 29.965 1.00 10.00 C ATOM 600 C VAL A 42 -2.184 5.006 30.322 1.00 10.00 C ATOM 601 O VAL A 42 -1.005 5.058 30.032 1.00 10.00 O ATOM 602 CB VAL A 42 -3.132 6.410 28.459 1.00 10.00 C ATOM 603 CG1 VAL A 42 -3.487 5.118 27.718 1.00 10.00 C ATOM 604 CG2 VAL A 42 -4.161 7.492 28.124 1.00 10.00 C ATOM 0 H VAL A 42 -1.776 7.773 30.215 1.00 10.00 H new ATOM 0 HA VAL A 42 -4.128 5.861 30.321 1.00 10.00 H new ATOM 0 HB VAL A 42 -2.141 6.745 28.151 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -3.482 5.302 26.644 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -2.754 4.348 27.958 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -4.478 4.783 28.025 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -4.157 7.678 27.050 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -5.152 7.159 28.431 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -3.908 8.411 28.653 1.00 10.00 H new ATOM 614 N ALA A 43 -2.683 3.977 30.950 1.00 10.00 N ATOM 615 CA ALA A 43 -1.800 2.835 31.326 1.00 10.00 C ATOM 616 C ALA A 43 -1.113 2.265 30.084 1.00 10.00 C ATOM 617 O ALA A 43 -1.659 2.281 28.999 1.00 10.00 O ATOM 618 CB ALA A 43 -2.735 1.798 31.949 1.00 50.00 C ATOM 0 H ALA A 43 -3.662 3.877 31.219 1.00 10.00 H new ATOM 0 HA ALA A 43 -1.009 3.134 32.014 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -2.158 0.924 32.253 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -3.227 2.229 32.821 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -3.487 1.500 31.218 1.00 50.00 H new ATOM 624 N GLU A 44 0.081 1.760 30.232 1.00 10.00 N ATOM 625 CA GLU A 44 0.799 1.189 29.055 1.00 10.00 C ATOM 626 C GLU A 44 0.099 -0.087 28.582 1.00 10.00 C ATOM 627 O GLU A 44 0.029 -1.069 29.294 1.00 10.00 O ATOM 628 CB GLU A 44 2.208 0.876 29.560 1.00 10.00 C ATOM 629 CG GLU A 44 2.965 2.184 29.805 1.00 10.00 C ATOM 630 CD GLU A 44 3.936 2.436 28.649 1.00 25.00 C ATOM 631 OE1 GLU A 44 4.447 1.470 28.109 1.00 25.00 O ATOM 632 OE2 GLU A 44 4.150 3.593 28.325 1.00 25.00 O ATOM 0 H GLU A 44 0.590 1.718 31.115 1.00 10.00 H new ATOM 0 HA GLU A 44 0.817 1.875 28.208 1.00 10.00 H new ATOM 0 HB2 GLU A 44 2.155 0.296 30.481 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.740 0.267 28.830 1.00 10.00 H new ATOM 0 HG2 GLU A 44 2.262 3.013 29.891 1.00 10.00 H new ATOM 0 HG3 GLU A 44 3.511 2.130 30.747 1.00 10.00 H new ATOM 639 N GLY A 45 -0.422 -0.077 27.386 1.00 10.00 N ATOM 640 CA GLY A 45 -1.122 -1.284 26.868 1.00 10.00 C ATOM 641 C GLY A 45 -2.634 -1.082 26.991 1.00 10.00 C ATOM 642 O GLY A 45 -3.410 -1.999 26.806 1.00 10.00 O ATOM 0 H GLY A 45 -0.393 0.716 26.745 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.850 -1.458 25.827 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -0.814 -2.166 27.429 1.00 10.00 H new ATOM 646 N GLU A 46 -3.058 0.113 27.303 1.00 10.00 N ATOM 647 CA GLU A 46 -4.521 0.373 27.440 1.00 10.00 C ATOM 648 C GLU A 46 -4.982 1.371 26.374 1.00 10.00 C ATOM 649 O GLU A 46 -4.288 2.315 26.052 1.00 10.00 O ATOM 650 CB GLU A 46 -4.684 0.967 28.839 1.00 10.00 C ATOM 651 CG GLU A 46 -6.151 1.335 29.071 1.00 10.00 C ATOM 652 CD GLU A 46 -6.269 2.177 30.343 1.00 10.00 C ATOM 653 OE1 GLU A 46 -5.462 1.981 31.236 1.00 10.00 O ATOM 654 OE2 GLU A 46 -7.165 3.003 30.401 1.00 10.00 O ATOM 0 H GLU A 46 -2.456 0.920 27.469 1.00 10.00 H new ATOM 0 HA GLU A 46 -5.118 -0.529 27.307 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -4.355 0.249 29.591 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -4.055 1.851 28.946 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -6.537 1.891 28.217 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -6.754 0.432 29.163 1.00 10.00 H new ATOM 661 N TYR A 47 -6.149 1.171 25.826 1.00 10.00 N ATOM 662 CA TYR A 47 -6.654 2.109 24.781 1.00 10.00 C ATOM 663 C TYR A 47 -6.777 3.523 25.355 1.00 10.00 C ATOM 664 O TYR A 47 -7.275 3.719 26.446 1.00 10.00 O ATOM 665 CB TYR A 47 -8.030 1.566 24.396 1.00 10.00 C ATOM 666 CG TYR A 47 -7.899 0.124 23.968 1.00 10.00 C ATOM 667 CD1 TYR A 47 -6.728 -0.315 23.338 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.948 -0.774 24.200 1.00 10.00 C ATOM 669 CE1 TYR A 47 -6.606 -1.652 22.941 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.826 -2.111 23.802 1.00 10.00 C ATOM 671 CZ TYR A 47 -7.655 -2.550 23.173 1.00 10.00 C ATOM 672 OH TYR A 47 -7.534 -3.868 22.781 1.00 10.00 O ATOM 0 H TYR A 47 -6.775 0.399 26.056 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.985 2.172 23.923 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.714 1.645 25.241 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -8.454 2.160 23.586 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.919 0.378 23.158 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.851 -0.435 24.686 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -5.703 -1.991 22.456 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -9.635 -2.803 23.980 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.351 -4.356 23.017 1.00 10.00 H new ATOM 682 N ILE A 48 -6.331 4.511 24.629 1.00 10.00 N ATOM 683 CA ILE A 48 -6.429 5.909 25.140 1.00 10.00 C ATOM 684 C ILE A 48 -7.893 6.269 25.402 1.00 10.00 C ATOM 685 O ILE A 48 -8.281 6.554 26.517 1.00 10.00 O ATOM 686 CB ILE A 48 -5.844 6.787 24.032 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.419 6.327 23.711 1.00 10.00 C ATOM 688 CG2 ILE A 48 -5.815 8.243 24.506 1.00 10.00 C ATOM 689 CD1 ILE A 48 -3.772 7.303 22.726 1.00 10.00 C ATOM 0 H ILE A 48 -5.905 4.412 23.708 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.895 6.043 26.081 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.460 6.704 23.137 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -3.829 6.274 24.626 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -4.438 5.324 23.285 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -5.399 8.873 23.720 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.829 8.571 24.736 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.197 8.322 25.400 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.758 6.973 22.500 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -4.357 7.334 21.807 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -3.739 8.298 23.169 1.00 10.00 H new ATOM 701 N LEU A 49 -8.713 6.254 24.384 1.00 10.00 N ATOM 702 CA LEU A 49 -10.151 6.591 24.585 1.00 10.00 C ATOM 703 C LEU A 49 -10.677 5.901 25.846 1.00 10.00 C ATOM 704 O LEU A 49 -11.603 6.365 26.480 1.00 10.00 O ATOM 705 CB LEU A 49 -10.862 6.055 23.339 1.00 10.00 C ATOM 706 CG LEU A 49 -12.380 6.103 23.543 1.00 10.00 C ATOM 707 CD1 LEU A 49 -12.915 7.458 23.074 1.00 10.00 C ATOM 708 CD2 LEU A 49 -13.037 4.988 22.728 1.00 10.00 C ATOM 0 H LEU A 49 -8.449 6.024 23.426 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.314 7.661 24.715 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -10.585 6.648 22.468 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.545 5.031 23.141 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.610 5.967 24.600 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -13.995 7.493 23.219 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -12.446 8.254 23.652 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -12.686 7.593 22.017 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -14.117 5.020 22.872 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -12.807 5.126 21.671 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -12.656 4.022 23.059 1.00 10.00 H new ATOM 720 N GLU A 50 -10.088 4.795 26.217 1.00 10.00 N ATOM 721 CA GLU A 50 -10.554 4.079 27.439 1.00 10.00 C ATOM 722 C GLU A 50 -10.118 4.844 28.691 1.00 10.00 C ATOM 723 O GLU A 50 -10.918 5.145 29.556 1.00 10.00 O ATOM 724 CB GLU A 50 -9.875 2.710 27.379 1.00 10.00 C ATOM 725 CG GLU A 50 -10.474 1.796 28.450 1.00 10.00 C ATOM 726 CD GLU A 50 -11.532 0.891 27.815 1.00 50.00 C ATOM 727 OE1 GLU A 50 -11.155 0.027 27.040 1.00 50.00 O ATOM 728 OE2 GLU A 50 -12.699 1.075 28.117 1.00 50.00 O ATOM 0 H GLU A 50 -9.307 4.358 25.728 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.640 3.991 27.482 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -10.010 2.268 26.392 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.802 2.817 27.536 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -9.690 1.192 28.907 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -10.921 2.393 29.245 1.00 10.00 H new ATOM 735 N ALA A 51 -8.857 5.165 28.793 1.00 10.00 N ATOM 736 CA ALA A 51 -8.375 5.914 29.988 1.00 10.00 C ATOM 737 C ALA A 51 -8.980 7.319 30.003 1.00 10.00 C ATOM 738 O ALA A 51 -9.279 7.866 31.046 1.00 10.00 O ATOM 739 CB ALA A 51 -6.856 5.983 29.828 1.00 12.50 C ATOM 0 H ALA A 51 -8.141 4.941 28.102 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.661 5.433 30.923 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.425 6.522 30.672 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.447 4.973 29.795 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.611 6.504 28.902 1.00 12.50 H new ATOM 745 N ALA A 52 -9.166 7.901 28.854 1.00 10.00 N ATOM 746 CA ALA A 52 -9.759 9.268 28.796 1.00 10.00 C ATOM 747 C ALA A 52 -11.247 9.201 29.131 1.00 10.00 C ATOM 748 O ALA A 52 -11.782 10.054 29.811 1.00 10.00 O ATOM 749 CB ALA A 52 -9.547 9.736 27.356 1.00 10.00 C ATOM 0 H ALA A 52 -8.933 7.490 27.950 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.301 9.952 29.510 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.959 10.738 27.235 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.480 9.752 27.132 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -10.051 9.052 26.673 1.00 10.00 H new ATOM 755 N GLU A 53 -11.916 8.188 28.664 1.00 10.00 N ATOM 756 CA GLU A 53 -13.369 8.054 28.962 1.00 10.00 C ATOM 757 C GLU A 53 -13.567 7.858 30.465 1.00 10.00 C ATOM 758 O GLU A 53 -14.573 8.243 31.028 1.00 10.00 O ATOM 759 CB GLU A 53 -13.824 6.813 28.194 1.00 10.00 C ATOM 760 CG GLU A 53 -15.306 6.557 28.475 1.00 10.00 C ATOM 761 CD GLU A 53 -15.897 5.700 27.353 1.00 10.00 C ATOM 762 OE1 GLU A 53 -15.661 6.024 26.200 1.00 10.00 O ATOM 763 OE2 GLU A 53 -16.575 4.736 27.666 1.00 10.00 O ATOM 0 H GLU A 53 -11.521 7.445 28.088 1.00 10.00 H new ATOM 0 HA GLU A 53 -13.938 8.937 28.671 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.664 6.954 27.125 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -13.231 5.949 28.493 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -15.423 6.052 29.434 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -15.843 7.503 28.546 1.00 10.00 H new ATOM 770 N ALA A 54 -12.606 7.267 31.119 1.00 10.00 N ATOM 771 CA ALA A 54 -12.723 7.049 32.587 1.00 10.00 C ATOM 772 C ALA A 54 -12.673 8.394 33.314 1.00 10.00 C ATOM 773 O ALA A 54 -13.136 8.529 34.429 1.00 10.00 O ATOM 774 CB ALA A 54 -11.511 6.193 32.959 1.00 50.00 C ATOM 0 H ALA A 54 -11.742 6.925 30.698 1.00 10.00 H new ATOM 0 HA ALA A 54 -13.660 6.566 32.865 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -11.525 5.988 34.029 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -11.547 5.253 32.409 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.596 6.728 32.704 1.00 50.00 H new ATOM 780 N GLN A 55 -12.116 9.392 32.684 1.00 10.00 N ATOM 781 CA GLN A 55 -12.035 10.732 33.330 1.00 10.00 C ATOM 782 C GLN A 55 -13.237 11.585 32.917 1.00 10.00 C ATOM 783 O GLN A 55 -13.507 12.617 33.497 1.00 10.00 O ATOM 784 CB GLN A 55 -10.736 11.344 32.803 1.00 10.00 C ATOM 785 CG GLN A 55 -9.574 10.386 33.066 1.00 10.00 C ATOM 786 CD GLN A 55 -8.820 10.831 34.321 1.00 10.00 C ATOM 787 OE1 GLN A 55 -9.395 10.927 35.387 1.00 10.00 O ATOM 788 NE2 GLN A 55 -7.548 11.110 34.239 1.00 10.00 N ATOM 0 H GLN A 55 -11.713 9.337 31.749 1.00 10.00 H new ATOM 0 HA GLN A 55 -12.045 10.672 34.418 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -10.823 11.542 31.735 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -10.549 12.301 33.290 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -9.948 9.370 33.195 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -8.900 10.371 32.210 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -7.065 11.030 33.344 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -7.037 11.409 35.070 1.00 10.00 H new ATOM 797 N GLY A 56 -13.960 11.160 31.915 1.00 10.00 N ATOM 798 CA GLY A 56 -15.143 11.946 31.464 1.00 10.00 C ATOM 799 C GLY A 56 -14.778 12.734 30.204 1.00 10.00 C ATOM 800 O GLY A 56 -15.362 13.758 29.910 1.00 10.00 O ATOM 0 H GLY A 56 -13.782 10.303 31.391 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -15.980 11.279 31.259 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -15.463 12.627 32.252 1.00 10.00 H new ATOM 804 N TYR A 57 -13.815 12.265 29.456 1.00 10.00 N ATOM 805 CA TYR A 57 -13.416 12.990 28.216 1.00 10.00 C ATOM 806 C TYR A 57 -14.294 12.552 27.041 1.00 10.00 C ATOM 807 O TYR A 57 -14.468 11.377 26.787 1.00 10.00 O ATOM 808 CB TYR A 57 -11.958 12.591 27.972 1.00 10.00 C ATOM 809 CG TYR A 57 -11.110 12.949 29.174 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.630 13.752 30.200 1.00 10.00 C ATOM 811 CD2 TYR A 57 -9.797 12.471 29.261 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.836 14.076 31.307 1.00 12.50 C ATOM 813 CE2 TYR A 57 -9.004 12.794 30.368 1.00 12.50 C ATOM 814 CZ TYR A 57 -9.523 13.596 31.391 1.00 12.50 C ATOM 815 OH TYR A 57 -8.741 13.914 32.483 1.00 12.50 O ATOM 0 H TYR A 57 -13.289 11.413 29.650 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.532 14.069 28.315 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -11.894 11.520 27.778 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.578 13.099 27.085 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -12.643 14.120 30.136 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -9.395 11.852 28.472 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -11.236 14.696 32.096 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -7.991 12.424 30.433 1.00 12.50 H new ATOM 0 HH TYR A 57 -8.374 14.816 32.371 1.00 12.50 H new ATOM 825 N ASP A 58 -14.845 13.490 26.320 1.00 10.00 N ATOM 826 CA ASP A 58 -15.709 13.128 25.160 1.00 10.00 C ATOM 827 C ASP A 58 -14.860 12.990 23.894 1.00 10.00 C ATOM 828 O ASP A 58 -13.712 13.388 23.858 1.00 10.00 O ATOM 829 CB ASP A 58 -16.693 14.290 25.024 1.00 10.00 C ATOM 830 CG ASP A 58 -15.946 15.539 24.549 1.00 10.00 C ATOM 831 OD1 ASP A 58 -15.293 16.162 25.370 1.00 10.00 O ATOM 832 OD2 ASP A 58 -16.041 15.850 23.374 1.00 10.00 O ATOM 0 H ASP A 58 -14.735 14.491 26.484 1.00 10.00 H new ATOM 0 HA ASP A 58 -16.220 12.176 25.304 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -17.480 14.033 24.315 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -17.177 14.485 25.981 1.00 10.00 H new ATOM 837 N TRP A 59 -15.413 12.429 22.855 1.00 10.00 N ATOM 838 CA TRP A 59 -14.633 12.266 21.593 1.00 10.00 C ATOM 839 C TRP A 59 -15.574 12.259 20.387 1.00 10.00 C ATOM 840 O TRP A 59 -16.724 11.882 20.495 1.00 10.00 O ATOM 841 CB TRP A 59 -13.924 10.920 21.738 1.00 10.00 C ATOM 842 CG TRP A 59 -12.937 11.001 22.859 1.00 10.00 C ATOM 843 CD1 TRP A 59 -13.158 10.564 24.119 1.00 10.00 C ATOM 844 CD2 TRP A 59 -11.585 11.545 22.845 1.00 10.00 C ATOM 845 NE1 TRP A 59 -12.029 10.810 24.881 1.00 50.00 N ATOM 846 CE2 TRP A 59 -11.033 11.410 24.140 1.00 50.00 C ATOM 847 CE3 TRP A 59 -10.792 12.136 21.845 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.742 11.847 24.435 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -9.491 12.577 22.138 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.967 12.433 23.431 1.00 50.00 C ATOM 0 H TRP A 59 -16.370 12.076 22.823 1.00 10.00 H new ATOM 0 HA TRP A 59 -13.926 13.080 21.433 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -14.651 10.132 21.934 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -13.416 10.661 20.809 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -14.066 10.099 24.473 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -11.944 10.576 25.870 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -11.186 12.251 20.846 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -9.344 11.733 25.433 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.890 13.030 21.363 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.966 12.775 23.650 1.00 50.00 H new ATOM 861 N PRO A 60 -15.048 12.689 19.272 1.00 10.00 N ATOM 862 CA PRO A 60 -15.845 12.746 18.024 1.00 10.00 C ATOM 863 C PRO A 60 -16.067 11.340 17.456 1.00 10.00 C ATOM 864 O PRO A 60 -15.190 10.501 17.487 1.00 10.00 O ATOM 865 CB PRO A 60 -14.977 13.578 17.084 1.00 10.00 C ATOM 866 CG PRO A 60 -13.580 13.405 17.592 1.00 10.00 C ATOM 867 CD PRO A 60 -13.672 13.157 19.076 1.00 10.00 C ATOM 0 HA PRO A 60 -16.838 13.170 18.173 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -15.068 13.233 16.054 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -15.275 14.627 17.097 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.090 12.570 17.092 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -12.983 14.294 17.387 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -12.947 12.412 19.402 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -13.474 14.065 19.646 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.726 11.958 15.284 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.107 13.211 14.762 1.00 10.00 C ATOM 1013 C ALA A 72 -9.282 13.892 15.857 1.00 10.00 C ATOM 1014 O ALA A 72 -9.816 14.406 16.821 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.285 14.094 14.350 1.00 10.00 C ATOM 0 HA ALA A 72 -9.430 13.020 13.929 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -10.911 15.038 13.954 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -11.870 13.586 13.584 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -11.915 14.289 15.218 1.00 10.00 H new ATOM 1021 N SER A 73 -7.986 13.903 15.713 1.00 10.00 N ATOM 1022 CA SER A 73 -7.124 14.553 16.742 1.00 10.00 C ATOM 1023 C SER A 73 -5.884 15.159 16.080 1.00 10.00 C ATOM 1024 O SER A 73 -5.643 14.968 14.906 1.00 10.00 O ATOM 1025 CB SER A 73 -6.727 13.426 17.697 1.00 50.00 C ATOM 1026 OG SER A 73 -7.846 12.584 17.928 1.00 50.00 O ATOM 0 H SER A 73 -7.485 13.490 14.926 1.00 10.00 H new ATOM 0 HA SER A 73 -7.637 15.363 17.261 1.00 10.00 H new ATOM 0 HB2 SER A 73 -5.905 12.848 17.273 1.00 50.00 H new ATOM 0 HB3 SER A 73 -6.371 13.842 18.639 1.00 50.00 H new ATOM 0 HG SER A 73 -7.587 11.649 17.787 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.093 15.885 16.824 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.867 16.498 16.234 1.00 10.00 C ATOM 1034 C ILE A 74 -2.701 16.372 17.216 1.00 10.00 C ATOM 1035 O ILE A 74 -2.394 17.289 17.953 1.00 10.00 O ATOM 1036 CB ILE A 74 -4.223 17.968 16.005 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -5.456 18.061 15.104 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.049 18.681 15.333 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -5.118 17.503 13.719 1.00 10.00 C ATOM 0 H ILE A 74 -5.242 16.080 17.814 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.562 16.010 15.308 1.00 10.00 H new ATOM 0 HB ILE A 74 -4.435 18.441 16.964 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -6.283 17.501 15.542 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -5.782 19.098 15.021 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -3.304 19.728 15.170 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -2.169 18.617 15.974 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.835 18.207 14.375 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -5.996 17.569 13.076 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -4.304 18.082 13.282 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -4.813 16.461 13.811 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.053 15.242 17.232 1.00 10.00 N ATOM 1052 CA VAL A 75 -0.907 15.051 18.170 1.00 10.00 C ATOM 1053 C VAL A 75 0.063 16.234 18.073 1.00 10.00 C ATOM 1054 O VAL A 75 0.652 16.479 17.041 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.232 13.761 17.705 1.00 50.00 C ATOM 1056 CG1 VAL A 75 0.301 13.949 16.282 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.926 13.421 18.644 1.00 50.00 C ATOM 0 H VAL A 75 -2.265 14.441 16.637 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.228 14.993 19.210 1.00 10.00 H new ATOM 0 HB VAL A 75 -0.957 12.947 17.717 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.783 13.029 15.949 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -0.525 14.188 15.613 1.00 50.00 H new ATOM 0 HG13 VAL A 75 1.026 14.763 16.269 1.00 50.00 H new ATOM 0 HG21 VAL A 75 1.406 12.501 18.311 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.653 14.233 18.635 1.00 50.00 H new ATOM 0 HG23 VAL A 75 0.546 13.286 19.657 1.00 50.00 H new ATOM 1067 N LYS A 76 0.237 16.970 19.140 1.00 10.00 N ATOM 1068 CA LYS A 76 1.172 18.132 19.093 1.00 10.00 C ATOM 1069 C LYS A 76 2.589 17.691 19.470 1.00 10.00 C ATOM 1070 O LYS A 76 3.532 18.451 19.368 1.00 10.00 O ATOM 1071 CB LYS A 76 0.627 19.122 20.123 1.00 25.00 C ATOM 1072 CG LYS A 76 0.540 20.513 19.495 1.00 25.00 C ATOM 1073 CD LYS A 76 -0.725 20.608 18.640 1.00 50.00 C ATOM 1074 CE LYS A 76 -1.421 21.945 18.904 1.00 50.00 C ATOM 1075 NZ LYS A 76 -2.878 21.638 18.829 1.00 50.00 N ATOM 0 H LYS A 76 -0.225 16.818 20.036 1.00 10.00 H new ATOM 0 HA LYS A 76 1.232 18.571 18.097 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.358 18.803 20.464 1.00 25.00 H new ATOM 0 HB3 LYS A 76 1.276 19.146 20.999 1.00 25.00 H new ATOM 0 HG2 LYS A 76 0.523 21.275 20.274 1.00 25.00 H new ATOM 0 HG3 LYS A 76 1.421 20.703 18.882 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -0.470 20.521 17.584 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -1.398 19.783 18.874 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -1.151 22.345 19.881 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -1.136 22.692 18.164 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -3.425 22.506 19.000 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -3.106 21.265 17.885 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -3.121 20.929 19.550 1.00 50.00 H new ATOM 1089 N GLU A 77 2.748 16.471 19.904 1.00 10.00 N ATOM 1090 CA GLU A 77 4.107 15.987 20.286 1.00 10.00 C ATOM 1091 C GLU A 77 4.036 14.539 20.781 1.00 10.00 C ATOM 1092 O GLU A 77 2.996 13.910 20.741 1.00 10.00 O ATOM 1093 CB GLU A 77 4.555 16.918 21.413 1.00 10.00 C ATOM 1094 CG GLU A 77 5.845 17.633 21.005 1.00 10.00 C ATOM 1095 CD GLU A 77 6.877 17.506 22.128 1.00 25.00 C ATOM 1096 OE1 GLU A 77 6.479 17.194 23.238 1.00 25.00 O ATOM 1097 OE2 GLU A 77 8.046 17.723 21.857 1.00 25.00 O ATOM 0 H GLU A 77 1.998 15.788 20.011 1.00 10.00 H new ATOM 0 HA GLU A 77 4.801 16.000 19.445 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.775 17.648 21.627 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.717 16.347 22.327 1.00 10.00 H new ATOM 0 HG2 GLU A 77 6.238 17.200 20.085 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.642 18.684 20.801 1.00 10.00 H new ATOM 1104 N GLY A 78 5.132 14.008 21.248 1.00 10.00 N ATOM 1105 CA GLY A 78 5.129 12.603 21.746 1.00 10.00 C ATOM 1106 C GLY A 78 4.732 11.659 20.610 1.00 10.00 C ATOM 1107 O GLY A 78 4.881 11.975 19.446 1.00 10.00 O ATOM 0 H GLY A 78 6.031 14.487 21.306 1.00 10.00 H new ATOM 0 HA2 GLY A 78 6.116 12.338 22.125 1.00 10.00 H new ATOM 0 HA3 GLY A 78 4.431 12.502 22.577 1.00 10.00 H new ATOM 1111 N GLU A 79 4.227 10.502 20.938 1.00 10.00 N ATOM 1112 CA GLU A 79 3.822 9.538 19.876 1.00 10.00 C ATOM 1113 C GLU A 79 2.845 8.505 20.445 1.00 10.00 C ATOM 1114 O GLU A 79 3.038 7.984 21.524 1.00 10.00 O ATOM 1115 CB GLU A 79 5.122 8.866 19.434 1.00 25.00 C ATOM 1116 CG GLU A 79 5.600 7.908 20.526 1.00 25.00 C ATOM 1117 CD GLU A 79 6.892 7.224 20.072 1.00 50.00 C ATOM 1118 OE1 GLU A 79 7.540 7.756 19.186 1.00 50.00 O ATOM 1119 OE2 GLU A 79 7.209 6.180 20.618 1.00 50.00 O ATOM 0 H GLU A 79 4.077 10.182 21.895 1.00 10.00 H new ATOM 0 HA GLU A 79 3.315 10.027 19.044 1.00 10.00 H new ATOM 0 HB2 GLU A 79 4.964 8.322 18.503 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.885 9.620 19.238 1.00 25.00 H new ATOM 0 HG2 GLU A 79 5.771 8.453 21.454 1.00 25.00 H new ATOM 0 HG3 GLU A 79 4.833 7.161 20.731 1.00 25.00 H new ATOM 1126 N ILE A 80 1.796 8.208 19.727 1.00 10.00 N ATOM 1127 CA ILE A 80 0.806 7.211 20.228 1.00 10.00 C ATOM 1128 C ILE A 80 0.919 5.908 19.434 1.00 10.00 C ATOM 1129 O ILE A 80 1.166 5.913 18.244 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.561 7.857 19.998 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.642 9.177 20.766 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.659 6.912 20.489 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -1.675 10.089 20.103 1.00 50.00 C ATOM 0 H ILE A 80 1.581 8.612 18.815 1.00 10.00 H new ATOM 0 HA ILE A 80 0.969 6.962 21.276 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.696 8.051 18.934 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -0.919 8.990 21.804 1.00 10.00 H new ATOM 0 HG13 ILE A 80 0.333 9.663 20.779 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.634 7.371 20.326 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.603 5.973 19.939 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -1.523 6.718 21.553 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -1.734 11.030 20.650 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -1.379 10.286 19.073 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -2.650 9.602 20.113 1.00 50.00 H new ATOM 1145 N ASP A 81 0.737 4.789 20.081 1.00 10.00 N ATOM 1146 CA ASP A 81 0.828 3.488 19.361 1.00 10.00 C ATOM 1147 C ASP A 81 -0.538 3.120 18.776 1.00 10.00 C ATOM 1148 O ASP A 81 -1.560 3.615 19.209 1.00 10.00 O ATOM 1149 CB ASP A 81 1.250 2.476 20.426 1.00 10.00 C ATOM 1150 CG ASP A 81 1.530 1.125 19.763 1.00 10.00 C ATOM 1151 OD1 ASP A 81 1.921 1.125 18.608 1.00 10.00 O ATOM 1152 OD2 ASP A 81 1.350 0.115 20.423 1.00 10.00 O ATOM 0 H ASP A 81 0.529 4.720 21.077 1.00 10.00 H new ATOM 0 HA ASP A 81 1.533 3.518 18.530 1.00 10.00 H new ATOM 0 HB2 ASP A 81 2.140 2.829 20.946 1.00 10.00 H new ATOM 0 HB3 ASP A 81 0.464 2.370 21.174 1.00 10.00 H new ATOM 1157 N MET A 82 -0.567 2.260 17.795 1.00 12.50 N ATOM 1158 CA MET A 82 -1.873 1.871 17.188 1.00 12.50 C ATOM 1159 C MET A 82 -1.763 0.499 16.517 1.00 12.50 C ATOM 1160 O MET A 82 -0.683 0.015 16.242 1.00 12.50 O ATOM 1161 CB MET A 82 -2.161 2.953 16.146 1.00 12.50 C ATOM 1162 CG MET A 82 -1.087 2.912 15.058 1.00 12.50 C ATOM 1163 SD MET A 82 -0.212 4.496 15.013 1.00 12.50 S ATOM 1164 CE MET A 82 -0.823 5.048 13.402 1.00 50.00 C ATOM 0 H MET A 82 0.254 1.811 17.388 1.00 12.50 H new ATOM 0 HA MET A 82 -2.666 1.796 17.932 1.00 12.50 H new ATOM 0 HB2 MET A 82 -3.146 2.796 15.706 1.00 12.50 H new ATOM 0 HB3 MET A 82 -2.176 3.934 16.620 1.00 12.50 H new ATOM 0 HG2 MET A 82 -0.385 2.102 15.256 1.00 12.50 H new ATOM 0 HG3 MET A 82 -1.543 2.709 14.089 1.00 12.50 H new ATOM 0 HE1 MET A 82 -0.401 6.026 13.168 1.00 50.00 H new ATOM 0 HE2 MET A 82 -0.526 4.332 12.636 1.00 50.00 H new ATOM 0 HE3 MET A 82 -1.910 5.119 13.430 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.875 -0.131 16.251 1.00 50.00 N ATOM 1175 CA ASP A 83 -2.836 -1.470 15.597 1.00 50.00 C ATOM 1176 C ASP A 83 -2.578 -1.316 14.095 1.00 50.00 C ATOM 1177 O ASP A 83 -2.898 -0.306 13.501 1.00 50.00 O ATOM 1178 CB ASP A 83 -4.221 -2.071 15.846 1.00 50.00 C ATOM 1179 CG ASP A 83 -4.073 -3.412 16.568 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -3.305 -4.234 16.098 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -4.734 -3.594 17.577 1.00 50.00 O ATOM 0 H ASP A 83 -3.809 0.224 16.458 1.00 50.00 H new ATOM 0 HA ASP A 83 -2.041 -2.102 15.992 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -4.823 -1.388 16.445 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -4.744 -2.211 14.900 1.00 50.00 H new ATOM 1275 N SER A 89 -2.400 8.406 6.583 1.00 12.50 N ATOM 1276 CA SER A 89 -1.235 8.791 5.736 1.00 12.50 C ATOM 1277 C SER A 89 -0.212 9.571 6.566 1.00 12.50 C ATOM 1278 O SER A 89 -0.559 10.455 7.324 1.00 12.50 O ATOM 1279 CB SER A 89 -1.818 9.679 4.635 1.00 12.50 C ATOM 1280 OG SER A 89 -3.226 9.505 4.582 1.00 12.50 O ATOM 0 HA SER A 89 -0.719 7.922 5.328 1.00 12.50 H new ATOM 0 HB2 SER A 89 -1.577 10.724 4.830 1.00 12.50 H new ATOM 0 HB3 SER A 89 -1.373 9.424 3.673 1.00 12.50 H new ATOM 0 HG SER A 89 -3.558 9.251 5.468 1.00 12.50 H new ATOM 1286 N ASP A 90 1.047 9.253 6.428 1.00 10.00 N ATOM 1287 CA ASP A 90 2.086 9.981 7.210 1.00 10.00 C ATOM 1288 C ASP A 90 1.912 11.489 7.036 1.00 10.00 C ATOM 1289 O ASP A 90 2.006 12.249 7.980 1.00 10.00 O ATOM 1290 CB ASP A 90 3.422 9.521 6.625 1.00 10.00 C ATOM 1291 CG ASP A 90 4.558 9.940 7.561 1.00 10.00 C ATOM 1292 OD1 ASP A 90 4.286 10.672 8.499 1.00 10.00 O ATOM 1293 OD2 ASP A 90 5.679 9.521 7.325 1.00 10.00 O ATOM 0 H ASP A 90 1.400 8.523 5.809 1.00 10.00 H new ATOM 0 HA ASP A 90 2.021 9.774 8.278 1.00 10.00 H new ATOM 0 HB2 ASP A 90 3.422 8.439 6.497 1.00 10.00 H new ATOM 0 HB3 ASP A 90 3.569 9.959 5.638 1.00 10.00 H new ATOM 1298 N GLU A 91 1.651 11.927 5.837 1.00 12.50 N ATOM 1299 CA GLU A 91 1.461 13.386 5.605 1.00 12.50 C ATOM 1300 C GLU A 91 0.387 13.916 6.555 1.00 12.50 C ATOM 1301 O GLU A 91 0.401 15.066 6.948 1.00 12.50 O ATOM 1302 CB GLU A 91 1.002 13.504 4.151 1.00 12.50 C ATOM 1303 CG GLU A 91 1.872 14.533 3.425 1.00 12.50 C ATOM 1304 CD GLU A 91 1.071 15.818 3.208 1.00 50.00 C ATOM 1305 OE1 GLU A 91 -0.020 15.911 3.749 1.00 50.00 O ATOM 1306 OE2 GLU A 91 1.560 16.687 2.506 1.00 50.00 O ATOM 0 H GLU A 91 1.561 11.339 5.008 1.00 12.50 H new ATOM 0 HA GLU A 91 2.369 13.962 5.785 1.00 12.50 H new ATOM 0 HB2 GLU A 91 1.075 12.536 3.656 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -0.045 13.804 4.112 1.00 12.50 H new ATOM 0 HG2 GLU A 91 2.767 14.745 4.009 1.00 12.50 H new ATOM 0 HG3 GLU A 91 2.204 14.133 2.467 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.537 13.078 6.935 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.608 13.521 7.870 1.00 10.00 C ATOM 1315 C GLU A 92 -1.019 13.732 9.265 1.00 10.00 C ATOM 1316 O GLU A 92 -1.359 14.667 9.962 1.00 10.00 O ATOM 1317 CB GLU A 92 -2.622 12.377 7.884 1.00 50.00 C ATOM 1318 CG GLU A 92 -4.007 12.927 8.229 1.00 50.00 C ATOM 1319 CD GLU A 92 -4.595 13.631 7.005 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -3.821 14.096 6.184 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -5.810 13.693 6.908 1.00 50.00 O ATOM 0 H GLU A 92 -0.597 12.104 6.638 1.00 10.00 H new ATOM 0 HA GLU A 92 -2.065 14.462 7.565 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -2.646 11.886 6.911 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -2.326 11.623 8.614 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -4.663 12.117 8.546 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -3.936 13.624 9.064 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.129 12.868 9.672 1.00 10.00 N ATOM 1329 CA VAL A 93 0.493 13.013 11.018 1.00 10.00 C ATOM 1330 C VAL A 93 1.602 14.065 10.967 1.00 10.00 C ATOM 1331 O VAL A 93 1.999 14.616 11.975 1.00 10.00 O ATOM 1332 CB VAL A 93 1.070 11.633 11.334 1.00 10.00 C ATOM 1333 CG1 VAL A 93 1.786 11.676 12.685 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -0.065 10.608 11.389 1.00 10.00 C ATOM 0 H VAL A 93 0.194 12.067 9.129 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.219 13.337 11.777 1.00 10.00 H new ATOM 0 HB VAL A 93 1.780 11.348 10.557 1.00 10.00 H new ATOM 0 HG11 VAL A 93 2.197 10.692 12.910 1.00 10.00 H new ATOM 0 HG12 VAL A 93 2.594 12.407 12.646 1.00 10.00 H new ATOM 0 HG13 VAL A 93 1.078 11.960 13.463 1.00 10.00 H new ATOM 0 HG21 VAL A 93 0.345 9.623 11.614 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -0.775 10.892 12.166 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -0.575 10.577 10.426 1.00 10.00 H new ATOM 1344 N GLU A 94 2.103 14.352 9.795 1.00 12.50 N ATOM 1345 CA GLU A 94 3.184 15.372 9.675 1.00 12.50 C ATOM 1346 C GLU A 94 2.579 16.741 9.351 1.00 12.50 C ATOM 1347 O GLU A 94 3.053 17.763 9.807 1.00 12.50 O ATOM 1348 CB GLU A 94 4.063 14.885 8.521 1.00 12.50 C ATOM 1349 CG GLU A 94 5.384 14.353 9.078 1.00 12.50 C ATOM 1350 CD GLU A 94 6.105 13.545 7.997 1.00 12.50 C ATOM 1351 OE1 GLU A 94 5.755 13.697 6.838 1.00 12.50 O ATOM 1352 OE2 GLU A 94 6.997 12.789 8.346 1.00 12.50 O ATOM 0 H GLU A 94 1.810 13.924 8.916 1.00 12.50 H new ATOM 0 HA GLU A 94 3.753 15.485 10.598 1.00 12.50 H new ATOM 0 HB2 GLU A 94 3.549 14.102 7.963 1.00 12.50 H new ATOM 0 HB3 GLU A 94 4.252 15.701 7.824 1.00 12.50 H new ATOM 0 HG2 GLU A 94 6.012 15.181 9.408 1.00 12.50 H new ATOM 0 HG3 GLU A 94 5.197 13.727 9.951 1.00 12.50 H new ATOM 1359 N GLU A 95 1.535 16.767 8.569 1.00 12.50 N ATOM 1360 CA GLU A 95 0.898 18.069 8.216 1.00 12.50 C ATOM 1361 C GLU A 95 -0.400 18.256 9.008 1.00 12.50 C ATOM 1362 O GLU A 95 -0.851 19.363 9.225 1.00 12.50 O ATOM 1363 CB GLU A 95 0.605 17.973 6.719 1.00 25.00 C ATOM 1364 CG GLU A 95 0.998 19.287 6.038 1.00 25.00 C ATOM 1365 CD GLU A 95 -0.264 20.075 5.682 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -1.085 20.270 6.563 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -0.387 20.470 4.534 1.00 50.00 O ATOM 0 H GLU A 95 1.095 15.943 8.159 1.00 12.50 H new ATOM 0 HA GLU A 95 1.538 18.919 8.452 1.00 12.50 H new ATOM 0 HB2 GLU A 95 1.160 17.144 6.281 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.453 17.769 6.557 1.00 25.00 H new ATOM 0 HG2 GLU A 95 1.633 19.876 6.700 1.00 25.00 H new ATOM 0 HG3 GLU A 95 1.578 19.083 5.138 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.006 17.182 9.439 1.00 25.00 N ATOM 1375 CA LYS A 96 -2.274 17.304 10.215 1.00 25.00 C ATOM 1376 C LYS A 96 -2.094 16.724 11.622 1.00 25.00 C ATOM 1377 O LYS A 96 -2.978 16.792 12.451 1.00 25.00 O ATOM 1378 CB LYS A 96 -3.302 16.495 9.426 1.00 25.00 C ATOM 1379 CG LYS A 96 -4.401 17.428 8.915 1.00 25.00 C ATOM 1380 CD LYS A 96 -3.812 18.394 7.883 1.00 25.00 C ATOM 1381 CE LYS A 96 -4.919 18.874 6.944 1.00 25.00 C ATOM 1382 NZ LYS A 96 -4.469 18.462 5.584 1.00 25.00 N ATOM 0 H LYS A 96 -0.679 16.228 9.288 1.00 25.00 H new ATOM 0 HA LYS A 96 -2.583 18.342 10.339 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -2.819 15.991 8.589 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -3.734 15.719 10.059 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -5.207 16.847 8.466 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -4.834 17.986 9.745 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -3.353 19.245 8.386 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -3.026 17.899 7.313 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -5.877 18.421 7.198 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -5.051 19.954 7.007 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -5.176 18.756 4.880 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -3.558 18.914 5.368 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -4.359 17.428 5.553 1.00 25.00 H new ATOM 1396 N ASP A 97 -0.952 16.156 11.897 1.00 10.00 N ATOM 1397 CA ASP A 97 -0.713 15.575 13.252 1.00 10.00 C ATOM 1398 C ASP A 97 -1.890 14.693 13.668 1.00 10.00 C ATOM 1399 O ASP A 97 -2.181 14.544 14.838 1.00 10.00 O ATOM 1400 CB ASP A 97 -0.601 16.773 14.200 1.00 50.00 C ATOM 1401 CG ASP A 97 0.117 17.934 13.505 1.00 50.00 C ATOM 1402 OD1 ASP A 97 1.320 17.841 13.331 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -0.551 18.895 13.159 1.00 50.00 O ATOM 0 H ASP A 97 -0.174 16.068 11.244 1.00 10.00 H new ATOM 0 HA ASP A 97 0.183 14.954 13.269 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -1.595 17.089 14.517 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -0.056 16.485 15.099 1.00 50.00 H new ATOM 1408 N VAL A 98 -2.574 14.110 12.726 1.00 10.00 N ATOM 1409 CA VAL A 98 -3.732 13.245 13.083 1.00 10.00 C ATOM 1410 C VAL A 98 -3.241 11.893 13.606 1.00 10.00 C ATOM 1411 O VAL A 98 -2.224 11.384 13.179 1.00 10.00 O ATOM 1412 CB VAL A 98 -4.516 13.072 11.780 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -5.479 11.890 11.913 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -5.311 14.347 11.493 1.00 50.00 C ATOM 0 H VAL A 98 -2.383 14.194 11.728 1.00 10.00 H new ATOM 0 HA VAL A 98 -4.348 13.681 13.870 1.00 10.00 H new ATOM 0 HB VAL A 98 -3.822 12.882 10.961 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -6.036 11.768 10.984 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -4.913 10.981 12.118 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -6.174 12.077 12.731 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -5.870 14.226 10.565 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.004 14.536 12.313 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -4.626 15.189 11.396 1.00 50.00 H new ATOM 1424 N ARG A 99 -3.954 11.310 14.531 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.525 9.995 15.086 1.00 10.00 C ATOM 1426 C ARG A 99 -4.728 9.239 15.656 1.00 10.00 C ATOM 1427 O ARG A 99 -5.766 9.815 15.920 1.00 10.00 O ATOM 1428 CB ARG A 99 -2.538 10.341 16.200 1.00 50.00 C ATOM 1429 CG ARG A 99 -1.113 10.047 15.732 1.00 50.00 C ATOM 1430 CD ARG A 99 -0.159 10.134 16.924 1.00 50.00 C ATOM 1431 NE ARG A 99 1.190 10.317 16.319 1.00 50.00 N ATOM 1432 CZ ARG A 99 1.763 9.325 15.696 1.00 50.00 C ATOM 1433 NH1 ARG A 99 2.767 8.702 16.251 1.00 50.00 N ATOM 1434 NH2 ARG A 99 1.333 8.955 14.522 1.00 50.00 N ATOM 0 H ARG A 99 -4.815 11.688 14.926 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.079 9.354 14.326 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.633 11.393 16.470 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -2.765 9.760 17.094 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -1.063 9.055 15.284 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -0.817 10.760 14.962 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -0.416 10.968 17.577 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -0.201 9.230 17.531 1.00 50.00 H new ATOM 0 HE ARG A 99 1.665 11.217 16.392 1.00 50.00 H new ATOM 0 HH11 ARG A 99 3.102 8.991 17.170 1.00 50.00 H new ATOM 0 HH12 ARG A 99 3.217 7.926 15.766 1.00 50.00 H new ATOM 0 HH21 ARG A 99 0.548 9.442 14.090 1.00 50.00 H new ATOM 0 HH22 ARG A 99 1.782 8.179 14.036 1.00 50.00 H new ATOM 1448 N LEU A 100 -4.596 7.956 15.853 1.00 10.00 N ATOM 1449 CA LEU A 100 -5.729 7.165 16.412 1.00 10.00 C ATOM 1450 C LEU A 100 -5.712 7.236 17.941 1.00 10.00 C ATOM 1451 O LEU A 100 -4.696 7.015 18.570 1.00 10.00 O ATOM 1452 CB LEU A 100 -5.482 5.732 15.937 1.00 10.00 C ATOM 1453 CG LEU A 100 -6.589 5.319 14.965 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -6.149 4.075 14.191 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -7.865 5.007 15.749 1.00 10.00 C ATOM 0 H LEU A 100 -3.752 7.421 15.651 1.00 10.00 H new ATOM 0 HA LEU A 100 -6.699 7.539 16.086 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.510 5.662 15.449 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -5.460 5.053 16.790 1.00 10.00 H new ATOM 0 HG LEU A 100 -6.782 6.133 14.266 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -6.937 3.780 13.498 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -5.239 4.297 13.633 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -5.957 3.261 14.890 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -8.654 4.713 15.057 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -7.673 4.193 16.448 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -8.178 5.893 16.301 1.00 10.00 H new ATOM 1467 N THR A 101 -6.828 7.547 18.544 1.00 10.00 N ATOM 1468 CA THR A 101 -6.868 7.637 20.033 1.00 10.00 C ATOM 1469 C THR A 101 -7.968 6.729 20.592 1.00 10.00 C ATOM 1470 O THR A 101 -8.703 7.105 21.483 1.00 10.00 O ATOM 1471 CB THR A 101 -7.182 9.103 20.331 1.00 10.00 C ATOM 1472 OG1 THR A 101 -7.929 9.652 19.255 1.00 10.00 O ATOM 1473 CG2 THR A 101 -5.876 9.882 20.498 1.00 10.00 C ATOM 0 H THR A 101 -7.711 7.742 18.072 1.00 10.00 H new ATOM 0 HA THR A 101 -5.932 7.317 20.490 1.00 10.00 H new ATOM 0 HB THR A 101 -7.763 9.172 21.250 1.00 10.00 H new ATOM 0 HG1 THR A 101 -8.133 10.592 19.444 1.00 10.00 H new ATOM 0 HG21 THR A 101 -6.100 10.927 20.710 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.303 9.459 21.323 1.00 10.00 H new ATOM 0 HG23 THR A 101 -5.293 9.816 19.580 1.00 10.00 H new ATOM 1481 N CYS A 102 -8.083 5.536 20.080 1.00 10.00 N ATOM 1482 CA CYS A 102 -9.134 4.607 20.585 1.00 10.00 C ATOM 1483 C CYS A 102 -8.626 3.164 20.545 1.00 10.00 C ATOM 1484 O CYS A 102 -8.683 2.449 21.525 1.00 10.00 O ATOM 1485 CB CYS A 102 -10.317 4.795 19.637 1.00 10.00 C ATOM 1486 SG CYS A 102 -11.111 6.385 19.982 1.00 10.00 S ATOM 0 H CYS A 102 -7.496 5.163 19.334 1.00 10.00 H new ATOM 0 HA CYS A 102 -9.409 4.813 21.619 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -9.977 4.762 18.602 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -11.033 3.983 19.764 1.00 10.00 H new ATOM 0 HG CYS A 102 -10.336 7.101 20.742 1.00 10.00 H new ATOM 1491 N ILE A 103 -8.121 2.732 19.423 1.00 10.00 N ATOM 1492 CA ILE A 103 -7.604 1.337 19.328 1.00 10.00 C ATOM 1493 C ILE A 103 -6.085 1.330 19.517 1.00 10.00 C ATOM 1494 O ILE A 103 -5.436 0.314 19.374 1.00 10.00 O ATOM 1495 CB ILE A 103 -7.975 0.868 17.922 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -7.529 -0.583 17.734 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -7.278 1.754 16.888 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -8.187 -1.162 16.479 1.00 50.00 C ATOM 0 H ILE A 103 -8.044 3.283 18.568 1.00 10.00 H new ATOM 0 HA ILE A 103 -8.025 0.685 20.094 1.00 10.00 H new ATOM 0 HB ILE A 103 -9.055 0.936 17.790 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -6.444 -0.632 17.644 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -7.803 -1.175 18.607 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -7.543 1.420 15.885 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -7.596 2.788 17.021 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -6.198 1.687 17.020 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -7.869 -2.196 16.345 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -9.271 -1.127 16.587 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -7.890 -0.576 15.609 1.00 50.00 H new ATOM 1510 N GLY A 104 -5.515 2.460 19.837 1.00 10.00 N ATOM 1511 CA GLY A 104 -4.039 2.524 20.038 1.00 10.00 C ATOM 1512 C GLY A 104 -3.740 2.956 21.475 1.00 10.00 C ATOM 1513 O GLY A 104 -4.631 3.287 22.232 1.00 10.00 O ATOM 0 H GLY A 104 -6.009 3.343 19.968 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -3.591 1.550 19.839 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -3.595 3.229 19.335 1.00 10.00 H new ATOM 1517 N SER A 105 -2.493 2.955 21.860 1.00 10.00 N ATOM 1518 CA SER A 105 -2.141 3.366 23.251 1.00 10.00 C ATOM 1519 C SER A 105 -0.995 4.383 23.232 1.00 10.00 C ATOM 1520 O SER A 105 -0.504 4.745 22.181 1.00 10.00 O ATOM 1521 CB SER A 105 -1.701 2.078 23.947 1.00 10.00 C ATOM 1522 OG SER A 105 -2.157 0.958 23.203 1.00 10.00 O ATOM 0 H SER A 105 -1.703 2.688 21.273 1.00 10.00 H new ATOM 0 HA SER A 105 -2.978 3.841 23.763 1.00 10.00 H new ATOM 0 HB2 SER A 105 -0.615 2.052 24.034 1.00 10.00 H new ATOM 0 HB3 SER A 105 -2.103 2.044 24.960 1.00 10.00 H new ATOM 0 HG SER A 105 -1.874 0.132 23.648 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.607 4.808 24.404 1.00 10.00 N ATOM 1529 CA PRO A 106 0.496 5.792 24.532 1.00 10.00 C ATOM 1530 C PRO A 106 1.841 5.121 24.235 1.00 10.00 C ATOM 1531 O PRO A 106 2.049 3.965 24.544 1.00 10.00 O ATOM 1532 CB PRO A 106 0.417 6.231 25.990 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.245 5.094 26.703 1.00 10.00 C ATOM 1534 CD PRO A 106 -1.152 4.414 25.709 1.00 10.00 C ATOM 0 HA PRO A 106 0.411 6.628 23.837 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.409 6.428 26.397 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -0.159 7.151 26.094 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.498 4.395 27.087 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -0.814 5.456 27.559 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -1.142 3.331 25.835 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -2.186 4.739 25.824 1.00 10.00 H new ATOM 1542 N ALA A 107 2.755 5.836 23.637 1.00 10.00 N ATOM 1543 CA ALA A 107 4.083 5.233 23.324 1.00 10.00 C ATOM 1544 C ALA A 107 5.209 6.158 23.793 1.00 10.00 C ATOM 1545 O ALA A 107 6.369 5.933 23.510 1.00 10.00 O ATOM 1546 CB ALA A 107 4.104 5.091 21.803 1.00 50.00 C ATOM 0 H ALA A 107 2.641 6.809 23.352 1.00 10.00 H new ATOM 0 HA ALA A 107 4.230 4.276 23.825 1.00 10.00 H new ATOM 0 HB1 ALA A 107 5.052 4.653 21.492 1.00 50.00 H new ATOM 0 HB2 ALA A 107 3.285 4.446 21.486 1.00 50.00 H new ATOM 0 HB3 ALA A 107 3.990 6.073 21.344 1.00 50.00 H new ATOM 1552 N ALA A 108 4.877 7.195 24.510 1.00 10.00 N ATOM 1553 CA ALA A 108 5.927 8.134 24.999 1.00 10.00 C ATOM 1554 C ALA A 108 5.569 8.639 26.399 1.00 10.00 C ATOM 1555 O ALA A 108 4.435 8.975 26.676 1.00 10.00 O ATOM 1556 CB ALA A 108 5.926 9.286 23.993 1.00 50.00 C ATOM 0 H ALA A 108 3.923 7.434 24.779 1.00 10.00 H new ATOM 0 HA ALA A 108 6.906 7.661 25.073 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.675 10.023 24.283 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.160 8.902 23.000 1.00 50.00 H new ATOM 0 HB3 ALA A 108 4.942 9.755 23.978 1.00 50.00 H new ATOM 1562 N ASP A 109 6.526 8.692 27.285 1.00 50.00 N ATOM 1563 CA ASP A 109 6.237 9.173 28.668 1.00 50.00 C ATOM 1564 C ASP A 109 5.322 10.399 28.621 1.00 50.00 C ATOM 1565 O ASP A 109 4.323 10.468 29.310 1.00 50.00 O ATOM 1566 CB ASP A 109 7.599 9.542 29.255 1.00 50.00 C ATOM 1567 CG ASP A 109 7.409 10.136 30.653 1.00 50.00 C ATOM 1568 OD1 ASP A 109 6.992 11.279 30.738 1.00 50.00 O ATOM 1569 OD2 ASP A 109 7.684 9.436 31.615 1.00 50.00 O ATOM 0 H ASP A 109 7.495 8.424 27.112 1.00 50.00 H new ATOM 0 HA ASP A 109 5.727 8.419 29.268 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.236 8.659 29.307 1.00 50.00 H new ATOM 0 HB3 ASP A 109 8.103 10.260 28.608 1.00 50.00 H new ATOM 1574 N GLU A 110 5.655 11.368 27.813 1.00 10.00 N ATOM 1575 CA GLU A 110 4.804 12.589 27.724 1.00 10.00 C ATOM 1576 C GLU A 110 4.412 12.856 26.268 1.00 10.00 C ATOM 1577 O GLU A 110 5.253 13.065 25.417 1.00 10.00 O ATOM 1578 CB GLU A 110 5.678 13.722 28.261 1.00 10.00 C ATOM 1579 CG GLU A 110 6.927 13.861 27.388 1.00 10.00 C ATOM 1580 CD GLU A 110 6.822 15.134 26.543 1.00 50.00 C ATOM 1581 OE1 GLU A 110 6.001 15.974 26.872 1.00 50.00 O ATOM 1582 OE2 GLU A 110 7.565 15.245 25.582 1.00 50.00 O ATOM 0 H GLU A 110 6.478 11.367 27.211 1.00 10.00 H new ATOM 0 HA GLU A 110 3.877 12.488 28.288 1.00 10.00 H new ATOM 0 HB2 GLU A 110 5.118 14.657 28.265 1.00 10.00 H new ATOM 0 HB3 GLU A 110 5.964 13.518 29.293 1.00 10.00 H new ATOM 0 HG2 GLU A 110 7.818 13.900 28.014 1.00 10.00 H new ATOM 0 HG3 GLU A 110 7.030 12.990 26.741 1.00 10.00 H new ATOM 1589 N VAL A 111 3.140 12.850 25.976 1.00 10.00 N ATOM 1590 CA VAL A 111 2.694 13.105 24.575 1.00 10.00 C ATOM 1591 C VAL A 111 1.636 14.211 24.553 1.00 10.00 C ATOM 1592 O VAL A 111 0.930 14.427 25.517 1.00 10.00 O ATOM 1593 CB VAL A 111 2.095 11.779 24.103 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.752 11.876 22.615 1.00 12.50 C ATOM 1595 CG2 VAL A 111 3.110 10.654 24.321 1.00 12.50 C ATOM 0 H VAL A 111 2.390 12.680 26.646 1.00 10.00 H new ATOM 0 HA VAL A 111 3.511 13.434 23.933 1.00 10.00 H new ATOM 0 HB VAL A 111 1.190 11.566 24.672 1.00 12.50 H new ATOM 0 HG11 VAL A 111 1.325 10.932 22.278 1.00 12.50 H new ATOM 0 HG12 VAL A 111 1.029 12.677 22.460 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.657 12.089 22.046 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.683 9.709 23.985 1.00 12.50 H new ATOM 0 HG22 VAL A 111 4.016 10.866 23.753 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.355 10.585 25.381 1.00 12.50 H new ATOM 1605 N LYS A 112 1.522 14.914 23.460 1.00 10.00 N ATOM 1606 CA LYS A 112 0.509 16.006 23.380 1.00 10.00 C ATOM 1607 C LYS A 112 -0.342 15.854 22.116 1.00 10.00 C ATOM 1608 O LYS A 112 0.150 15.505 21.062 1.00 10.00 O ATOM 1609 CB LYS A 112 1.324 17.299 23.329 1.00 25.00 C ATOM 1610 CG LYS A 112 2.030 17.508 24.670 1.00 25.00 C ATOM 1611 CD LYS A 112 3.091 18.600 24.524 1.00 25.00 C ATOM 1612 CE LYS A 112 4.055 18.534 25.711 1.00 25.00 C ATOM 1613 NZ LYS A 112 5.071 19.589 25.437 1.00 25.00 N ATOM 0 H LYS A 112 2.085 14.781 22.620 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.180 15.991 24.225 1.00 10.00 H new ATOM 0 HB2 LYS A 112 2.057 17.248 22.524 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.671 18.145 23.113 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.306 17.790 25.434 1.00 25.00 H new ATOM 0 HG3 LYS A 112 2.493 16.577 24.998 1.00 25.00 H new ATOM 0 HD2 LYS A 112 3.637 18.469 23.590 1.00 25.00 H new ATOM 0 HD3 LYS A 112 2.616 19.580 24.481 1.00 25.00 H new ATOM 0 HE2 LYS A 112 3.537 18.719 26.652 1.00 25.00 H new ATOM 0 HE3 LYS A 112 4.518 17.550 25.790 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 5.769 19.607 26.208 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 5.552 19.383 24.538 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 4.602 20.515 25.374 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.617 16.111 22.219 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.512 15.987 21.032 1.00 10.00 C ATOM 1629 C ILE A 113 -3.797 16.786 21.259 1.00 10.00 C ATOM 1630 O ILE A 113 -4.245 16.954 22.376 1.00 10.00 O ATOM 1631 CB ILE A 113 -2.820 14.494 20.920 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -3.865 14.269 19.826 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.363 13.985 22.256 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -3.778 12.826 19.327 1.00 10.00 C ATOM 0 H ILE A 113 -2.081 16.403 23.079 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.051 16.375 20.123 1.00 10.00 H new ATOM 0 HB ILE A 113 -1.908 13.953 20.668 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -4.863 14.471 20.215 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -3.698 14.961 19.001 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -3.583 12.920 22.177 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -2.619 14.145 23.036 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.275 14.526 22.508 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -4.523 12.665 18.547 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -2.783 12.640 18.922 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -3.966 12.143 20.155 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.398 17.275 20.210 1.00 10.00 N ATOM 1647 CA VAL A 114 -5.658 18.055 20.372 1.00 10.00 C ATOM 1648 C VAL A 114 -6.865 17.112 20.289 1.00 10.00 C ATOM 1649 O VAL A 114 -7.009 16.358 19.344 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.648 19.081 19.223 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -6.489 18.589 18.039 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -6.218 20.409 19.725 1.00 50.00 C ATOM 0 H VAL A 114 -4.072 17.169 19.249 1.00 10.00 H new ATOM 0 HA VAL A 114 -5.727 18.556 21.337 1.00 10.00 H new ATOM 0 HB VAL A 114 -4.619 19.213 18.888 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -6.465 19.332 17.242 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -6.082 17.648 17.670 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -7.519 18.437 18.362 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -6.212 21.137 18.914 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -7.241 20.259 20.070 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -5.608 20.779 20.549 1.00 50.00 H new ATOM 1662 N TYR A 115 -7.726 17.142 21.269 1.00 10.00 N ATOM 1663 CA TYR A 115 -8.916 16.244 21.245 1.00 10.00 C ATOM 1664 C TYR A 115 -10.114 16.975 20.615 1.00 10.00 C ATOM 1665 O TYR A 115 -10.152 18.188 20.556 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.152 15.871 22.725 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.426 16.489 23.260 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.418 17.803 23.742 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -11.612 15.744 23.273 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.596 18.373 24.236 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -12.791 16.316 23.767 1.00 50.00 C ATOM 1672 CZ TYR A 115 -12.783 17.631 24.247 1.00 50.00 C ATOM 1673 OH TYR A 115 -13.944 18.194 24.735 1.00 50.00 O ATOM 0 H TYR A 115 -7.657 17.749 22.086 1.00 10.00 H new ATOM 0 HA TYR A 115 -8.773 15.349 20.640 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -9.204 14.787 22.824 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.305 16.205 23.324 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.503 18.376 23.733 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -11.617 14.730 22.902 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.590 19.386 24.609 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -13.706 15.743 23.778 1.00 50.00 H new ATOM 0 HH TYR A 115 -14.606 17.490 24.898 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.083 16.241 20.136 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.272 16.883 19.498 1.00 10.00 C ATOM 1685 C ASN A 116 -11.837 17.700 18.279 1.00 10.00 C ATOM 1686 O ASN A 116 -12.358 18.766 18.016 1.00 10.00 O ATOM 1687 CB ASN A 116 -12.867 17.797 20.571 1.00 10.00 C ATOM 1688 CG ASN A 116 -13.997 17.064 21.295 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -14.937 17.679 21.757 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -13.948 15.764 21.413 1.00 10.00 N ATOM 0 H ASN A 116 -11.103 15.221 20.159 1.00 10.00 H new ATOM 0 HA ASN A 116 -12.997 16.147 19.150 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.095 18.091 21.282 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -13.246 18.712 20.115 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -14.698 15.267 21.893 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -13.159 15.246 21.026 1.00 10.00 H new ATOM 1697 N ALA A 117 -10.886 17.210 17.533 1.00 10.00 N ATOM 1698 CA ALA A 117 -10.418 17.960 16.331 1.00 10.00 C ATOM 1699 C ALA A 117 -11.552 18.091 15.309 1.00 10.00 C ATOM 1700 O ALA A 117 -11.463 18.852 14.366 1.00 10.00 O ATOM 1701 CB ALA A 117 -9.276 17.120 15.759 1.00 50.00 C ATOM 0 H ALA A 117 -10.412 16.323 17.703 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.097 18.972 16.578 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -8.877 17.607 14.869 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -8.487 17.023 16.505 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -9.649 16.130 15.495 1.00 50.00 H new ATOM 1707 N LYS A 118 -12.618 17.360 15.488 1.00 12.50 N ATOM 1708 CA LYS A 118 -13.752 17.450 14.523 1.00 12.50 C ATOM 1709 C LYS A 118 -14.133 18.916 14.293 1.00 12.50 C ATOM 1710 O LYS A 118 -14.736 19.262 13.297 1.00 12.50 O ATOM 1711 CB LYS A 118 -14.903 16.693 15.186 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.284 17.386 16.495 1.00 12.50 C ATOM 1713 CD LYS A 118 -16.696 16.963 16.904 1.00 12.50 C ATOM 1714 CE LYS A 118 -17.684 18.081 16.563 1.00 50.00 C ATOM 1715 NZ LYS A 118 -18.571 18.182 17.755 1.00 50.00 N ATOM 0 H LYS A 118 -12.753 16.706 16.259 1.00 12.50 H new ATOM 0 HA LYS A 118 -13.499 17.030 13.549 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -15.763 16.659 14.517 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -14.609 15.661 15.381 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -14.573 17.123 17.278 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -15.238 18.468 16.373 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -16.976 16.046 16.387 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -16.728 16.749 17.972 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -17.167 19.022 16.374 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -18.254 17.845 15.665 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -19.014 19.123 17.780 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -19.310 17.453 17.700 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -18.009 18.041 18.619 1.00 50.00 H new ATOM 1726 N HIS A 119 -13.784 19.777 15.209 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.125 21.220 15.047 1.00 50.00 C ATOM 1728 C HIS A 119 -13.282 21.845 13.931 1.00 50.00 C ATOM 1729 O HIS A 119 -13.623 22.876 13.387 1.00 50.00 O ATOM 1730 CB HIS A 119 -13.789 21.857 16.395 1.00 50.00 C ATOM 1731 CG HIS A 119 -14.496 21.108 17.492 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -15.850 20.818 17.432 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -14.052 20.581 18.681 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -16.172 20.145 18.552 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -15.112 19.974 19.348 1.00 50.00 N ATOM 0 H HIS A 119 -13.277 19.544 16.063 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.169 21.369 14.773 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -12.712 21.836 16.561 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -14.092 22.904 16.401 1.00 50.00 H new ATOM 0 HD1 HIS A 119 -16.487 21.069 16.676 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -13.036 20.630 19.043 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -17.165 19.787 18.780 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.182 21.230 13.585 1.00 12.50 N ATOM 1744 CA LEU A 120 -11.320 21.793 12.505 1.00 12.50 C ATOM 1745 C LEU A 120 -12.182 22.290 11.342 1.00 12.50 C ATOM 1746 O LEU A 120 -13.106 21.628 10.913 1.00 12.50 O ATOM 1747 CB LEU A 120 -10.435 20.630 12.055 1.00 12.50 C ATOM 1748 CG LEU A 120 -8.982 21.100 11.969 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -8.063 20.020 12.545 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -8.613 21.354 10.507 1.00 12.50 C ATOM 0 H LEU A 120 -11.844 20.363 14.003 1.00 12.50 H new ATOM 0 HA LEU A 120 -10.732 22.643 12.850 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -10.520 19.801 12.758 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -10.767 20.260 11.085 1.00 12.50 H new ATOM 0 HG LEU A 120 -8.864 22.022 12.539 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -7.027 20.354 12.484 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -8.325 19.837 13.587 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -8.182 19.099 11.974 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -7.578 21.689 10.446 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -8.731 20.433 9.937 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -9.268 22.122 10.095 1.00 12.50 H new